Magnesium in PDB 8rpj: Janthe From Janthinobacterium Sp. HH01

Enzymatic activity of Janthe From Janthinobacterium Sp. HH01

All present enzymatic activity of Janthe From Janthinobacterium Sp. HH01:
2.2.1.6;

Protein crystallography data

The structure of Janthe From Janthinobacterium Sp. HH01, PDB code: 8rpj 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) 68.16 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 185.196, 105.169, 193.605, 90, 96.51, 90
R / Rfree (%) 15.3 / 18.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Janthe From Janthinobacterium Sp. HH01 (pdb code 8rpj). 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, PDB code: 8rpj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 8rpj

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Magnesium binding site 1 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:20.6
occ:1.00
O1A A:TPP700 2.0 18.2 1.0
O A:GLY488 2.0 19.9 1.0
OD1 A:ASP459 2.0 19.4 1.0
O3B A:TPP700 2.1 16.7 1.0
OD1 A:ASN486 2.1 19.1 1.0
O A:HOH923 2.2 18.7 1.0
HD21 A:ASN486 3.0 22.3 1.0
CG A:ASN486 3.1 21.5 1.0
PA A:TPP700 3.1 18.4 1.0
CG A:ASP459 3.1 19.8 1.0
PB A:TPP700 3.2 18.7 1.0
O3A A:TPP700 3.2 18.7 1.0
C A:GLY488 3.3 18.5 1.0
H A:LEU490 3.3 20.8 1.0
H A:GLY460 3.3 21.3 1.0
ND2 A:ASN486 3.4 18.6 1.0
OD2 A:ASP459 3.6 24.1 1.0
HA A:TYR489 3.6 21.0 1.0
HB3 A:CYS458 3.7 26.3 1.0
H A:ASP459 3.7 23.1 1.0
O2B A:TPP700 3.7 20.5 1.0
H A:GLY488 3.9 24.6 1.0
O7 A:TPP700 3.9 18.6 1.0
H A:ASN486 3.9 21.6 1.0
N A:LEU490 4.1 17.3 1.0
N A:GLY460 4.1 17.7 1.0
N A:TYR489 4.2 16.8 1.0
CA A:GLY488 4.2 20.9 1.0
HD22 A:ASN486 4.2 22.3 1.0
HD1 A:TYR489 4.2 23.8 1.0
N A:ASP459 4.3 19.3 1.0
CA A:TYR489 4.3 17.5 1.0
N A:GLY488 4.3 20.5 1.0
O A:PHE484 4.3 20.8 1.0
HB2 A:LEU490 4.3 22.2 1.0
HA2 A:GLY488 4.4 25.1 1.0
O2A A:TPP700 4.4 19.0 1.0
O1B A:TPP700 4.5 19.9 1.0
CB A:ASP459 4.5 20.2 1.0
CB A:ASN486 4.5 21.5 1.0
HB3 A:LEU490 4.5 22.2 1.0
HA3 A:GLY460 4.5 24.5 1.0
N A:ASN486 4.5 18.0 1.0
CB A:CYS458 4.6 21.9 1.0
C A:TYR489 4.7 17.1 1.0
CA A:ASP459 4.7 20.0 1.0
CB A:LEU490 4.8 18.5 1.0
CA A:ASN486 4.9 18.6 1.0
C A:ASN486 4.9 20.1 1.0
C A:ASP459 4.9 20.4 1.0
HB2 A:ASN486 4.9 25.8 1.0
CA A:GLY460 4.9 20.4 1.0
HB3 A:ASP459 4.9 24.3 1.0
H A:TYR489 5.0 20.2 1.0

Magnesium binding site 2 out of 6 in 8rpj

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Magnesium binding site 2 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg703

b:21.0
occ:1.00
O B:GLY488 2.0 20.0 1.0
O2A B:TPP701 2.1 21.1 1.0
O3B B:TPP701 2.1 18.4 1.0
OD1 B:ASP459 2.1 22.4 1.0
O B:HOH914 2.1 20.5 1.0
OD1 B:ASN486 2.2 23.4 1.0
HD21 B:ASN486 3.0 30.0 1.0
CG B:ASN486 3.1 22.8 1.0
PA B:TPP701 3.2 21.8 1.0
PB B:TPP701 3.2 20.5 1.0
CG B:ASP459 3.2 25.5 1.0
O3A B:TPP701 3.2 19.2 1.0
H B:GLY460 3.2 26.1 1.0
C B:GLY488 3.2 20.8 1.0
H B:LEU490 3.3 25.6 1.0
ND2 B:ASN486 3.4 25.0 1.0
HA B:TYR489 3.6 25.9 1.0
HB3 B:CYS458 3.6 26.4 1.0
O1B B:TPP701 3.7 22.2 1.0
H B:ASP459 3.7 25.8 1.0
OD2 B:ASP459 3.7 25.2 1.0
H B:GLY488 3.8 31.6 1.0
H B:ASN486 4.0 27.6 1.0
O7 B:TPP701 4.0 19.8 1.0
N B:GLY460 4.0 21.8 1.0
N B:LEU490 4.1 21.4 1.0
N B:TYR489 4.2 20.1 1.0
CA B:GLY488 4.2 24.8 1.0
N B:ASP459 4.2 21.5 1.0
N B:GLY488 4.3 26.3 1.0
HD1 B:TYR489 4.3 25.1 1.0
CA B:TYR489 4.3 21.6 1.0
HD22 B:ASN486 4.3 30.0 1.0
O B:PHE484 4.3 21.9 1.0
HB2 B:LEU490 4.4 28.3 1.0
HA2 B:GLY488 4.4 29.7 1.0
O1A B:TPP701 4.4 21.5 1.0
HA3 B:GLY460 4.4 24.3 1.0
O2B B:TPP701 4.4 23.4 1.0
CB B:ASP459 4.5 22.4 1.0
CB B:ASN486 4.5 22.9 1.0
N B:ASN486 4.6 23.0 1.0
HB3 B:LEU490 4.6 28.3 1.0
CB B:CYS458 4.6 22.0 1.0
CA B:ASP459 4.7 21.4 1.0
C B:TYR489 4.8 19.5 1.0
CA B:GLY460 4.8 20.3 1.0
C B:ASP459 4.8 23.7 1.0
CB B:LEU490 4.9 23.6 1.0
C B:ASN486 4.9 23.2 1.0
CA B:ASN486 4.9 24.3 1.0
HB2 B:CYS458 5.0 26.4 1.0
HB3 B:ASP459 5.0 26.9 1.0
H B:TYR489 5.0 24.2 1.0
HG1 B:THR408 5.0 26.7 1.0
HB2 B:ASN486 5.0 27.5 1.0
O B:ASN486 5.0 23.3 1.0

Magnesium binding site 3 out of 6 in 8rpj

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Magnesium binding site 3 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg703

b:21.1
occ:1.00
O C:GLY488 1.9 22.9 1.0
O2A C:TPP701 2.0 20.7 1.0
OD1 C:ASP459 2.1 24.2 1.0
O3B C:TPP701 2.1 18.4 1.0
OD1 C:ASN486 2.2 20.5 1.0
O C:HOH908 2.4 22.9 1.0
HD21 C:ASN486 3.0 27.0 1.0
CG C:ASP459 3.1 22.8 1.0
CG C:ASN486 3.1 22.2 1.0
C C:GLY488 3.1 21.4 1.0
PA C:TPP701 3.2 21.2 1.0
PB C:TPP701 3.3 21.3 1.0
H C:GLY460 3.3 25.0 1.0
O3A C:TPP701 3.3 20.1 1.0
H C:LEU490 3.3 26.4 1.0
ND2 C:ASN486 3.5 22.5 1.0
OD2 C:ASP459 3.5 24.9 1.0
HA C:TYR489 3.6 26.7 1.0
HB3 C:CYS458 3.7 26.9 1.0
O1B C:TPP701 3.7 21.2 1.0
H C:GLY488 3.7 28.5 1.0
H C:ASP459 3.8 25.4 1.0
H C:ASN486 3.9 30.2 1.0
O7 C:TPP701 4.0 24.4 1.0
N C:GLY460 4.1 20.8 1.0
CA C:GLY488 4.1 25.4 1.0
N C:TYR489 4.1 22.3 1.0
N C:LEU490 4.1 22.0 1.0
N C:GLY488 4.1 23.8 1.0
HD1 C:TYR489 4.2 24.1 1.0
HA2 C:GLY488 4.2 30.5 1.0
CA C:TYR489 4.3 22.2 1.0
N C:ASP459 4.3 21.2 1.0
HB2 C:LEU490 4.3 27.8 1.0
HD22 C:ASN486 4.3 27.0 1.0
O C:PHE484 4.3 20.6 1.0
HA3 C:GLY460 4.4 21.3 1.0
O1A C:TPP701 4.5 22.8 1.0
CB C:ASP459 4.5 25.0 1.0
N C:ASN486 4.5 25.1 1.0
CB C:ASN486 4.5 22.6 1.0
HB3 C:LEU490 4.5 27.8 1.0
O2B C:TPP701 4.5 22.8 1.0
CB C:CYS458 4.7 22.4 1.0
C C:TYR489 4.8 24.8 1.0
CA C:ASP459 4.8 21.7 1.0
CB C:LEU490 4.8 23.1 1.0
CA C:GLY460 4.8 17.7 1.0
C C:ASN486 4.9 25.5 1.0
C C:ASP459 4.9 22.6 1.0
CA C:ASN486 4.9 25.2 1.0
HA3 C:GLY488 4.9 30.5 1.0
H C:TYR489 4.9 26.8 1.0
HB3 C:ASP459 4.9 30.0 1.0
HB2 C:ASN486 5.0 27.2 1.0

Magnesium binding site 4 out of 6 in 8rpj

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Magnesium binding site 4 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg702

b:22.3
occ:1.00
O D:GLY488 2.0 21.2 1.0
O3B D:TPP700 2.1 21.6 1.0
O1A D:TPP700 2.1 23.5 1.0
OD1 D:ASP459 2.1 23.1 1.0
OD1 D:ASN486 2.1 25.2 1.0
O D:HOH897 2.2 22.1 1.0
HD21 D:ASN486 2.9 28.4 1.0
CG D:ASN486 3.1 25.3 1.0
PA D:TPP700 3.1 23.6 1.0
PB D:TPP700 3.2 23.0 1.0
CG D:ASP459 3.2 25.6 1.0
O3A D:TPP700 3.2 24.4 1.0
C D:GLY488 3.2 25.1 1.0
H D:LEU490 3.3 25.7 1.0
H D:GLY460 3.3 29.8 1.0
ND2 D:ASN486 3.3 23.6 1.0
HA D:TYR489 3.5 28.2 1.0
OD2 D:ASP459 3.6 26.3 1.0
HB3 D:CYS458 3.6 28.9 1.0
O2B D:TPP700 3.7 25.2 1.0
H D:ASP459 3.7 30.1 1.0
H D:GLY488 3.9 35.6 1.0
O7 D:TPP700 3.9 22.9 1.0
H D:ASN486 4.0 29.1 1.0
N D:GLY460 4.1 24.8 1.0
N D:LEU490 4.1 21.4 1.0
N D:TYR489 4.1 23.3 1.0
HD1 D:TYR489 4.2 26.9 1.0
HD22 D:ASN486 4.2 28.4 1.0
CA D:GLY488 4.2 25.9 1.0
CA D:TYR489 4.2 23.5 1.0
N D:ASP459 4.3 25.1 1.0
N D:GLY488 4.3 29.6 1.0
HB2 D:LEU490 4.3 29.2 1.0
O D:PHE484 4.3 26.2 1.0
HA2 D:GLY488 4.4 31.1 1.0
HA3 D:GLY460 4.4 29.1 1.0
O1B D:TPP700 4.4 24.0 1.0
O2A D:TPP700 4.5 24.7 1.0
CB D:ASN486 4.5 24.2 1.0
CB D:ASP459 4.5 25.1 1.0
N D:ASN486 4.6 24.3 1.0
CB D:CYS458 4.6 24.0 1.0
HB3 D:LEU490 4.6 29.2 1.0
C D:TYR489 4.7 22.8 1.0
CA D:ASP459 4.7 26.9 1.0
CA D:GLY460 4.8 24.2 1.0
CB D:LEU490 4.8 24.3 1.0
HB2 D:CYS458 4.9 28.9 1.0
C D:ASP459 4.9 26.9 1.0
CA D:ASN486 4.9 24.1 1.0
C D:ASN486 4.9 25.7 1.0
HB2 D:ASN486 4.9 29.1 1.0
H D:TYR489 5.0 28.0 1.0

Magnesium binding site 5 out of 6 in 8rpj

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Magnesium binding site 5 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg703

b:20.9
occ:1.00
O E:GLY488 2.0 18.5 1.0
O1A E:TPP701 2.0 20.9 1.0
OD1 E:ASP459 2.1 21.7 1.0
O3B E:TPP701 2.1 19.2 1.0
OD1 E:ASN486 2.2 20.8 1.0
O E:HOH881 2.2 20.9 1.0
HD21 E:ASN486 3.0 27.8 1.0
CG E:ASN486 3.1 20.5 1.0
PA E:TPP701 3.1 20.1 1.0
PB E:TPP701 3.2 19.7 1.0
O3A E:TPP701 3.2 21.6 1.0
CG E:ASP459 3.2 23.2 1.0
C E:GLY488 3.2 19.4 1.0
H E:GLY460 3.3 24.7 1.0
H E:LEU490 3.3 22.0 1.0
ND2 E:ASN486 3.4 23.2 1.0
HA E:TYR489 3.6 23.4 1.0
OD2 E:ASP459 3.6 19.8 1.0
HB3 E:CYS458 3.7 25.7 1.0
H E:ASP459 3.7 24.0 1.0
O2B E:TPP701 3.7 20.9 1.0
H E:GLY488 3.8 26.5 1.0
H E:ASN486 3.9 25.9 1.0
O7 E:TPP701 3.9 21.3 1.0
N E:GLY460 4.1 20.6 1.0
N E:LEU490 4.1 18.4 1.0
CA E:GLY488 4.1 20.1 1.0
N E:TYR489 4.1 19.6 1.0
HD1 E:TYR489 4.2 23.2 1.0
N E:GLY488 4.2 22.1 1.0
N E:ASP459 4.2 20.0 1.0
HD22 E:ASN486 4.3 27.8 1.0
CA E:TYR489 4.3 19.5 1.0
O E:PHE484 4.3 21.4 1.0
HA2 E:GLY488 4.3 24.1 1.0
HB2 E:LEU490 4.3 24.6 1.0
O2A E:TPP701 4.4 19.0 1.0
O1B E:TPP701 4.5 18.1 1.0
CB E:ASP459 4.5 20.4 1.0
CB E:ASN486 4.5 19.4 1.0
HA3 E:GLY460 4.5 24.9 1.0
HB3 E:LEU490 4.5 24.6 1.0
N E:ASN486 4.6 21.6 1.0
CB E:CYS458 4.6 21.4 1.0
CA E:ASP459 4.7 21.3 1.0
C E:TYR489 4.8 20.8 1.0
CB E:LEU490 4.8 20.5 1.0
C E:ASP459 4.9 21.6 1.0
CA E:GLY460 4.9 20.8 1.0
CA E:ASN486 4.9 21.9 1.0
HB2 E:ASN486 4.9 23.3 1.0
C E:ASN486 4.9 21.1 1.0
H E:TYR489 5.0 23.5 1.0
HA3 E:GLY488 5.0 24.1 1.0

Magnesium binding site 6 out of 6 in 8rpj

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Magnesium binding site 6 out of 6 in the Janthe From Janthinobacterium Sp. HH01


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg703

b:27.6
occ:1.00
O F:GLY488 2.0 27.1 1.0
OD1 F:ASP459 2.0 28.2 1.0
O3B F:TPP701 2.1 27.4 1.0
O F:HOH885 2.1 27.3 1.0
O2A F:TPP701 2.1 24.4 1.0
OD1 F:ASN486 2.1 27.1 1.0
HD21 F:ASN486 3.0 33.2 1.0
CG F:ASN486 3.1 27.7 1.0
CG F:ASP459 3.1 33.1 1.0
C F:GLY488 3.2 29.1 1.0
PA F:TPP701 3.2 29.0 1.0
PB F:TPP701 3.2 26.7 1.0
O3A F:TPP701 3.2 26.9 1.0
H F:GLY460 3.3 33.4 1.0
H F:LEU490 3.4 35.4 1.0
ND2 F:ASN486 3.4 27.7 1.0
OD2 F:ASP459 3.6 33.3 1.0
HA F:TYR489 3.6 31.8 1.0
HB3 F:CYS458 3.6 33.1 1.0
H F:ASP459 3.7 32.7 1.0
O1B F:TPP701 3.7 27.8 1.0
H F:GLY488 3.7 38.1 1.0
H F:ASN486 3.8 39.5 1.0
O7 F:TPP701 4.0 29.2 1.0
N F:GLY460 4.1 27.8 1.0
CA F:GLY488 4.1 27.0 1.0
N F:TYR489 4.1 29.4 1.0
N F:LEU490 4.2 29.5 1.0
N F:GLY488 4.2 31.8 1.0
N F:ASP459 4.2 27.3 1.0
O F:PHE484 4.2 28.9 1.0
HD22 F:ASN486 4.2 33.2 1.0
HA2 F:GLY488 4.3 32.4 1.0
HD1 F:TYR489 4.3 33.3 1.0
CA F:TYR489 4.3 26.5 1.0
HB2 F:LEU490 4.4 37.2 1.0
O1A F:TPP701 4.4 30.9 1.0
CB F:ASP459 4.5 29.3 1.0
N F:ASN486 4.5 32.9 1.0
O2B F:TPP701 4.5 29.9 1.0
CB F:ASN486 4.5 32.1 1.0
HA3 F:GLY460 4.5 32.4 1.0
HB3 F:LEU490 4.6 37.2 1.0
CB F:CYS458 4.6 27.6 1.0
CA F:ASP459 4.7 28.3 1.0
C F:TYR489 4.8 28.4 1.0
CA F:ASN486 4.8 28.4 1.0
C F:ASP459 4.9 30.6 1.0
CA F:GLY460 4.9 27.0 1.0
CB F:LEU490 4.9 31.0 1.0
C F:ASN486 4.9 27.1 1.0
HB2 F:ASN486 4.9 38.5 1.0
HB2 F:CYS458 4.9 33.1 1.0
HA3 F:GLY488 5.0 32.4 1.0
HB3 F:ASP459 5.0 35.1 1.0
HA F:ASN485 5.0 35.8 1.0
H F:TYR489 5.0 35.3 1.0

Reference:

L.Lucrezia, C.Leogrande, F.Rabe Von Pappenheim. Jhe From Janthinobacterium Sp. HH01 To Be Published.
Page generated: Fri Oct 4 17:45:28 2024

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