Structure of PDB 3rzp Chain B Binding Site BS01

Receptor Information
>3rzp Chain B (length=258) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQYDPSLLQPVPRSLNRNDLHLSATLPFQGCDIWTLYELSWLNQKGLPQV
AIGEVSIPATSANLIESKSFKLYLNSYNQTRFASWDEVQTRLVHDLSACA
GETVTVNVKSLNEYTAEPIVTMQGECIDDQDIEIANYEFDDALLQGAAQG
EEVSEVLHSHLLKSNALITQPDWGSVEIAYHGAKMNREALLRYLVSFREH
NEFHEQCVERIFTDIMRYCQPQSLTVYARYTRRGGLDINPFRSSHQSAPN
HNQRMARQ
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 chain3rzp Chain B Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3rzp Crystal Structure of the C194A mutant of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with preQ1
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W62 I93 E94 S95 D201 F232 H233 E234 I267
Binding residue
(residue number reindexed from 1)		W34 I65 E66 S67 D172 F203 H204 E205 I238
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) A194 T197 D201 H233 E234
Catalytic site (residue number reindexed from 1) A166 T169 D172 H204 E205
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3rzp, PDBe:3rzp, PDBj:3rzp
PDBsum3rzp
PubMed
UniProtQ9KTK0|QUEF_VIBCH NADPH-dependent 7-cyano-7-deazaguanine reductase (Gene Name=queF)

[Back to BioLiP]