Structure of PDB 1ntd Chain A Binding Site BS02

Receptor Information
>1ntd Chain A (length=336) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVIDD
AGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLMHNIDFHAATG
ALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGENGAI
MVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAYE
DTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTRP
HLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAYV
NHNLIEAFELGAAAHFKVTGEWNDDLMTSVLAPSGT
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 chain1ntd Chain A Residue 502 [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]
PDB1ntd Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H100 H135
Binding residue
(residue number reindexed from 1)		H96 H131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H135 C136 H145 E150 H255 E279 T280 H306
Catalytic site (residue number reindexed from 1) H91 D94 H96 H131 C132 H141 E146 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ntd, PDBe:1ntd, PDBj:1ntd
PDBsum1ntd
PubMed7547950
UniProtP38501|NIR_ALCFA Copper-containing nitrite reductase (Gene Name=nirK)

[Back to BioLiP]