Structure of PDB 3uxj Chain A Binding Site BS01

Receptor Information
>3uxj Chain A (length=261) 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]
YANQYDPSLLQPVPRSLNRNDLHLSATLPFQGCDIWTLYELSWLNQKGLP
QVAIGEVSIPATSANLIESKSFKLYLNSYNQTRFASWDEVQTRLVHDLSA
CAGETVTVNVKSLNEYTAEPIVTMQGECIDDQDIEIANYEFDDALLQGAA
QGEEVSEVLHSHLLKSNCLITNQPDWGSVEIAYHGAKMNREALLRYLVSF
REHNEFHEQCVERIFTDIMRYCQPQSLTVYARYTRLGGLDINPFRSSHQS
APNHNQRMARQ
Ligand information
Ligand IDPRF
InChIInChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
InChIKeyMEYMBLGOKYDGLZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCc1c[nH]c2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)CN
ACDLabs 10.04O=C1c2c(cnc2N=C(N1)N)CN
FormulaC7 H9 N5 O
Name7-DEAZA-7-AMINOMETHYL-GUANINE
ChEMBLCHEMBL1235432
DrugBankDB03304
ZINCZINC000003869370
PDB chain3uxj Chain A Residue 1194 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uxj Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with NADP and PreQ0
Resolution1.401 Å
Binding residue
(original residue number in PDB)		E94 S95 C194 D201 F232 H233 E234 I267
Binding residue
(residue number reindexed from 1)		E68 S69 C168 D175 F206 H207 E208 I241
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C194 T197 D201 H233 E234
Catalytic site (residue number reindexed from 1) C168 T171 D175 H207 E208
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:3uxj, PDBe:3uxj, PDBj:3uxj
PDBsum3uxj
PubMed
UniProtQ9KTK0|QUEF_VIBCH NADPH-dependent 7-cyano-7-deazaguanine reductase (Gene Name=queF)

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