MolNFT v1 · #176542 · protein

Crystal structure of a type-a feruloyl esterase from gut alistipes shahii

7DQ9 · Predicted hydrolases or acyltransferases (ALPHA/BETA…: “Crystal structure of a type-a feruloyl esterase from gut alistipes shahii”. X-ray diffraction, 8 pockets (best druggability 0.72). MolNFT v1 #176542 on GenesisL1: 3D structure…

PDB: 7DQ9
Type: protein
Length: 1,056 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily)
UniProt: D4INH0
Pockets: 8 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D	Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily)	protein	265	46% helix, 18% strand	D4INH0
C	Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily)	protein	261	44% helix, 18% strand	D4INH0

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	441	0.72	0.82	43	empty
2	290	0.69	0.84	42	empty
3	302	0.69	0.83	41	empty
4	396	0.67	0.80	40	empty
5	243	0.56	0.78	33	empty

Interfaces

3 interfaces between chains.

B–D · 383 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 338 Å² buried · 1 hydrogen bond · protein-protein
A–B · 211 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

7DQ9 · Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii · 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 D4INH0
Elsewhere: RCSB PDB 7DQ9 · PDBe 7DQ9 · UniProt D4INH0

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