MolNFT v1 · #125428 · protein

Crystal structure of human FABP6 protein with fragment 1

5L8N · Gastrotropin: “Crystal structure of human FABP6 protein with fragment 1”. X-ray diffraction, 1 ligand (6RQ), 4 pockets (best druggability 0.78). MolNFT v1 #125428 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L8N
Type: protein
Length: 376 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gastrotropin
UniProt: P51161
Ligands: 6RQ
Pockets: 4 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Gastrotropin	protein	125	12% helix, 60% strand	P51161
B	Gastrotropin	protein	126	12% helix, 60% strand	P51161

Ligands and binding sites

6RQ · 5,6-dimethyl-1~{H}-benzimidazol-2-amine · ligand · 2 copies · chains A, B, C
PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B, C
P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · 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	854	0.78	0.81	75	PEG, P33
2	463	0.76	0.84	48	6RQ, PEG
3	523	0.76	0.83	51	6RQ, PEG
4	94	0.41	0.78	20	empty

Interfaces

3 interfaces between chains.

A–B · 609 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 176 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 73 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5L8N · crystal structure of human FABP6 protein with fragment 1 · 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 5L8N · PDBe 5L8N · UniProt P51161

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