MolNFT v1 · #95771 · protein

Tannin acyl hydrolase (mercury derivative)

4J0G · Tannase: “Tannin acyl hydrolase (mercury derivative)”. X-ray diffraction, 1 ligand (HG), 11 pockets (best druggability 0.62). MolNFT v1 #95771 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4J0G
Type: protein
Length: 918 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tannase
UniProt: B3Y018
Ligands: HG
Pockets: 11 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tannase	protein	454	35% helix, 18% strand	B3Y018
B	Tannase	protein	464	33% helix, 21% strand	B3Y018

Ligands and binding sites

HG · Mercury (II) ion · metal · 4 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A, B
1PE · Pentaethylene glycol · additive · chains B

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

Pockets

11 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	379	0.62	0.78	60	PEG
2	353	0.61	0.78	52	PEG
3	221	0.51	0.76	36	empty
4	271	0.50	0.74	35	HG
5	165	0.44	0.75	33	empty

Interfaces

1 interface between chains.

A–B · 754 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4J0G · Tannin acyl hydrolase (mercury derivative) · 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 B3Y018
Elsewhere: RCSB PDB 4J0G · PDBe 4J0G · UniProt B3Y018

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