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Magnesium in PDB 5ej8: Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min

Enzymatic activity of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min

All present enzymatic activity of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min:
2.2.1.9;

Protein crystallography data

The structure of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min, PDB code: 5ej8 was solved by H.G.Song, C.Dong, Y.Z.Chen, Y.R.Sun, Z.H.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.65 / 1.34
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.660, 90.760, 169.340, 83.25, 76.03, 64.32
R / Rfree (%) 13.3 / 16.4

Other elements in 5ej8:

The structure of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min also contains other interesting chemical elements:

Manganese (Mn) 8 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Magnesium atom in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min (pdb code 5ej8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 15 binding sites of Magnesium where determined in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min, PDB code: 5ej8:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 15 in 5ej8

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Magnesium binding site 1 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg603

b:6.7
occ:0.45
MN A:MN602 0.3 11.1 0.6
OD1 A:ASP442 2.0 9.6 1.0
O A:HOH901 2.0 9.7 1.0
O1A A:TD6601 2.1 9.0 1.0
OD1 A:ASN469 2.1 9.2 1.0
O A:GLY471 2.2 11.7 1.0
O3B A:TD6601 2.3 9.1 1.0
H A:ASP442 2.9 10.6 1.0
CG A:ASP442 3.0 9.1 1.0
CG A:ASN469 3.1 9.8 1.0
HD21 A:ASN469 3.2 12.1 1.0
PA A:TD6601 3.3 8.8 1.0
H A:ASN469 3.4 12.1 1.0
PB A:TD6601 3.4 9.5 1.0
C A:GLY471 3.4 11.5 1.0
O3A A:TD6601 3.4 8.6 1.0
ND2 A:ASN469 3.5 10.1 1.0
OD2 A:ASP442 3.6 10.4 1.0
H A:GLN473 3.6 11.1 1.0
H A:GLY471 3.6 13.5 1.0
HA2 A:GLY472 3.6 10.4 1.0
H A:LEU443 3.6 9.8 1.0
N A:ASP442 3.7 8.8 1.0
HA3 A:GLY441 3.9 12.6 1.0
HG2 A:GLN473 4.1 12.9 1.0
N A:GLY471 4.1 11.3 1.0
O A:VAL467 4.1 10.3 1.0
HG A:LEU443 4.2 12.0 1.0
CB A:ASP442 4.2 8.0 1.0
N A:ASN469 4.2 10.1 1.0
O A:HOH796 4.2 12.0 1.0
O7 A:TD6601 4.2 9.3 1.0
N A:GLY472 4.3 8.4 1.0
CA A:GLY472 4.3 8.6 1.0
HD22 A:ASN469 4.4 12.1 1.0
HA2 A:GLY441 4.4 12.6 1.0
N A:GLN473 4.4 9.3 1.0
O2A A:TD6601 4.4 9.8 1.0
CA A:GLY471 4.4 11.0 1.0
O2B A:TD6601 4.4 10.5 1.0
H A:ASN470 4.4 12.5 1.0
CB A:ASN469 4.4 11.7 1.0
CA A:ASP442 4.4 8.2 1.0
N A:LEU443 4.4 8.1 1.0
HB3 A:ASP442 4.4 9.7 1.0
O1B A:TD6601 4.5 10.5 1.0
CA A:GLY441 4.5 10.5 1.0
HA A:ASN468 4.5 12.0 1.0
C A:GLY441 4.5 9.1 1.0
N A:ASN470 4.6 10.4 1.0
C A:ASN469 4.6 10.4 1.0
CA A:ASN469 4.6 11.1 1.0
HB2 A:GLN473 4.7 12.7 1.0
HA2 A:GLY471 4.8 13.2 1.0
CG A:GLN473 4.9 10.7 1.0
C A:GLY472 4.9 8.8 1.0
HB3 A:ASN469 4.9 14.0 1.0
HB2 A:ASP442 5.0 9.7 1.0
C A:ASP442 5.0 8.1 1.0
HG3 A:GLN473 5.0 12.9 1.0

Magnesium binding site 2 out of 15 in 5ej8

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Magnesium binding site 2 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg607

b:29.6
occ:1.00
O A:HOH718 2.0 27.0 1.0
O A:HOH914 2.1 24.4 1.0
O A:HOH1137 2.1 27.0 1.0
O A:HOH828 2.2 32.7 1.0
O A:HOH1016 2.3 42.3 1.0
OD2 A:ASP311 2.3 15.3 0.6
HZ1 A:LYS70 2.5 65.1 1.0
NZ A:LYS70 3.1 54.3 1.0
HZ2 A:LYS70 3.1 65.1 1.0
HZ3 A:LYS70 3.1 65.1 1.0
CG A:ASP311 3.3 14.4 0.6
OD1 A:ASP311 3.5 16.1 0.6
O A:HOH857 3.5 15.7 1.0
O A:HOH727 3.7 23.9 1.0
O A:HOH1253 3.9 37.0 1.0
O A:HOH1242 3.9 21.7 1.0
O A:HOH708 3.9 37.0 1.0
O A:HOH707 4.0 31.9 1.0
O A:HOH740 4.2 19.8 1.0
OE1 A:GLU233 4.4 12.6 1.0
HB2 A:ASP311 4.4 15.3 0.5
HB3 A:SER230 4.5 13.1 1.0
CE A:LYS70 4.5 43.3 1.0
CB A:ASP311 4.6 13.4 0.6
OE2 A:GLU233 4.7 18.5 1.0
HB3 A:ASP311 4.7 15.3 0.5
H A:SER230 4.7 10.8 1.0
HE3 A:LYS70 4.7 52.0 1.0
HA A:MET229 4.7 10.3 1.0
HB3 A:ASP311 4.8 16.0 0.6
HE2 A:LYS70 4.8 52.0 1.0
HB2 A:ASP311 4.9 16.0 0.6
CD A:GLU233 5.0 14.1 1.0

Magnesium binding site 3 out of 15 in 5ej8

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Magnesium binding site 3 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg604

b:2.0
occ:0.36
MN B:MN603 0.0 16.3 0.6
O B:GLY471 2.1 10.9 1.0
OD1 B:ASP442 2.1 10.5 1.0
O1A B:TD6602 2.1 11.0 1.0
OD1 B:ASN469 2.1 10.7 1.0
O1B B:TD6602 2.1 9.7 1.0
O B:HOH794 2.2 10.7 1.0
CG B:ASN469 3.1 10.0 1.0
H B:ASP442 3.1 12.4 1.0
HD21 B:ASN469 3.1 12.1 1.0
CG B:ASP442 3.1 10.3 1.0
C B:GLY471 3.3 10.0 1.0
PA B:TD6602 3.3 9.5 1.0
PB B:TD6602 3.4 9.8 1.0
H B:GLN473 3.4 12.5 1.0
O3A B:TD6602 3.4 11.4 1.0
H B:ASN469 3.4 11.8 1.0
ND2 B:ASN469 3.5 10.1 1.0
HA2 B:GLY472 3.5 12.7 1.0
H B:GLY471 3.5 12.3 1.0
OD2 B:ASP442 3.6 10.8 1.0
H B:LEU443 3.7 10.7 1.0
N B:ASP442 3.9 10.3 1.0
HG2 B:GLN473 3.9 15.1 1.0
N B:GLY471 4.0 10.2 1.0
HA3 B:GLY441 4.0 12.2 1.0
HG B:LEU443 4.1 13.9 1.0
N B:GLY472 4.1 10.1 1.0
O7 B:TD6602 4.1 9.9 1.0
N B:GLN473 4.2 10.4 1.0
CA B:GLY472 4.2 10.6 1.0
CA B:GLY471 4.2 10.3 1.0
N B:ASN469 4.2 9.8 1.0
O B:HOH802 4.3 12.0 1.0
O B:VAL467 4.3 10.9 1.0
HD22 B:ASN469 4.3 12.1 1.0
CB B:ASP442 4.3 10.7 1.0
O3B B:TD6602 4.3 10.1 1.0
O2B B:TD6602 4.4 10.3 1.0
CB B:ASN469 4.4 10.4 1.0
O2A B:TD6602 4.4 12.5 1.0
H B:ASN470 4.5 13.1 1.0
N B:LEU443 4.5 8.9 1.0
C B:ASN469 4.6 11.1 1.0
HA2 B:GLY441 4.6 12.2 1.0
N B:ASN470 4.6 10.9 1.0
CA B:ASP442 4.6 10.8 1.0
HB3 B:ASP442 4.6 12.8 1.0
CA B:ASN469 4.6 10.8 1.0
HB2 B:GLN473 4.6 13.4 1.0
CA B:GLY441 4.6 10.2 1.0
HA B:ASN468 4.7 13.0 1.0
C B:GLY441 4.7 8.8 1.0
HA2 B:GLY471 4.7 12.4 1.0
C B:GLY472 4.7 10.6 1.0
CG B:GLN473 4.8 12.6 1.0
HB3 B:ASN469 4.9 12.5 1.0
HG3 B:GLN473 5.0 15.1 1.0
HB2 B:ASN469 5.0 12.5 1.0
H B:GLY472 5.0 12.1 1.0
C B:ASN470 5.0 10.8 1.0
HA3 B:GLY471 5.0 12.4 1.0
HA3 B:GLY472 5.0 12.7 1.0

Magnesium binding site 4 out of 15 in 5ej8

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Magnesium binding site 4 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg607

b:26.2
occ:1.00
O B:HOH875 1.9 33.3 1.0
O B:HOH953 1.9 31.0 1.0
O B:HOH895 2.0 24.6 1.0
O B:HOH1130 2.0 27.4 1.0
O B:HOH1322 2.0 33.1 1.0
OD2 B:ASP311 2.3 17.7 0.6
CG B:ASP311 3.3 16.4 0.6
O B:HOH843 3.6 16.4 1.0
OD1 B:ASP311 3.6 16.4 0.6
O B:HOH713 3.8 26.9 1.0
O B:HOH1356 3.9 47.4 1.0
O B:HOH1252 4.0 22.8 1.0
O B:HOH755 4.2 19.5 1.0
O B:HOH741 4.2 34.3 1.0
OE1 B:GLU233 4.3 12.7 1.0
HB2 B:ASP311 4.3 17.8 0.4
HB3 B:SER230 4.5 13.7 1.0
OE2 B:GLU233 4.5 16.7 1.0
O B:HOH1141 4.5 26.8 1.0
HB3 B:ASP311 4.6 17.8 0.4
CB B:ASP311 4.6 15.8 0.6
H B:SER230 4.7 11.9 1.0
HA B:MET229 4.7 12.3 1.0
HB3 B:ASP311 4.7 19.0 0.6
CD B:GLU233 4.9 13.7 1.0
CB B:ASP311 4.9 14.8 0.4
HB2 B:ASP311 4.9 19.0 0.6
HD22 B:ASN329 5.0 23.1 1.0

Magnesium binding site 5 out of 15 in 5ej8

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Magnesium binding site 5 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg604

b:5.2
occ:0.59
MN C:MN603 0.1 15.7 0.4
OD1 C:ASN469 2.1 11.8 1.0
O1B C:TD6602 2.1 10.8 1.0
O C:GLY471 2.1 11.6 1.0
O1A C:TD6602 2.1 10.3 1.0
OD1 C:ASP442 2.1 11.2 1.0
O C:HOH859 2.1 11.8 1.0
CG C:ASN469 3.0 11.9 1.0
HD21 C:ASN469 3.1 14.7 1.0
H C:ASP442 3.1 12.5 1.0
CG C:ASP442 3.2 11.3 1.0
C C:GLY471 3.3 11.8 1.0
H C:GLN473 3.3 12.5 1.0
PB C:TD6602 3.3 10.5 1.0
PA C:TD6602 3.3 9.6 1.0
ND2 C:ASN469 3.4 12.2 1.0
O3A C:TD6602 3.4 10.3 1.0
H C:ASN469 3.4 15.3 1.0
HA2 C:GLY472 3.5 13.9 1.0
H C:GLY471 3.5 13.4 1.0
OD2 C:ASP442 3.7 12.2 1.0
H C:LEU443 3.8 11.7 1.0
HG2 C:GLN473 3.8 16.4 1.0
N C:ASP442 3.9 10.4 1.0
HA3 C:GLY441 4.0 12.3 1.0
N C:GLY471 4.0 11.2 1.0
N C:GLN473 4.1 10.4 1.0
N C:GLY472 4.2 11.2 1.0
HG C:LEU443 4.2 13.8 1.0
O7 C:TD6602 4.2 10.4 1.0
CA C:GLY472 4.2 11.6 1.0
O C:HOH800 4.2 13.9 1.0
N C:ASN469 4.2 12.7 1.0
CA C:GLY471 4.3 10.9 1.0
HD22 C:ASN469 4.3 14.7 1.0
O3B C:TD6602 4.3 11.0 1.0
O2B C:TD6602 4.3 11.4 1.0
O C:VAL467 4.3 12.0 1.0
CB C:ASN469 4.3 12.5 1.0
CB C:ASP442 4.4 10.9 1.0
O2A C:TD6602 4.5 10.1 1.0
HB2 C:GLN473 4.5 13.6 1.0
H C:ASN470 4.5 14.1 1.0
HA2 C:GLY441 4.5 12.3 1.0
C C:ASN469 4.5 11.9 1.0
N C:ASN470 4.6 11.8 1.0
N C:LEU443 4.6 9.7 1.0
CA C:ASN469 4.6 13.2 1.0
CA C:ASP442 4.6 10.7 1.0
HB3 C:ASP442 4.6 13.1 1.0
CG C:GLN473 4.6 13.7 1.0
CA C:GLY441 4.6 10.3 1.0
C C:GLY472 4.7 11.6 1.0
C C:GLY441 4.7 9.8 1.0
HA C:ASN468 4.7 16.2 1.0
HA2 C:GLY471 4.7 13.1 1.0
HG3 C:GLN473 4.8 16.4 1.0
HB3 C:ASN469 4.9 15.0 1.0
HB2 C:ASN469 4.9 15.0 1.0
CB C:GLN473 4.9 11.4 1.0
C C:ASN470 5.0 12.1 1.0
H C:GLY472 5.0 13.5 1.0
HA3 C:GLY472 5.0 13.9 1.0
HA3 C:GLY471 5.0 13.1 1.0
O C:ASN469 5.0 13.8 1.0

Magnesium binding site 6 out of 15 in 5ej8

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Magnesium binding site 6 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg608

b:16.0
occ:1.00
HO2 C:EDO607 1.4 23.3 1.0
O C:HOH790 2.0 15.7 1.0
O2 C:EDO607 2.0 19.4 1.0
OD2 C:ASP311 2.1 15.2 1.0
O C:HOH1104 2.1 19.5 1.0
O C:HOH1087 2.2 19.4 1.0
CG C:ASP311 3.1 14.5 1.0
C2 C:EDO607 3.2 20.9 1.0
H21 C:EDO607 3.2 25.1 1.0
OD1 C:ASP311 3.4 14.7 1.0
H22 C:EDO607 3.7 25.1 1.0
O C:HOH880 3.7 15.2 1.0
O C:HOH935 4.0 20.9 1.0
O C:HOH761 4.0 15.2 1.0
O C:HOH889 4.0 23.2 1.0
O C:HOH1387 4.1 45.8 1.0
O C:HOH1379 4.1 32.0 1.0
OE1 C:GLU233 4.2 12.6 1.0
O1 C:EDO607 4.3 16.7 1.0
C1 C:EDO607 4.3 19.8 1.0
OE2 C:GLU233 4.4 14.7 1.0
HB3 C:SER230 4.4 14.3 1.0
CB C:ASP311 4.5 12.3 1.0
HA C:MET229 4.6 11.2 1.0
H C:SER230 4.6 11.6 1.0
HB3 C:ASP311 4.6 14.7 1.0
CD C:GLU233 4.7 12.3 1.0
HB2 C:ASP311 4.8 14.7 1.0
H11 C:EDO607 4.8 23.7 1.0
O C:HOH1221 4.9 49.5 1.0

Magnesium binding site 7 out of 15 in 5ej8

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Magnesium binding site 7 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg604

b:7.4
occ:0.53
MN D:MN603 0.1 16.1 0.5
O D:GLY471 2.0 12.0 1.0
OD1 D:ASN469 2.1 12.7 1.0
O1A D:TD6602 2.1 10.9 1.0
OD1 D:ASP442 2.1 13.2 1.0
O1B D:TD6602 2.2 12.4 1.0
O D:HOH870 2.2 12.3 1.0
CG D:ASN469 3.1 12.8 1.0
HD21 D:ASN469 3.1 15.3 1.0
H D:ASP442 3.1 14.2 1.0
CG D:ASP442 3.1 13.5 1.0
C D:GLY471 3.2 12.1 1.0
PA D:TD6602 3.3 11.8 1.0
H D:GLN473 3.3 15.1 1.0
PB D:TD6602 3.4 12.7 1.0
O3A D:TD6602 3.4 12.4 1.0
H D:GLY471 3.5 16.3 1.0
ND2 D:ASN469 3.5 12.8 1.0
H D:ASN469 3.5 16.7 1.0
HA2 D:GLY472 3.5 14.9 1.0
OD2 D:ASP442 3.6 14.1 1.0
H D:LEU443 3.7 14.9 1.0
HG2 D:GLN473 3.8 16.8 1.0
N D:ASP442 3.9 11.8 1.0
N D:GLY471 4.0 13.6 1.0
HG D:LEU443 4.1 15.5 1.0
HA3 D:GLY441 4.1 14.8 1.0
N D:GLY472 4.1 12.8 1.0
N D:GLN473 4.1 12.6 1.0
O7 D:TD6602 4.2 11.2 1.0
CA D:GLY472 4.2 12.4 1.0
CA D:GLY471 4.2 12.9 1.0
N D:ASN469 4.3 13.9 1.0
O D:HOH825 4.3 14.9 1.0
HD22 D:ASN469 4.3 15.3 1.0
O3B D:TD6602 4.3 13.2 1.0
CB D:ASP442 4.4 12.2 1.0
O D:VAL467 4.4 13.2 1.0
O2A D:TD6602 4.4 11.1 1.0
O2B D:TD6602 4.4 14.0 1.0
CB D:ASN469 4.4 13.8 1.0
H D:ASN470 4.5 16.1 1.0
HB2 D:GLN473 4.5 16.5 1.0
C D:ASN469 4.5 12.6 1.0
N D:LEU443 4.5 12.5 1.0
N D:ASN470 4.6 13.4 1.0
HA2 D:GLY441 4.6 14.8 1.0
CA D:ASN469 4.6 13.7 1.0
CA D:ASP442 4.6 11.6 1.0
HB3 D:ASP442 4.6 14.6 1.0
CG D:GLN473 4.7 14.0 1.0
HA2 D:GLY471 4.7 15.5 1.0
CA D:GLY441 4.7 12.4 1.0
C D:GLY472 4.7 12.1 1.0
HA D:ASN468 4.7 16.5 1.0
C D:GLY441 4.7 11.9 1.0
HG3 D:GLN473 4.8 16.8 1.0
HB3 D:ASN469 4.9 16.5 1.0
C D:ASN470 4.9 15.0 1.0
HB2 D:ASN469 4.9 16.5 1.0
H D:GLY472 4.9 15.3 1.0
HA3 D:GLY471 4.9 15.5 1.0
CB D:GLN473 5.0 13.7 1.0
O D:ASN469 5.0 14.1 1.0
HA3 D:GLY472 5.0 14.9 1.0

Magnesium binding site 8 out of 15 in 5ej8

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Magnesium binding site 8 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg608

b:23.5
occ:1.00
O D:HOH727 1.9 26.9 1.0
O D:HOH846 2.0 23.8 1.0
O D:HOH981 2.0 28.7 1.0
O D:HOH989 2.1 25.8 1.0
O D:HOH1215 2.1 27.9 1.0
OD2 D:ASP311 2.2 23.0 1.0
CG D:ASP311 3.2 20.2 1.0
OD1 D:ASP311 3.5 20.6 1.0
O D:HOH783 3.6 18.5 1.0
O D:HOH1264 3.8 51.1 1.0
O D:HOH1145 3.9 22.6 1.0
O D:HOH919 4.0 25.8 1.0
O D:HOH773 4.0 18.5 1.0
O D:HOH1273 4.2 38.5 1.0
OE1 D:GLU233 4.2 17.0 1.0
HB3 D:SER230 4.4 17.4 1.0
OE2 D:GLU233 4.4 20.2 1.0
CB D:ASP311 4.5 17.1 1.0
H D:SER230 4.6 15.4 1.0
HB3 D:ASP311 4.6 20.6 1.0
HA D:MET229 4.6 14.5 1.0
CD D:GLU233 4.8 19.1 1.0
HB2 D:ASP311 4.8 20.6 1.0

Magnesium binding site 9 out of 15 in 5ej8

Go back to Magnesium Binding Sites List in 5ej8
Magnesium binding site 9 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg603

b:8.8
occ:0.53
MN E:MN602 0.2 11.6 0.5
O1A E:TD6601 2.1 8.1 1.0
OD1 E:ASP442 2.1 10.7 1.0
OD1 E:ASN469 2.1 10.1 1.0
O E:HOH783 2.1 9.6 1.0
O1B E:TD6601 2.2 9.4 1.0
O E:GLY471 2.2 10.9 1.0
H E:ASP442 3.0 10.9 1.0
CG E:ASN469 3.1 9.1 1.0
HD21 E:ASN469 3.1 13.1 1.0
CG E:ASP442 3.1 9.5 1.0
PA E:TD6601 3.3 8.8 1.0
C E:GLY471 3.4 10.5 1.0
PB E:TD6601 3.4 9.8 1.0
O3A E:TD6601 3.4 9.5 1.0
H E:ASN469 3.4 13.4 1.0
ND2 E:ASN469 3.5 10.9 1.0
H E:GLN473 3.5 12.8 1.0
HA2 E:GLY472 3.5 11.9 1.0
H E:GLY471 3.6 12.7 1.0
OD2 E:ASP442 3.6 11.8 1.0
H E:LEU443 3.7 11.9 1.0
N E:ASP442 3.8 9.1 1.0
HA3 E:GLY441 4.0 12.2 1.0
HG2 E:GLN473 4.0 15.5 1.0
N E:GLY471 4.1 10.6 1.0
O7 E:TD6601 4.2 8.2 1.0
HG E:LEU443 4.2 11.5 1.0
O E:HOH876 4.2 12.9 1.0
O E:VAL467 4.2 10.9 1.0
N E:GLY472 4.2 9.3 1.0
N E:ASN469 4.2 11.2 1.0
CA E:GLY472 4.3 9.9 1.0
N E:GLN473 4.3 10.7 1.0
CB E:ASP442 4.3 10.7 1.0
HD22 E:ASN469 4.3 13.1 1.0
CA E:GLY471 4.3 10.3 1.0
O3B E:TD6601 4.3 9.8 1.0
O2B E:TD6601 4.4 11.2 1.0
O2A E:TD6601 4.4 9.4 1.0
CB E:ASN469 4.4 10.3 1.0
HA2 E:GLY441 4.4 12.2 1.0
N E:LEU443 4.5 9.9 1.0
H E:ASN470 4.5 13.1 1.0
CA E:ASP442 4.5 9.7 1.0
CA E:GLY441 4.5 10.2 1.0
HB3 E:ASP442 4.5 12.9 1.0
C E:ASN469 4.6 9.8 1.0
HB2 E:GLN473 4.6 13.1 1.0
N E:ASN470 4.6 10.9 1.0
CA E:ASN469 4.6 10.6 1.0
C E:GLY441 4.6 9.9 1.0
HA E:ASN468 4.6 13.0 1.0
HA2 E:GLY471 4.8 12.4 1.0
CG E:GLN473 4.8 12.9 1.0
C E:GLY472 4.8 9.3 1.0
HB3 E:ASN469 4.9 12.4 1.0
HG3 E:GLN473 4.9 15.5 1.0
HB2 E:ASN469 5.0 12.4 1.0

Magnesium binding site 10 out of 15 in 5ej8

Go back to Magnesium Binding Sites List in 5ej8
Magnesium binding site 10 out of 15 in the Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Ecmend-Thdp-MN2+ Complex Structure Soaked with 2-Ketoglutarate For 2 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg607

b:29.9
occ:1.00
O E:HOH925 2.0 25.6 1.0
O E:HOH933 2.0 35.3 1.0
O E:HOH742 2.0 35.7 1.0
O E:HOH851 2.1 33.4 1.0
O E:HOH716 2.1 30.9 1.0
OD2 E:ASP311 2.2 52.3 1.0
CG E:ASP311 3.3 40.6 1.0
O E:HOH862 3.5 16.8 1.0
HZ3 E:LYS70 3.6 58.8 1.0
OD1 E:ASP311 3.6 39.7 1.0
O E:HOH847 3.8 26.2 1.0
O E:HOH709 3.9 33.7 1.0
O E:HOH702 3.9 33.8 1.0
O E:HOH1245 4.0 20.3 1.0
O E:HOH872 4.0 23.5 1.0
O2 E:FMT608 4.0 35.3 1.0
OE2 E:GLU233 4.3 12.2 1.0
HZ2 E:LYS70 4.4 58.8 1.0
NZ E:LYS70 4.4 49.0 1.0
O E:HOH1148 4.4 22.7 1.0
HB3 E:SER230 4.5 14.2 1.0
OE1 E:GLU233 4.5 17.9 1.0
CB E:ASP311 4.6 27.9 1.0
HD2 E:LYS70 4.6 44.4 1.0
HA E:MET229 4.6 11.3 1.0
H E:SER230 4.6 12.8 1.0
HB3 E:ASP311 4.7 33.5 1.0
HZ1 E:LYS70 4.7 58.8 1.0
CD E:GLU233 4.9 13.7 1.0
HB2 E:ASP311 4.9 33.5 1.0
HD22 E:ASN329 5.0 24.6 1.0

Reference:

H.G.Song, C.Dong, M.M.Qin, Y.Z.Chen, Y.R.Sun, J.J.Liu, W.Chan, Z.H.Guo. A Thiamine-Dependent Enzyme Utilizes An Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc. V. 138 7244 2016.
ISSN: ESSN 1520-5126
PubMed: 27213829
DOI: 10.1021/JACS.6B03437
Page generated: Sun Sep 29 03:50:39 2024

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