MolNFT v1 · #165100 · protein

Mature primitive pytochelatin synthase ALR0975 from nostoc species bound to glutathione

6TJL · ALR0975 protein: “Mature primitive pytochelatin synthase ALR0975 from nostoc species bound to glutathione”. X-ray diffraction, 2 ligands (GSH, CA), 5 pockets (best druggability 0.71). MolNFT v1 #165100 on GenesisL1: 3D structure…

PDB: 6TJL
Type: protein
Length: 434 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALR0975 protein
UniProt: Q8YY76
Ligands: GSH, CA
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ALR0975 protein	protein	217	35% helix, 21% strand	Q8YY76

Ligands and binding sites

GSH · Glutathione · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	260	0.71	0.86	34	empty
2	197	0.53	0.78	37	empty
3	146	0.52	0.80	30	empty
4	118	0.45	0.78	28	GSH
5	94	0.41	0.78	28	GSH

Interfaces

1 interface between chains.

A–B · 1588 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

6TJL · Mature primitive pytochelatin synthase Alr0975 from Nostoc species bound to glutathione · the same entry in another collection · chain A against A, 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 Q8YY76
Elsewhere: RCSB PDB 6TJL · PDBe 6TJL · UniProt Q8YY76

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