Structure of PDB 8u0y Chain A Binding Site BS03

Receptor Information
>8u0y Chain A (length=164) Species: 193556 (Ceramium secundatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKSVITTTISAADAAGRFPSSSDLESVQGNIQRAASRLEAAEKLAGNHEA
VVKEAGDACFAKYSYLKNPGEAGDSQEKINKCYRDIDHYMRLINYSLVVG
GTGPLDEWCIAGAREVYRTLNLPSSSYVAAFVFTRDRLCVPRDMSAQAGV
EYGAALDYVINSLC
Ligand information
Ligand IDPUB
InChIInChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
InChIKeyKDCCOOGTVSRCHX-YYVBKQGDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
CACTVS 3.341CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N=C(C[C@H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
FormulaC33 H42 N4 O6
NamePHYCOUROBILIN
ChEMBL
DrugBank
ZINCZINC000040164449
PDB chain8u0y Chain B Residue 202 [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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PDB8u0y Bacterial protein cpx
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R33 Q147
Binding residue
(residue number reindexed from 1)		R33 Q147
Annotation score4
External links