MolNFT v1 · #153823 · protein

Crystal structure of a hydrogenase from trichosporon moniliiforme

6JQW · Salicylate decarboxylase: “Crystal structure of a hydrogenase from trichosporon moniliiforme”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.39). MolNFT v1 #153823 on GenesisL1: 3D structure, binding sites and…

PDB: 6JQW
Type: protein
Length: 704 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Salicylate decarboxylase
EC: 4.1.1.91
UniProt: P0CT50
Ligands: ZN
Pockets: 2 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Salicylate decarboxylase (EC 4.1.1.91)	protein	352	57% helix, 12% strand	P0CT50

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	121	0.39	0.74	24	empty
2	86	0.33	0.73	20	empty

Interfaces

1 interface between chains.

A–B · 3130 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

6JQW · Crystal structure of a hydrogenase from Trichosporon moniliiforme · the same entry in another collection · chain A against A, TM-score 1.00
P0CT50 · AlphaFold monomer V2.0 prediction for salicylate decarboxylase (P0CT50) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0CT50
Elsewhere: RCSB PDB 6JQW · PDBe 6JQW · UniProt P0CT50

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