Structure of PDB 7w78 Chain B Binding Site BS02

Receptor Information
>7w78 Chain B (length=344) Species: 257309 (Corynebacterium diphtheriae NCTC 13129) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFLGIRDIRAAAGRFALIASVVGLITLLIVMLTGLTQGLGKQNTSAIEAL
APHSVVFTTAGGSSPEFTSSEISEQQAERWKDSTPLGVSQTRIESDQNAN
TTAVMGLPEGTPLPDSVGGFIEQGALLPAELADFLHVRAGDHITLGGATV
TVAGTVKTENYSHTPVVWVDTATWQLVSHTKAVGTVLLLNQEPTIQPQDN
EVVTDLKGAFQAMPAYKSERSSLLSMQAFLYIISALVTVAFLTVWTLQRT
RDIAVLAALGASKRYLLIDALGQAAIILAAGVALGAGIGALLGWLIAGSV
PFSLGWVSVLGPALGIWLLGLIGATIAVRNVTKVDPQIALGATA
Ligand information
Ligand IDMYZ
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
InChIKeyYWWVWXASSLXJHU-WAYWQWQTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCC/C=C\CCCCCCCC(=O)O
OpenEye OEToolkits 1.7.6CCCCC=CCCCCCCCC(=O)O
CACTVS 3.385CCCC\C=C/CCCCCCCC(O)=O
CACTVS 3.385CCCCC=CCCCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCC\C=C/CCCC
FormulaC14 H26 O2
NameMyristoleic acid;
Z-tetradec-9-enoic acid
ChEMBLCHEMBL456732
DrugBank
ZINCZINC000004529321
PDB chain7w78 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w78 Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Resolution2.884 Å
Binding residue
(original residue number in PDB)		G13 L17
Binding residue
(residue number reindexed from 1)		G13 L17
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:7w78, PDBe:7w78, PDBj:7w78
PDBsum7w78
PubMed35767641
UniProtQ6NEF1

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