Structure of PDB 6vwe Chain B Binding Site BS01

Receptor Information
>6vwe Chain B (length=104) Species: 416870 (Lactococcus cremoris subsp. cremoris MG1363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAEIPKEMLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATL
YTIFDRLEQDGIISSYWGDRRKYYRLTEIGHENCRLAFESWSRVRKIIEN
LEAN
Ligand information
Ligand IDJY1
InChIInChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19;2*1-4-6(3)5-2;/h2*14H,3-10H2,1-2H3,(H,15,17);2*4-5H2,1-3H3;/q;;;;-4/p+4
InChIKeyWBSWUPZUVFVXQZ-UHFFFAOYSA-R
SMILES
SoftwareSMILES
CACTVS 3.385[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O
ACDLabs 12.01C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC
OpenEye OEToolkits 2.0.7CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O
FormulaC36 H74 N6 O6 P4 Rh
Namebis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
ChEMBL
DrugBank
ZINC
PDB chain6vwe Chain A 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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PDB6vwe A Positive Charge in the Outer Coordination Sphere of an Artificial Enzyme Increases CO2 Hydrogenation
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C89 W96 R100
Binding residue
(residue number reindexed from 1)		C84 W91 R95
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links