MolNFT v1 · #44829 · protein

HIFABP_KETOROLAC_COMPLEX

2MJI · Fatty acid-binding protein, intestinal: “HIFABP_KETOROLAC_COMPLEX”. Solution nmr, 1 ligand (KTR), 1 pocket (best druggability 0.82). MolNFT v1 #44829 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2MJI
Type: protein
Length: 131 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fatty acid-binding protein, intestinal
UniProt: P12104
Ligands: KTR
Pockets: 1 · best druggability 0.82

Structure

solution nmr · 1 distinct chain · 11% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fatty acid-binding protein, intestinal	protein	131	11% helix, 51% strand	P12104

Ligands and binding sites

KTR · (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic 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	229	0.82	0.94	34	KTR

Compared structures

2MJI · HIFABP_Ketorolac_complex · the same entry in another collection · chain A against A, TM-score 1.00
P12104 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, intestinal (P12104) · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P12104
Elsewhere: RCSB PDB 2MJI · PDBe 2MJI · UniProt P12104

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