Structure of PDB 5oxg Chain A Binding Site BS02

Receptor Information

>5oxg Chain A (length=293) Species: 9606 (Homo sapiens)

TVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELY
NTVMLRHENILGFIASDMTSSTQLWLITHYHEMGSLYDYLQLTTLDTVSC
LRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADL
GLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIW
AFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRP
NIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKI

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5oxg Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5oxg Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2.
• Resolution: 2.13 Å
• Binding residue (original residue number in PDB): E413 R416 Y427 K428
• Binding residue (residue number reindexed from 1): E208 R211 Y222 K223
• Annotation score: 1

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

External links

• PDB: RCSB:5oxg, PDBe:5oxg, PDBj:5oxg
• PDBsum: 5oxg
• PubMed: 28918311
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)