Structure of PDB 6y74 Chain B Binding Site BS01

Receptor Information
>6y74 Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQ
LPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPG
SEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEEN
SAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPC
AQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVI
EASFPAGV
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 chain6y74 Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6y74 Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX
Resolution1.53 Å
Binding residue
(original residue number in PDB)		H226 H228 H251
Binding residue
(residue number reindexed from 1)		H90 H92 H115
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H200 H226 H228 E238 H251 T332
Catalytic site (residue number reindexed from 1) H64 H90 H92 E102 H115 T196
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6y74, PDBe:6y74, PDBj:6y74
PDBsum6y74
PubMed
UniProtQ16790|CAH9_HUMAN Carbonic anhydrase 9 (Gene Name=CA9)

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