Structure of PDB 1zdq Chain C Binding Site BS03

Receptor Information
>1zdq Chain C (length=336) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVID
DAGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLMHNIDFHAAT
GALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGGNGA
IMVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAY
EDTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTR
PHLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAY
VNHNLIEAFELGAAAHFKVTGEWNDDLMTSVLAPSG
Ligand information
Ligand IDMSM
InChIInChI=1S/C2H6S/c1-3-2/h1-2H3
InChIKeyQMMFVYPAHWMCMS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CSC
ACDLabs 10.04sulfanediyldimethane
FormulaC2 H6 S
Name(METHYLSULFANYL)METHANE
ChEMBLCHEMBL15580
DrugBank
ZINC
PDB chain1zdq Chain C Residue 1509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1zdq A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L93 W144 H145
Binding residue
(residue number reindexed from 1)		L90 W141 H142
Annotation score1
Binding affinityMOAD: Kd=21.4mM
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H135 C136 H145 G150 H255 E279 T280 H306
Catalytic site (residue number reindexed from 1) H92 D95 H97 H132 C133 H142 G147 H252 E276 T277 H303
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050421 nitrite reductase (NO-forming) activity
Biological Process
GO:0019333 denitrification pathway
GO:0042128 nitrate assimilation
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zdq, PDBe:1zdq, PDBj:1zdq
PDBsum1zdq
PubMed16574144
UniProtP38501|NIR_ALCFA Copper-containing nitrite reductase (Gene Name=nirK)

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