Structure of PDB 8rww Chain A Binding Site BS02

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 IDCOI
InChIInChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(C(=O)O)CC(C)C
OpenEye OEToolkits 1.7.6CC(C)CC(=O)C(=O)O
CACTVS 3.370CC(C)CC(=O)C(O)=O
FormulaC6 H10 O3
Name2-OXO-4-METHYLPENTANOIC ACID;
alpha-ketoisocaproic acid
ChEMBLCHEMBL445647
DrugBankDB03229
ZINCZINC000001532578
PDB chain8rww Chain A Residue 1002 [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)		W104 R132 H244 H296
Binding residue
(residue number reindexed from 1)		W99 R127 H239 H291
Annotation score1
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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