MolNFT v1 · #101328 · protein

Crystal structure of FABP4 in complex with novel inhibitor

4NNS · Fatty acid-binding protein, adipocyte: “Crystal structure of FABP4 in complex with novel inhibitor”. X-ray diffraction, 1 ligand (75D), 1 pocket (best druggability 0.85). MolNFT v1 #101328 on GenesisL1: 3D structure, binding sites…

PDB: 4NNS
Type: protein
Length: 134 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fatty acid-binding protein, adipocyte
UniProt: P15090
Ligands: 75D
Pockets: 1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fatty acid-binding protein, adipocyte	protein	134	16% helix, 57% strand	P15090

Ligands and binding sites

75D · 2,4,6-tri(propan-2-yl)benzenesulfonic acid · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.85	0.95	33	75D

Compared structures

4NNS · Crystal structure of FABP4 in complex with novel inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P15090 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, adipocyte (P15090) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P15090
Elsewhere: RCSB PDB 4NNS · PDBe 4NNS · UniProt P15090

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