MolNFT v1 · #6073 · protein

Crystal structure of glutamine synthetase from salmonella typhimurium with thallium ions

1F1H · Protein (glutamine synthetase): “Crystal structure of glutamine synthetase from salmonella typhimurium with thallium ions”. X-ray diffraction, 3 ligands (ADP, MN, TL), 20 pockets (best druggability 0.83). MolNFT v1 #6073 on…

PDB: 1F1H
Type: protein
Length: 5,616 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (glutamine synthetase)
EC: 6.3.1.2
UniProt: P0A1P6
Ligands: ADP, MN, TL
Pockets: 20 · best druggability 0.83

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, G, H, I, J, K, L	Protein (glutamine synthetase) (EC 6.3.1.2)	protein	468	36% helix, 22% strand	P0A1P6

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 12 copies · chains A, B, C, D, E, F, G, L, H, I, J, K
MN · Manganese (II) ion · metal · 24 copies · chains A, B, C, D, E, F, G, L, H, I, J, K
TL · Thallium (I) ion · metal · 24 copies · chains A, B, C, D, E, F, G, L, H, I, J, K
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 12 copies · chains A, F, B, C, D, E, G, H, I, J, K, L

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	1059	0.83	0.84	109	MN, ADP, TL
2	1160	0.83	0.84	115	MN, ADP, TL
3	1149	0.83	0.84	110	MN, ADP, TL
4	1145	0.83	0.84	115	MN, ADP, TL
5	1086	0.82	0.84	117	MN, ADP, TL

Interfaces

24 interfaces between chains.

E–K · 2920 Å² buried · 31 hydrogen bonds · protein-protein
C–I · 2905 Å² buried · 31 hydrogen bonds · protein-protein
A–G · 2902 Å² buried · 31 hydrogen bonds · protein-protein
F–L · 2901 Å² buried · 31 hydrogen bonds · protein-protein
B–H · 2899 Å² buried · 31 hydrogen bonds · protein-protein

Compared structures

1F1H · Crystal structure of glutamine synthetase from salmonella typhimurium with thallium ions · the same entry in another collection · chain L against L, 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 P0A1P6
Elsewhere: RCSB PDB 1F1H · PDBe 1F1H · UniProt P0A1P6

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