Structure of PDB 8ovd Chain M Binding Site BS05

Receptor Information
>8ovd Chain M (length=380) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPTDAELAEMSREELVKLGGKIDGVETIFKEPRWPVPGTKAEKRTERLVA
YWLMLGGLSGLALLLVFLFWPWEYQPFGSEGEFLYSLATPLYGLTFGLSI
LSIGIGAVLFQKKFIPEEISVQDRHDGRSPEVHRKTVAANLTDALEGSTL
KRRKVIGLSLGIGLGAFGAGTLVAFIGGLIKNPWKPVVPTAEGKKAVLWT
SGWTPRFKGETIYLARATGRPGESPFVKMRPEDIDAGGMETVFPWRESDG
DGTTVESEHKLTEIAMGVRNPVMLIRIKPADMHRVIKRKGQESFNFGELF
AYTKVCSHLGCPSSLYEQQTYRILCPCHQSQFDALEFAKPIFGPAARALA
QLPITIDEDGYLVANGDFVEPVGPAFWERK
Ligand information
Ligand IDMQ9
InChIInChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26-,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+
InChIKeyWCRXHNIUHQUASO-ABFXHILCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
FormulaC56 H80 O2
NameMENAQUINONE-9
ChEMBL
DrugBank
ZINCZINC000098209188
PDB chain8ovd Chain M Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ovd Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G201 L204 G205 G208 F215
Binding residue
(residue number reindexed from 1)		G161 L164 G165 G168 F175
Annotation score4
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:8ovd, PDBe:8ovd, PDBj:8ovd
PDBsum8ovd
PubMed38902248
UniProtA0R051

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