Structure of PDB 3h4h Chain A Binding Site BS01

Receptor Information
>3h4h Chain A (length=335) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVIDD
AGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLTHNIDFHAATG
ALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGMNGAI
MVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAYE
DTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTRP
HLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAYV
NHNLIEACELGAAAHFKVTGEWNDDLMTSVLAPSG
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain3h4h Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h4h Directed evolution of copper nitrite reductase to a chromogenic reductant.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H95 C136 H145 M150
Binding residue
(residue number reindexed from 1)		H91 C132 H141 M146
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H135 C136 H145 M150 H255 E279 T280 H306
Catalytic site (residue number reindexed from 1) H91 D94 H96 H131 C132 H141 M146 H251 E275 T276 H302
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:3h4h, PDBe:3h4h, PDBj:3h4h
PDBsum3h4h
PubMed20083495
UniProtP38501|NIR_ALCFA Copper-containing nitrite reductase (Gene Name=nirK)

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