Structure of PDB 8ugr Chain 5n Binding Site BS01

Receptor Information
>8ugr Chain 5n (length=172) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYLTHQQKVLRLYKRALRHLESWCVHRDKYRYFACLMRARFDEHKNEKDM
VKATQLLRQAEEEFWYGQHPQPYIFPESPGGTSYERYECYKVPEWCLDDW
HPSEKAMYPDYFAKREQWKRLRRESWEREVKQLQEETPPGGPRTEALPPA
RKEGDLPPLWWHIVTRPRERPM
Ligand information
Ligand IDEHZ
InChIInChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1
InChIKeyJYSKQPQRUCZFIQ-REWPJTCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O
CACTVS 3.385CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
CACTVS 3.385CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O
FormulaC25 H49 N2 O9 P S
Name~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
ChEMBL
DrugBank
ZINC
PDB chain8ugr Chain 5n Residue 201 [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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PDB8ugr High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution6.5 Å
Binding residue
(original residue number in PDB)		H11 Q12 V15 L26 R46 F47 H50 K51 E53 A59 L62 A66 F70 G73
Binding residue
(residue number reindexed from 1)		H5 Q6 V9 L20 R40 F41 H44 K45 E47 A53 L56 A60 F64 G67
Annotation score1
External links