Structure of PDB 4iqi Chain A Binding Site BS01

Receptor Information
>4iqi Chain A (length=259) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQYDPSLLQPVPRSLNRNDLHLSATLPFQGCDIWTLYELSWLNQKGLPQV
AIGEVSIPATSANLIESKSFKLYLNSYNQTRFASWDEVQTRLVHDLSACA
GETVTVNVKSLNEYTAEPIVTMQGECIDDQDIEIANYEFDDALLQGAAQG
EEVSEVLHSHLLKSNCLITNQPDWGSVEIAYHGAKMNREALLRYLVSFRE
HNEFHEQCVERIFTDIMRYCQPQSLTVYARYTRRGGLDINPFRSSHQSAP
NHNQRMARQ
Ligand information
Ligand IDCYT
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1N=CC=C(N)N1
OpenEye OEToolkits 1.5.0C1=C(NC(=O)N=C1)N
CACTVS 3.341NC1=CC=NC(=O)N1
FormulaC4 H5 N3 O
Name6-AMINOPYRIMIDIN-2(1H)-ONE;
CYTOSINE
ChEMBLCHEMBL15913
DrugBank
ZINCZINC000000895210
PDB chain4iqi Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iqi Crystal Structure of 7-cyano-7-deazaguanine Reductase, QueF from Vibrio cholerae O1 biovar El Tor complexed with cytosine
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I93 S95 E234 I267
Binding residue
(residue number reindexed from 1)		I65 S67 E206 I239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C194 T197 D201 H233 E234
Catalytic site (residue number reindexed from 1) C166 T169 D173 H205 E206
Enzyme Commision number 1.7.1.13: preQ1 synthase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0016491 oxidoreductase activity
GO:0033739 preQ1 synthase activity
GO:0046857 oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor
Biological Process
GO:0006400 tRNA modification
GO:0008150 biological_process
GO:0008616 queuosine biosynthetic process
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4iqi, PDBe:4iqi, PDBj:4iqi
PDBsum4iqi
PubMed
UniProtQ9KTK0|QUEF_VIBCH NADPH-dependent 7-cyano-7-deazaguanine reductase (Gene Name=queF)

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