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Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic

Analyse Crystal structure of mycobacterium tuberculosis glutamine synthetase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2BVC
Type: protein
Length: 2,850 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutamine synthetase 1
EC: 6.3.1.2
UniProt: P0A590
Ligands: P3S, ADP, MG, CL
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Glutamine synthetase 1 (EC 6.3.1.2)	protein	475	36% helix, 22% strand	P0A590

Ligands and binding sites

P3S · L-methionine-S-sulfoximine phosphate · ligand · 6 copies · chains A, F, B, C, D, E
ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F
MG · Magnesium ion · metal · 18 copies · chains A, B, C, D, E, F
CL · Chloride ion · ion · 6 copies · chains F, E, A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	879	0.81	0.83	86	empty
2	899	0.81	0.83	93	empty
3	1123	0.80	0.82	91	empty
4	1183	0.80	0.81	106	empty
5	1134	0.79	0.81	85	empty

Interfaces

6 interfaces between chains.

B–C · 1970 Å² buried · 47 hydrogen bonds · protein-protein
A–B · 1963 Å² buried · 46 hydrogen bonds · protein-protein
A–F · 1962 Å² buried · 46 hydrogen bonds · protein-protein
C–D · 1953 Å² buried · 45 hydrogen bonds · protein-protein
D–E · 1945 Å² buried · 48 hydrogen bonds · protein-protein

Compared structures

2BVC · Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a… · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0A590
Elsewhere: RCSB PDB 2BVC · PDBe 2BVC · UniProt P0A590

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