Structure of PDB 4ghm Chain A Binding Site BS01

Receptor Information
>4ghm 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
HNEFAEQCVERIFTDIMRYCQPQSLTVYARYTRRGGLDINPFRSSHQSAP
NHNQRMARQ
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 chain4ghm 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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PDB4ghm Crystal Structure of the H233A mutant of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with preQ0
Resolution1.618 Å
Binding residue
(original residue number in PDB)		W62 E94 S95 C194 D201 F232 E234 I267
Binding residue
(residue number reindexed from 1)		W34 E66 S67 C166 D173 F204 E206 I239
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C194 T197 D201 A233 E234
Catalytic site (residue number reindexed from 1) C166 T169 D173 A205 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:4ghm, PDBe:4ghm, PDBj:4ghm
PDBsum4ghm
PubMed
UniProtQ9KTK0|QUEF_VIBCH NADPH-dependent 7-cyano-7-deazaguanine reductase (Gene Name=queF)

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