Structure of PDB 4q89 Chain A Binding Site BS04

Receptor Information
>4q89 Chain A (length=501) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWG
YNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHQHEEPEVKTVV
HLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHD
HAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDG
SLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRV
INASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIII
DFTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKY
LASYIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEIWSI
INPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPPSEK
GWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDITDP
H
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 chain4q89 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q89 The crystal structure of CotA laccase complexed with sinapic acid
Resolution2.31 Å
Binding residue
(original residue number in PDB)		H107 H153 H493
Binding residue
(residue number reindexed from 1)		H103 H149 H482
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.2: laccase.
1.3.3.5: bilirubin oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0030435 sporulation resulting in formation of a cellular spore
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4q89, PDBe:4q89, PDBj:4q89
PDBsum4q89
PubMed
UniProtP07788|COTA_BACSU Laccase (Gene Name=cotA)

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