Structure of PDB 4j3r Chain A Binding Site BS01

Receptor Information
>4j3r Chain A (length=372) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLPTTASSSTAVASSQLDQLANFAYNVTTDSVAGCTLQNLRVRRDWRAF
SKTQKKDYINSVLCLQKLPSRTPAHLAPGARTRYDDFVATHINQTQIIHY
TGTFLAWHRYFIYEFEQALRDECSYTGDYPYWNWGADADNMEKSQVFDGS
ETSMSGNGEYIPNQGDIKLLLGNYPAIDLPPGSGGGCVTSGPFKDYKLNL
GPAALSLPGGNMTAAANPLTYNPRCMKRSLTTEILQRYNTFPKIVELILD
SDDIWDFQMTMQGVPGSGSIGVHGGGHYSMGGDPGRDVYVSPGDTAFWLH
HGMIDRVWWIWQNLDLRKRQNAISGTGTFMNNPASPNTTLDTVIDLGYAN
GGPIAMRDLMSTTAGPFCYVYL
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 chain4j3r Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4j3r The crystal structure of an extracellular catechol oxidase from the ascomycete fungus Aspergillus oryzae.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H102 H110 H119
Binding residue
(residue number reindexed from 1)		H91 H99 H108
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.1: catechol oxidase.
Gene Ontology
Molecular Function
GO:0004097 catechol oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005575 cellular_component

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4j3r, PDBe:4j3r, PDBj:4j3r
PDBsum4j3r
PubMed24043469
UniProtQ2UNF9

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