Research workbench

Crystal structure of human FABP6 in complex with cholate

Analyse Crystal structure of human FABP6 in complex with cholate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5L8O
Type: protein
Length: 372 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gastrotropin
UniProt: P51161
Ligands: CHD
Pockets: 5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 60% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gastrotropin	protein	122	12% helix, 60% strand	P51161
B, C	Gastrotropin	protein	125	12% helix, 60% strand	P51161

Ligands and binding sites

CHD · Cholic acid · ligand · chains B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	649	0.80	0.84	55	CHD, PEG
2	422	0.77	0.85	44	PEG
3	456	0.76	0.84	48	empty
4	338	0.55	0.75	33	empty
5	59	0.32	0.76	16	empty

Interfaces

3 interfaces between chains.

A–B · 666 Å² buried · 14 hydrogen bonds · protein-protein
B–C · 130 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 60 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5L8O · crystal structure of human FABP6 in complex with cholate · the same entry in another collection · chain A against A, TM-score 1.00
P51161 · AlphaFold monomer V2.0 prediction for gastrotropin (P51161) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P51161
Elsewhere: RCSB PDB 5L8O · PDBe 5L8O · UniProt P51161

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.