Structure of PDB 7kaz Chain C Binding Site BS01

Receptor Information
>7kaz Chain C (length=579) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMYYSYGNYEAFARPKKPENVENKSAYLIGSGLASLAAACFLIRDGQME
GSKIHILEELPKYVVRGGRAMENHFECLWDLFRSIPSLEIDNASVLDEFY
WLNKEDPNYSRCRVIEKQGQRLVTDGDFTLTKTAIKEILDLCLTNEEDLD
DVKITDVFSDDFFNSNFWIYWKTMFAFEPWHSAMEMRRYLMRFVHHISGL
ADFSALKFTKYNQYESLVLPMVEYLKSHGVQFEYDVKVEDIKIDVTTSQK
IAREILIDRNGNAESIKLTINDLVFVTNGSITESSTYGDNDTPAPPTDEL
GGSWTLWKNLARQSPEFGNPDKFCQNIPKKSWFVSATSTTNNKEIIDTIE
SICKRDPLAGKTVTGGIITINDSAWQMSFTINRQQQFKDQPENEISTWIY
ALYSDVNGDYIKKPITECSGNEICQEWLYHLGVSTDKIEDLAKHASNTIP
VYMPYITSYFMTRAIGDRPLVVPHQSQNLAFIGNFAETERDTVFTTEYSV
RTAMEAVYQLLNIDRGIPEVINSPFDLRVLMDAIYELNDHQDLREITKDS
KMQKLALAGFLKKIKGTYIESLLKEHKLL
Ligand information
Ligand IDWAD
InChIInChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyPAZZVPKITDJCPV-QGZVFWFLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCC[C@H](CCCCCCCCC(=O)O)O
CACTVS 3.385CCCCCCCC[C@@H](O)CCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCC(CCCCCCCCC(=O)O)O
CACTVS 3.385CCCCCCCC[CH](O)CCCCCCCCC(O)=O
ACDLabs 12.01C(CCCCC(CCCCCCCCC(O)=O)O)CCC
FormulaC18 H36 O3
Name(10R)-10-hydroxyoctadecanoic acid;
(R)-10-Hydroxystearic acid
ChEMBL
DrugBank
ZINCZINC000008218287
PDB chain7kaz Chain C Residue 601 [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]
PDB7kaz Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
Resolution1.854 Å
Binding residue
(original residue number in PDB)		R78 M186 F187 Y201 F205 F506
Binding residue
(residue number reindexed from 1)		R66 M174 F175 Y189 F193 F494
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.53: oleate hydratase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016829 lyase activity
GO:0050151 oleate hydratase activity
GO:0071949 FAD binding
Biological Process
GO:0006631 fatty acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kaz, PDBe:7kaz, PDBj:7kaz
PDBsum7kaz
PubMed33376139
UniProtA0A0D6GJV1

[Back to BioLiP]