Structure of PDB 8rww Chain A Binding Site BS01

Receptor Information
>8rww Chain A (length=334) Species: 45398 (Streptomyces griseoviridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAAQHLADGIAASGPAPDLAAAAAFLEMGDRLGVVAHLDPDRTLETAEVA
AALDLPEPALVRYLDAVESAGLVIREGEGRYRACPDFDTIRHQAGYISWT
MNANRPFIENARDFFTDWDKAARTHVRDYREVAVSSQWMGSHAFYPTALA
TIIDAAPRKVVDLGAGTCRLLIEVLGAVPGSTGVGLDFAADACRAAEQAV
AQAGMTDRLTVVERTIQSVATDPGVLEGADVIHAGFVFHDMLPEEEDVCD
QVLANCRESLAPGGFLAITDAVPYLRNDRERRFSAAVSYYHGEFMRRRLQ
SEEEWVERLRGAGFSDVRALTLAFPTGRLFLAHR
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 chain8rww Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8rww Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H244 H296
Binding residue
(residue number reindexed from 1)		H239 H291
Annotation score4
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8rww, PDBe:8rww, PDBj:8rww
PDBsum8rww
PubMed38887142
UniProtR9UTR3

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