Structure of PDB 1que Chain A Binding Site BS01

Receptor Information
>1que Chain A (length=303) Species: 1168 (Nostoc sp. PCC 7119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQAKAKHADVPVNLYRPNAPFIGKVISNEPLVKEGGIGIVQHIKFDLTGG
NLKYIEGQSIGIIPPGVDKNGKPEKLRLYSIASTRHGDDVDDKTISLCVR
QLEYKHPESGETVYGVCSTYLTHIEPGSEVKITGPVGKEMLLPDDPEANV
IMLATGTGIAPMRTYLWRMFKDAERAANPEYQFKGFSWLVFGVPTTPNIL
YKEELEEIQQKYPDNFRLTYAISREQKNPQGGRMYIQDRVAEHADQLWQL
IKNQKTHTYICGLRGMEEGIDAALSAAAAKEGVTWSDYQKDLKKAGRWHV
ETY
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1que Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1que X-ray structure of the ferredoxin:NADP+ reductase from the cyanobacterium Anabaena PCC 7119 at 1.8 A resolution, and crystallographic studies of NADP+ binding at 2.25 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S223 R224 R233 Y235
Binding residue
(residue number reindexed from 1)		S223 R224 R233 Y235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y79 S80 C261 E301 Y303
Catalytic site (residue number reindexed from 1) Y79 S80 C261 E301 Y303
Enzyme Commision number 1.18.1.2: ferredoxin--NADP(+) reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:1que, PDBe:1que, PDBj:1que
PDBsum1que
PubMed8890910
UniProtP21890|FENR_NOSSO Ferredoxin--NADP reductase (Gene Name=petH)

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