Structure of PDB 5l8n Chain A Binding Site BS01

Receptor Information
>5l8n Chain A (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 A 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)		E12 Y15 A32 I37
Binding residue
(residue number reindexed from 1)		E10 Y13 A30 I35
Annotation score1
Binding affinityMOAD: Kd=31uM
PDBbind-CN: -logKd/Ki=4.51,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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