Structure of PDB 5s7k Chain A Binding Site BS04

Receptor Information
>5s7k Chain A (length=285) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETEL
YNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLD
TVSCLRIVLSIASGLAHLHIEIFGGKPAIAHRDLKSKNILVKKNGQCCIA
DLGLAVMHSQRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEV
ARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSD
PTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXEJ
InChIInChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
InChIKeyOTVXVVYHNZUDSN-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CC(=O)N)N
OpenEye OEToolkits 2.0.7C[C@H](CC(=O)N)N
CACTVS 3.385C[CH](N)CC(N)=O
ACDLabs 12.01CC(N)CC(N)=O
CACTVS 3.385C[C@@H](N)CC(N)=O
FormulaC4 H10 N2 O
Name(3R)-3-aminobutanamide
ChEMBL
DrugBank
ZINCZINC000034566495
PDB chain5s7k Chain A Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5s7k XChem group deposition
Resolution1.31 Å
Binding residue
(original residue number in PDB)		R247 G356 L357
Binding residue
(residue number reindexed from 1)		R46 G153 L154
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5s7k, PDBe:5s7k, PDBj:5s7k
PDBsum5s7k
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

[Back to BioLiP]