Structure of PDB 3vkq Chain A Binding Site BS02

Receptor Information
>3vkq Chain A (length=538) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAAERLEPRVEEKDGYWILKEQFRKGINPQEKVKIEKEPMKLFMENGIEE
LAKIPIEEIDQSKLTKDDIDVRLKWLGLFHRRKNQYGRFMMRLKLPNGVT
TSAQTRYLASVIRKYGKEGCADITTRQNWQIRGVVLPDVPEILKGLAEVG
LTSLQSGMDNVRNPVGNPLAGIDPEEIVDTRPYTNLLSQFITGNSRGNPA
VSNLPRKWNPCVVGSHDLYEHPHINDLAYMPATKDGRFGFNLLVGGFFSA
KRCDEAIPLDAWVPADDVVPVCRAILEAFRDLGFRGNRQKCRMMWLIDEL
GVEGFRAEVEKRMPQQQLERASPEDLVQKQWERRDYLGVHPQKQEGYSFI
GLHIPVGRVQADDMDELARLADEYGSGEIRLTVEQNIIIPNIETSKIEAL
LKEPVLSTFSPDPPILMKGLVACTGNQFCGQAIIETKARSLKITEEVQRQ
VSLTKPVRMHWTGCPNTCAQVQVADIGFMGCLTRDKNGKTVEGADVFLGG
RIGSDSHLGEVYKKAVPCDDLVPLVVDLLVNNFGAVPR
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3vkq Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vkq The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C440 C446 A449 G480 C481 N483 C485
Binding residue
(residue number reindexed from 1)		C423 C429 A432 G463 C464 N466 C468
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R109 R179 R223 K224 N226 C440 C446 G480 C481 C485 A486
Catalytic site (residue number reindexed from 1) R92 R162 R206 K207 N209 C423 C429 G463 C464 C468 A469
Enzyme Commision number 1.7.7.1: ferredoxin--nitrite reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048307 ferredoxin-nitrite reductase activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042128 nitrate assimilation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vkq, PDBe:3vkq, PDBj:3vkq
PDBsum3vkq
PubMed22499059
UniProtQ76KB0

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