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Magnesium in PDB 8rpi: Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp

Enzymatic activity of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp

All present enzymatic activity of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp:
2.2.1.6;

Protein crystallography data

The structure of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp, PDB code: 8rpi was solved by L.Lucrezia, C.Leogrande, F.Rabe Von Pappenheim, K.Tittmann, M.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.69 / 2.71
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 174.149, 118.539, 202.047, 90, 96.72, 90
R / Rfree (%) 19.5 / 23.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp (pdb code 8rpi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp, PDB code: 8rpi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 8rpi

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Magnesium binding site 1 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:55.4
occ:1.00
O A:GLY488 1.9 54.2 1.0
O3B A:TDL703 1.9 55.6 1.0
OD1 A:ASP459 2.1 57.5 1.0
O2A A:TDL703 2.2 57.3 1.0
O A:HOH801 2.2 56.7 1.0
OD1 A:ASN486 2.3 60.8 1.0
CG A:ASP459 3.0 58.1 1.0
C A:GLY488 3.1 55.7 1.0
H A:LEU490 3.1 67.5 1.0
HD21 A:ASN486 3.1 67.3 1.0
PB A:TDL703 3.2 54.1 1.0
OD2 A:ASP459 3.2 56.2 1.0
CG A:ASN486 3.3 58.5 1.0
PA A:TDL703 3.3 58.7 1.0
O3A A:TDL703 3.4 54.6 1.0
H A:GLY460 3.4 67.8 1.0
HA A:TYR489 3.4 68.6 1.0
ND2 A:ASN486 3.6 56.1 1.0
H A:GLY488 3.8 72.2 1.0
HB3 A:CYS458 3.8 63.8 1.0
H A:ASP459 3.9 62.8 1.0
N A:LEU490 3.9 56.3 1.0
N A:TYR489 4.0 56.3 1.0
CA A:GLY488 4.0 58.1 1.0
O7 A:TDL703 4.1 54.2 1.0
HD1 A:TYR489 4.1 64.8 1.0
N A:GLY460 4.1 56.5 1.0
CA A:TYR489 4.1 57.2 1.0
O1B A:TDL703 4.1 55.0 1.0
N A:GLY488 4.1 60.2 1.0
H A:ASN486 4.2 69.9 1.0
HA2 A:GLY488 4.2 69.7 1.0
O2B A:TDL703 4.3 58.6 1.0
HB2 A:LEU490 4.3 69.9 1.0
HA3 A:GLY460 4.4 64.7 1.0
HB3 A:LEU490 4.4 69.9 1.0
CB A:ASP459 4.4 56.5 1.0
HD22 A:ASN486 4.4 67.3 1.0
N A:ASP459 4.4 52.3 1.0
O A:PHE484 4.5 58.2 1.0
O1A A:TDL703 4.6 59.7 1.0
C A:TYR489 4.6 55.5 1.0
CB A:ASN486 4.6 58.8 1.0
N A:ASN486 4.7 58.3 1.0
CB A:CYS458 4.7 53.2 1.0
CB A:LEU490 4.8 58.2 1.0
CA A:ASP459 4.8 54.6 1.0
CA A:GLY460 4.8 53.9 1.0
H A:TYR489 4.8 67.6 1.0
C A:ASP459 4.8 56.3 1.0
HA3 A:GLY488 4.9 69.7 1.0
HB3 A:ASP459 4.9 67.8 1.0
HB2 A:CYS458 4.9 63.8 1.0
C A:ASN486 5.0 57.3 1.0
HB2 A:ASP459 5.0 67.8 1.0
CD1 A:TYR489 5.0 54.0 1.0
CA A:LEU490 5.0 58.6 1.0

Magnesium binding site 2 out of 6 in 8rpi

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Magnesium binding site 2 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg702

b:49.0
occ:1.00
O B:GLY488 1.9 52.2 1.0
O1A B:TDL704 1.9 50.9 1.0
O2B B:TDL704 2.0 50.8 1.0
O B:HOH812 2.1 51.1 1.0
OD1 B:ASP459 2.2 51.5 1.0
OD1 B:ASN486 2.2 52.6 1.0
C B:GLY488 3.1 51.5 1.0
PA B:TDL704 3.1 47.9 1.0
CG B:ASP459 3.2 52.7 1.0
H B:LEU490 3.2 61.1 1.0
PB B:TDL704 3.2 49.1 1.0
CG B:ASN486 3.2 52.6 1.0
H B:GLY460 3.3 62.5 1.0
HD21 B:ASN486 3.3 62.7 1.0
O3A B:TDL704 3.3 46.3 1.0
OD2 B:ASP459 3.5 52.3 1.0
HA B:TYR489 3.5 59.6 1.0
H B:GLY488 3.6 61.8 1.0
ND2 B:ASN486 3.7 52.3 1.0
HB3 B:CYS458 3.7 60.6 1.0
H B:ASP459 3.9 60.6 1.0
O7 B:TDL704 3.9 50.2 1.0
CA B:GLY488 4.0 50.7 1.0
N B:LEU490 4.0 50.9 1.0
H B:ASN486 4.0 61.3 1.0
N B:TYR489 4.0 50.8 1.0
N B:GLY460 4.0 52.1 1.0
HD1 B:TYR489 4.1 56.5 1.0
N B:GLY488 4.1 51.5 1.0
HA2 B:GLY488 4.1 60.8 1.0
CA B:TYR489 4.2 49.6 1.0
O1B B:TDL704 4.2 51.8 1.0
O3B B:TDL704 4.2 52.1 1.0
HA3 B:GLY460 4.3 58.8 1.0
HB2 B:LEU490 4.3 60.4 1.0
O2A B:TDL704 4.3 50.3 1.0
O B:PHE484 4.4 55.1 1.0
N B:ASP459 4.4 50.5 1.0
HB3 B:LEU490 4.4 60.4 1.0
HD22 B:ASN486 4.5 62.7 1.0
CB B:ASP459 4.5 52.2 1.0
CB B:CYS458 4.6 50.5 1.0
CB B:ASN486 4.6 53.9 1.0
N B:ASN486 4.6 51.1 1.0
C B:TYR489 4.6 50.0 1.0
HB2 B:CYS458 4.6 60.6 1.0
CA B:GLY460 4.7 49.0 1.0
CB B:LEU490 4.8 50.4 1.0
CA B:ASP459 4.8 51.3 1.0
C B:ASN486 4.8 52.1 1.0
HA3 B:GLY488 4.8 60.8 1.0
H B:TYR489 4.8 61.0 1.0
C B:ASP459 4.9 52.2 1.0
CA B:ASN486 4.9 53.1 1.0
O B:ASN486 4.9 52.0 1.0
HB2 B:ASN486 5.0 64.7 1.0
CD1 B:TYR489 5.0 47.1 1.0
HB3 B:ASP459 5.0 62.6 1.0

Magnesium binding site 3 out of 6 in 8rpi

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Magnesium binding site 3 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg702

b:52.1
occ:1.00
OD1 C:ASP459 1.9 57.0 1.0
O3B C:TDL703 2.1 53.2 1.0
OD1 C:ASN486 2.1 55.8 1.0
O2A C:TDL703 2.2 54.9 1.0
O C:GLY488 2.3 50.7 1.0
HD21 C:ASN486 2.9 64.8 1.0
CG C:ASP459 2.9 54.4 1.0
CG C:ASN486 3.0 54.4 1.0
H C:GLY460 3.1 61.8 1.0
PB C:TDL703 3.2 53.6 1.0
OD2 C:ASP459 3.3 50.5 1.0
ND2 C:ASN486 3.3 54.0 1.0
O3A C:TDL703 3.3 54.6 1.0
PA C:TDL703 3.3 53.1 1.0
HB3 C:CYS458 3.4 63.8 1.0
H C:LEU490 3.5 67.2 1.0
H C:ASP459 3.5 63.0 1.0
C C:GLY488 3.6 52.8 1.0
H C:ASN486 3.8 64.5 1.0
HA C:TYR489 3.9 66.0 1.0
N C:GLY460 3.9 51.5 1.0
H C:GLY488 3.9 64.3 1.0
O C:PHE484 4.0 52.8 1.0
O1B C:TDL703 4.1 52.6 1.0
N C:ASP459 4.1 52.5 1.0
HD22 C:ASN486 4.1 64.8 1.0
O7 C:TDL703 4.2 53.5 1.0
CB C:ASP459 4.3 54.7 1.0
CB C:CYS458 4.3 53.2 1.0
HB2 C:CYS458 4.3 63.8 1.0
N C:LEU490 4.4 56.0 1.0
O2B C:TDL703 4.4 54.0 1.0
HA3 C:GLY460 4.4 59.9 1.0
N C:ASN486 4.4 53.7 1.0
CB C:ASN486 4.4 55.0 1.0
HD1 C:TYR489 4.4 61.7 1.0
N C:GLY488 4.4 53.6 1.0
CA C:GLY488 4.4 53.2 1.0
O1A C:TDL703 4.5 50.4 1.0
N C:TYR489 4.5 54.7 1.0
CA C:ASP459 4.6 53.8 1.0
HB2 C:LEU490 4.6 66.7 1.0
CA C:TYR489 4.6 55.0 1.0
HA2 C:GLY488 4.6 63.9 1.0
HB3 C:LEU490 4.6 66.7 1.0
C C:ASP459 4.7 54.2 1.0
HB3 C:ASP459 4.7 65.6 1.0
CA C:GLY460 4.7 49.9 1.0
HA C:ASN485 4.8 67.3 1.0
CA C:ASN486 4.8 55.0 1.0
HB2 C:ASP459 4.8 65.6 1.0
C C:CYS458 4.9 52.1 1.0
HB2 C:ASN486 4.9 66.0 1.0
C C:ASN486 4.9 52.4 1.0
HB3 C:ASN486 5.0 66.0 1.0
HG1 C:THR408 5.0 65.4 1.0

Magnesium binding site 4 out of 6 in 8rpi

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Magnesium binding site 4 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg702

b:50.0
occ:1.00
O D:GLY488 1.7 49.6 1.0
O1B D:TDL703 2.0 49.7 1.0
OD1 D:ASP459 2.1 52.0 1.0
OD1 D:ASN486 2.2 51.8 1.0
O2A D:TDL703 2.2 48.8 1.0
O D:HOH812 2.6 51.0 1.0
C D:GLY488 3.0 51.2 1.0
CG D:ASP459 3.1 52.1 1.0
CG D:ASN486 3.2 52.5 1.0
HD21 D:ASN486 3.2 62.4 1.0
H D:LEU490 3.2 62.5 1.0
PB D:TDL703 3.3 49.2 1.0
PA D:TDL703 3.4 48.1 1.0
HA D:TYR489 3.4 62.3 1.0
OD2 D:ASP459 3.4 52.1 1.0
O3A D:TDL703 3.4 48.3 1.0
H D:GLY460 3.4 58.8 1.0
H D:GLY488 3.6 65.5 1.0
ND2 D:ASN486 3.6 52.0 1.0
H D:ASP459 3.8 58.3 1.0
CA D:GLY488 3.9 53.3 1.0
HB3 D:CYS458 3.9 60.5 1.0
N D:TYR489 3.9 51.2 1.0
N D:GLY488 4.0 54.6 1.0
H D:ASN486 4.0 61.4 1.0
N D:LEU490 4.0 52.1 1.0
HD1 D:TYR489 4.0 60.6 1.0
CA D:TYR489 4.1 51.9 1.0
N D:GLY460 4.1 49.0 1.0
O7 D:TDL703 4.1 48.1 1.0
HA2 D:GLY488 4.1 63.9 1.0
O2B D:TDL703 4.2 49.3 1.0
O3B D:TDL703 4.3 50.5 1.0
HA3 D:GLY460 4.4 58.2 1.0
N D:ASP459 4.4 48.6 1.0
HB2 D:LEU490 4.4 61.9 1.0
HD22 D:ASN486 4.5 62.4 1.0
CB D:ASP459 4.5 51.7 1.0
O D:PHE484 4.5 50.5 1.0
CB D:ASN486 4.5 53.1 1.0
N D:ASN486 4.6 51.2 1.0
O1A D:TDL703 4.6 49.2 1.0
C D:TYR489 4.6 51.7 1.0
H D:TYR489 4.7 61.5 1.0
HA3 D:GLY488 4.7 63.9 1.0
HB3 D:LEU490 4.7 61.9 1.0
CB D:CYS458 4.8 50.4 1.0
C D:ASN486 4.8 51.3 1.0
CA D:ASP459 4.8 49.2 1.0
CA D:GLY460 4.8 48.5 1.0
HB2 D:CYS458 4.8 60.5 1.0
C D:ASP459 4.8 47.9 1.0
CA D:ASN486 4.9 52.3 1.0
O D:ASN486 4.9 50.6 1.0
HB2 D:ASN486 4.9 63.8 1.0
HB3 D:ASP459 4.9 62.0 1.0
CD1 D:TYR489 4.9 50.5 1.0
CB D:LEU490 5.0 51.6 1.0

Magnesium binding site 5 out of 6 in 8rpi

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Magnesium binding site 5 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg702

b:58.2
occ:1.00
O E:GLY488 1.8 56.1 1.0
O2B E:TDL703 2.1 56.3 1.0
O2A E:TDL703 2.1 57.0 1.0
OD1 E:ASP459 2.1 58.1 1.0
O E:HOH806 2.2 53.9 1.0
OD1 E:ASN486 2.4 56.5 1.0
C E:GLY488 3.0 57.1 1.0
CG E:ASP459 3.1 56.3 1.0
H E:LEU490 3.2 66.5 1.0
HD21 E:ASN486 3.3 68.7 1.0
PA E:TDL703 3.3 56.6 1.0
PB E:TDL703 3.3 54.6 1.0
CG E:ASN486 3.3 57.5 1.0
H E:GLY460 3.4 65.7 1.0
HA E:TYR489 3.4 67.5 1.0
OD2 E:ASP459 3.4 53.9 1.0
O3A E:TDL703 3.4 51.4 1.0
ND2 E:ASN486 3.7 57.2 1.0
H E:GLY488 3.7 68.2 1.0
HB3 E:CYS458 3.9 62.0 1.0
H E:ASP459 3.9 63.6 1.0
N E:TYR489 4.0 57.4 1.0
HD1 E:TYR489 4.0 64.9 1.0
CA E:GLY488 4.0 58.0 1.0
O7 E:TDL703 4.0 56.3 1.0
H E:ASN486 4.0 69.2 1.0
N E:GLY460 4.0 54.7 1.0
N E:LEU490 4.0 55.4 1.0
N E:GLY488 4.1 56.9 1.0
CA E:TYR489 4.1 56.2 1.0
HA2 E:GLY488 4.1 69.6 1.0
O3B E:TDL703 4.2 55.1 1.0
HA3 E:GLY460 4.2 65.8 1.0
O1B E:TDL703 4.3 55.6 1.0
N E:ASP459 4.4 53.0 1.0
CB E:ASP459 4.5 56.3 1.0
HB2 E:LEU490 4.5 66.4 1.0
HD22 E:ASN486 4.5 68.7 1.0
O1A E:TDL703 4.5 57.2 1.0
O E:PHE484 4.6 51.0 1.0
C E:TYR489 4.6 55.1 1.0
N E:ASN486 4.6 57.6 1.0
HB3 E:LEU490 4.7 66.4 1.0
CA E:GLY460 4.7 54.9 1.0
CB E:ASN486 4.7 59.3 1.0
CB E:CYS458 4.8 51.7 1.0
CA E:ASP459 4.8 55.8 1.0
C E:ASP459 4.8 54.7 1.0
H E:TYR489 4.8 68.9 1.0
HG E:CYS515 4.8 74.6 1.0
HA3 E:GLY488 4.8 69.6 1.0
CD1 E:TYR489 4.9 54.1 1.0
HB2 E:CYS458 4.9 62.0 1.0
HB2 E:ASP459 4.9 67.6 1.0
C E:ASN486 4.9 56.9 1.0
CB E:LEU490 5.0 55.3 1.0
CA E:ASN486 5.0 59.1 1.0

Magnesium binding site 6 out of 6 in 8rpi

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Magnesium binding site 6 out of 6 in the Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Janthe From Janthinobacterium Sp. HH01, Lactyl-Thdp within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg702

b:60.4
occ:1.00
O F:GLY488 1.9 56.3 1.0
O F:HOH801 1.9 58.5 1.0
OD1 F:ASP459 2.1 62.0 1.0
O2A F:TDL703 2.1 60.6 1.0
O2B F:TDL703 2.2 61.2 1.0
OD1 F:ASN486 2.2 66.7 1.0
CG F:ASP459 3.0 62.9 1.0
C F:GLY488 3.1 56.9 1.0
H F:GLY460 3.2 72.8 1.0
H F:LEU490 3.3 68.9 1.0
CG F:ASN486 3.3 65.5 1.0
PA F:TDL703 3.3 56.2 1.0
OD2 F:ASP459 3.3 62.0 1.0
HD21 F:ASN486 3.4 77.6 1.0
PB F:TDL703 3.5 60.9 1.0
HA F:TYR489 3.5 69.3 1.0
O3A F:TDL703 3.5 60.6 1.0
H F:GLY488 3.7 72.2 1.0
HB3 F:CYS458 3.7 76.3 1.0
ND2 F:ASN486 3.7 64.7 1.0
H F:ASP459 3.8 71.8 1.0
N F:GLY460 3.9 60.6 1.0
HD1 F:TYR489 4.0 63.6 1.0
H F:ASN486 4.0 73.2 1.0
N F:TYR489 4.0 56.8 1.0
CA F:GLY488 4.0 58.8 1.0
O7 F:TDL703 4.0 57.4 1.0
N F:LEU490 4.1 57.4 1.0
N F:GLY488 4.1 60.2 1.0
CA F:TYR489 4.2 57.8 1.0
HA3 F:GLY460 4.2 71.1 1.0
HA2 F:GLY488 4.2 70.6 1.0
N F:ASP459 4.4 59.8 1.0
O F:PHE484 4.4 65.3 1.0
O1B F:TDL703 4.4 60.4 1.0
CB F:ASP459 4.4 62.5 1.0
O3B F:TDL703 4.5 63.1 1.0
HB3 F:LEU490 4.6 74.3 1.0
O1A F:TDL703 4.6 61.3 1.0
N F:ASN486 4.6 61.0 1.0
HD22 F:ASN486 4.6 77.6 1.0
HB2 F:LEU490 4.6 74.3 1.0
CA F:GLY460 4.6 59.2 1.0
CB F:ASN486 4.6 65.0 1.0
CB F:CYS458 4.7 63.6 1.0
C F:TYR489 4.7 57.2 1.0
CA F:ASP459 4.7 60.2 1.0
C F:ASP459 4.7 60.0 1.0
C F:ASN486 4.8 58.6 1.0
H F:TYR489 4.9 68.1 1.0
HB2 F:CYS458 4.9 76.3 1.0
HA3 F:GLY488 4.9 70.6 1.0
CD1 F:TYR489 4.9 53.0 1.0
HB3 F:ASP459 4.9 75.0 1.0
CA F:ASN486 4.9 60.0 1.0
HB2 F:ASP459 4.9 75.0 1.0
CB F:LEU490 5.0 61.9 1.0
HB2 F:ASN486 5.0 77.9 1.0

Reference:

L.Lucrezia, C.Leogrande, F.Rabe Von Pappenheim. Jhe From Janthinobacterium Sp. HH01 To Be Published.
Page generated: Fri Oct 4 17:45:27 2024

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