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Structure of PDB 6qbx Chain AA Binding Site BS01

Receptor Information
>6qbx Chain AA (length=80) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLTLEGIKDRVLYVLKLYDKIDPEKLSVNSHFMKDLGLDSLDQVEIIMAM
EDEFGFEIPDIDAEKLMCPQEIVDYIADKK
Ligand information
Ligand IDZMP
InChIInChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1
InChIKeyHDTINWYIVVMRIN-HSZRJFAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
ACDLabs 12.01OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
FormulaC25 H49 N2 O8 P S
NameS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
ChEMBL
DrugBank
ZINCZINC000145431082
PDB chain6qbx Chain AA Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6qbx Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Resolution4.2 Å
Binding residue
(original residue number in PDB)
D43 S44
Binding residue
(residue number reindexed from 1)
D39 S40
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D43
Catalytic site (residue number reindexed from 1) D39
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006633 fatty acid biosynthetic process

View graph for
Biological Process
External links

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