MolNFT v1 · #83533 · protein

Crystal structure of poph native

3WL6 · Oxidized polyvinyl alcohol hydrolase: “Crystal structure of poph native”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #83533 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3WL6
Type: protein
Length: 654 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxidized polyvinyl alcohol hydrolase
EC: 3.7.1.7
UniProt: Q9LCQ7
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxidized polyvinyl alcohol hydrolase (EC 3.7.1.7)	protein	333	28% helix, 24% strand	Q9LCQ7
B	Oxidized polyvinyl alcohol hydrolase (EC 3.7.1.7)	protein	321	29% helix, 22% strand	Q9LCQ7

Ligands and binding sites

CIT · Citric acid · additive · chains B

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

Pockets

4 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	572	0.72	0.80	73	empty
2	169	0.58	0.82	31	empty
3	169	0.54	0.80	35	CIT
4	55	0.41	0.82	13	empty

Interfaces

1 interface between chains.

A–B · 606 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

3WL6 · Crystal Structure of pOPH Native · the same entry in another collection · chain A against A, TM-score 1.00
Q9LCQ7 · AlphaFold monomer V2.0 prediction for oxidized polyvinyl alcohol hydrolase (Q9LCQ7) · a predicted model of the same protein · chain B 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 Q9LCQ7
Elsewhere: RCSB PDB 3WL6 · PDBe 3WL6 · UniProt Q9LCQ7

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