MolNFT v1 · #76614 · protein

Crystal structures of cmer-bile acid complexes from campylobacter jejuni

3QQA: “Crystal structures of cmer-bile acid complexes from campylobacter jejuni”. X-ray diffraction, 1 ligand (TCH), 2 pockets (best druggability 0.72). MolNFT v1 #76614 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QQA
Type: protein
Length: 200 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cmer
UniProt: Q7B8P6
Ligands: TCH
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cmer	protein	200	74% helix, 0% strand	Q7B8P6

Ligands and binding sites

TCH · Taurocholic acid · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	423	0.72	0.82	31	TCH
2	59	0.35	0.78	14	empty

Compared structures

3QQA · Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni · 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 Q7B8P6
Elsewhere: RCSB PDB 3QQA · PDBe 3QQA · UniProt Q7B8P6

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