Structure of PDB 5s7y Chain B Binding Site BS03

Receptor Information
>5s7y Chain B (length=290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVM
LRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCL
RIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAV
MHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGL
VLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPN
RWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXJP
InChIInChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
InChIKeyQLBSFPQCZZUQIJ-GBXIJSLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@H]1CS[C@@H](N)N1
OpenEye OEToolkits 2.0.7C1[C@@H](N[C@@H](S1)N)N
CACTVS 3.385N[CH]1CS[CH](N)N1
ACDLabs 12.01NC1NC(SC1)N
OpenEye OEToolkits 2.0.7C1C(NC(S1)N)N
FormulaC3 H9 N3 S
Name(2S,4R)-1,3-thiazolidine-2,4-diamine
ChEMBL
DrugBank
ZINC
PDB chain5s7y Chain B Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s7y XChem group deposition
Resolution1.37 Å
Binding residue
(original residue number in PDB)		Q452 Q453 N456
Binding residue
(residue number reindexed from 1)		Q243 Q244 N247
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.30: receptor protein serine/threonine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004675 transmembrane receptor protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007178 cell surface receptor protein serine/threonine 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:5s7y, PDBe:5s7y, PDBj:5s7y
PDBsum5s7y
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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