Structure of PDB 6pme Chain C Binding Site BS01

Receptor Information
>6pme Chain C (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLKMLVAVKALKEASESAR
QDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSH
GPDAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVV
KIGDFGMSRDIYSTDYYRVRTMLPIRWMPPESILYRKFTTESDVWSFGVV
LWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQR
EPQQRHSIKDVHARLQALAQAPPV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6pme Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pme Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H504 C579 E581
Binding residue
(residue number reindexed from 1)		H5 C75 E77
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D650 R654 N655 D668
Catalytic site (residue number reindexed from 1) D136 R140 N141 D154
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004714 transmembrane receptor protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway
Cellular Component
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:6pme, PDBe:6pme, PDBj:6pme
PDBsum6pme
PubMed33479642
UniProtP04629|NTRK1_HUMAN High affinity nerve growth factor receptor (Gene Name=NTRK1)

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