Structure of PDB 4qcd Chain A Binding Site BS02

Receptor Information
>4qcd Chain A (length=242) 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]
SLTNSSLMPTLNPMIQQLALAIAASWQSLPLKPYQLPEDLGYVEGRLEGE
KLVIENRCYQTPQFRKMHLELAKVGKGLDILHCVMFPEPLYGLPLFGCDI
VAGPGGVSAAIADLSPTQSDRQLPAAYQKSLAELGQPEFEQQRELPPWGE
IFSEYCLFIRPSNVTEEERFVQRVVDFLQIHCHQSIVAEPLSEAQTLEHR
QGQIHYCQQQQKNDKTRRVLEKAFGEAWAERYMSQVLFDVIQ
Ligand information
Ligand IDD3O
InChIInChI=1S/H2O/h1H2/p+1/i/hD3
InChIKeyXLYOFNOQVPJJNP-ZRLBSURWSA-O
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 1.9.2		[2H][O+]([2H])[2H]
CACTVS 3.385[O+]([2H])([2H])[2H]
FormulaD3 O
Nametrideuteriooxidanium;
perdeuterated oxonium
ChEMBL
DrugBank
ZINC
PDB chain4qcd Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qcd Insights into the Proton Transfer Mechanism of a Bilin Reductase PcyA Following Neutron Crystallography.
Resolution1.551 Å
Binding residue
(original residue number in PDB)		H74 H88 L243
Binding residue
(residue number reindexed from 1)		H68 H82 L237
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.7.5: phycocyanobilin:ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0050620 phycocyanobilin:ferredoxin oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4qcd, PDBe:4qcd, PDBj:4qcd
PDBsum4qcd
PubMed25872660
UniProtQ55891|PCYA_SYNY3 Phycocyanobilin:ferredoxin oxidoreductase (Gene Name=pcyA)

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