Structure of PDB 5l8n Chain C Binding Site BS01

Receptor Information
>5l8n Chain C (length=125) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTGKFEMESEKNYDEFMKLLGISSDVIEKARNFKIVTEVQQDGQDFTWSQ
HYSGGHTMTNKFTVGKESNIQTMGGKTFKATVQMEGGKLVVNFPNYHQTS
EIVGDKLVEVSTIGGVTYERVSKRL
Ligand information
Ligand ID6RQ
InChIInChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
InChIKeyYPFQISHSXCFZMU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc2[nH]c(N)nc2cc1C
OpenEye OEToolkits 2.0.5Cc1cc2c(cc1C)nc([nH]2)N
FormulaC9 H11 N3
Name5,6-dimethyl-1~{H}-benzimidazol-2-amine
ChEMBLCHEMBL3793369
DrugBank
ZINCZINC000017025187
PDB chain5l8n Chain C Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5l8n Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
Resolution2.12 Å
Binding residue
(original residue number in PDB)		M9 E12 Y15 A32 R33 I37 Y54
Binding residue
(residue number reindexed from 1)		M7 E10 Y13 A30 R31 I35 Y52
Annotation score1
Binding affinityMOAD: Kd=31uM
BindingDB: Kd=2800nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005504 fatty acid binding
GO:0008289 lipid binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006869 lipid transport
GO:0008285 negative regulation of cell population proliferation
GO:0015908 fatty acid transport
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5l8n, PDBe:5l8n, PDBj:5l8n
PDBsum5l8n
PubMed27500412
UniProtP51161|FABP6_HUMAN Gastrotropin (Gene Name=FABP6)

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