Structure of PDB 3gdc Chain B Binding Site BS04

Receptor Information
>3gdc Chain B (length=285) Species: 290399 (Arthrobacter sp. FB24) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLAERAGIDPTAILRDFDRGRTSTLPDGRTLREWDIVAVDKDFEIAPGI
IFKGWSYNGRIPGPTLWAREGDALRIHFTNAGAHPHTIHFHGVHRATMDG
TPGIGAGSIAPGQSFTYEFDATPFGTHLYHCHQSPLAPHIAKGLYGGFIV
EPKEGRPPADDEMVMVMNGYNTDGGDDNEFYSVNGLPFHFMDFPVKVKQH
ELVRIHLINVLEYDPINSFHIHGNFFHYYPTGTMLTPSEYTDTISQVQGQ
RGILELRFPYPGKFMFHAHKTEFAELGWMGFFEVS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3gdc Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gdc A trimeric multicopper oxidase provides an evolutionary link to nitrite reductase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N184 D186 G188 D190 E192
Binding residue
(residue number reindexed from 1)		N171 D173 G175 D177 E179
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 H102 H104 H143 C144 H152 L157
Catalytic site (residue number reindexed from 1) H86 H89 H91 H130 C131 H139 L144
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:0050421 nitrite reductase (NO-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:3gdc, PDBe:3gdc, PDBj:3gdc
PDBsum3gdc
PubMed
UniProtA0AW19

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