Structure of PDB 5m85 Chain A Binding Site BS01

Receptor Information
>5m85 Chain A (length=159) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQNIFRATSDEVRHLLSCDRVLVYRFNPDWSGEFIHESVAQMWEPLKDLQ
NNFPLWQDTYLQENEGGRYRNHESLAVGDVETAGFTDCHLDNLRRFEIRA
FLTVPVFVGEQLWGLLGAYQNGAPRHWQAREIHLLHQIANQLGVAVYQAQ
LLARFQELE
Ligand information
Ligand ID3CX
InChIInChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1
InChIKeyINEWUCPYEUEQTN-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CCC(CC1)NCC(CS(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)CC(O)CNC1CCCCC1
CACTVS 3.370O[C@@H](CNC1CCCCC1)C[S](O)(=O)=O
CACTVS 3.370O[CH](CNC1CCCCC1)C[S](O)(=O)=O
FormulaC9 H19 N O4 S
Name(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000002168583
PDB chain5m85 Chain A Residue 702 [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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PDB5m85 Structural elements regulating the photochromicity in a cyanobacteriochrome
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y500 A523 G524 F525
Binding residue
(residue number reindexed from 1)		Y60 A83 G84 F85
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A480 P494 R594
Catalytic site (residue number reindexed from 1) A40 P54 R154
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:5m85, PDBe:5m85, PDBj:5m85
PDBsum5m85
PubMed
UniProtP73184

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