Structure of PDB 6hk5 Chain C Binding Site BS02

Receptor Information
>6hk5 Chain C (length=63) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERGRKRLGIYLAHFLDHVEGHMGEIGVQRDALAEDARLGALIDRALADMA
VARASLNAVLRDL
Ligand information
Ligand IDZ3P
InChIInChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyXJGZCDJZBUBTKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CC[P](=O)(CCC(O)=O)CCC(O)=O
ACDLabs 12.01O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 2.0.4C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O
FormulaC9 H15 O7 P
Name3,3',3''-phosphoryltripropanoic acid
ChEMBL
DrugBank
ZINCZINC000145743383
PDB chain6hk5 Chain D Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hk5 The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site.
Resolution2.042 Å
Binding residue
(original residue number in PDB)		N62 L65
Binding residue
(residue number reindexed from 1)		N57 L60
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links