Structure of PDB 3gyr Chain D Binding Site BS03

Receptor Information
>3gyr Chain D (length=587) Species: 1890 (Streptomyces antibioticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGELTPFAAPLTVPPVLRPASDEVTRETEIALRPTWVRLHPQLPPTLMW
GYDGQVPGPTIEVRRGQRVRIAWTNRIPKGSEYPVTSVEVPLGPPGTPAP
NTEPGRGGVEPNKDVAALPAWSVTHLHGAQTGGGNDGWADNAVGFGDAQL
SEYPNDHQATQWWYHDHAMNITRWNVMAGLYGTYLVRDDEEDALGLPSGD
REIPLLIADRNLDTDEDGRLNGRLLHKTVIVQQSNPETGKPVSIPFFGPY
TTVNGRIWPYADVDDGWYRLRLVNASNARIYNLVLIDEDDRPVPGVVHQI
GSDGGLLPRPVPVDFDDTLPVLSAAPAERFDLLVDFRALGGRRLRLVDKG
PGAPAGTPDPLGGVRYPEVMEFRVRETCEEDSFALPEVLSGSFRRMSHDI
PHGHRLIVLTPPGTKGSGGHPEIWEMAEVEQVPAEGVIQVTGADGRTKTY
RRTARTFNDGLGFTIGEGTHEQWTFLNLSPILHPMHIHLADFQVLGRDAY
DASGFDLALGGTRTPVRLDPDTPVPLAPNELGHKDVFQVPGPQGLRVMGK
FDGAYGRFMYHCHLLEHEDMGMMRPFVVMPPEALKFD
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 chain3gyr Chain D Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3gyr Structure of Phenoxazinone Synthase from Streptomyces Antibioticus Reveals a New Type 2 Copper Center.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H434 H438 H440
Binding residue
(residue number reindexed from 1)		H398 H402 H404
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.4: o-aminophenol oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050149 o-aminophenol oxidase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3gyr, PDBe:3gyr, PDBj:3gyr
PDBsum3gyr
PubMed16584173
UniProtQ53692|PHSA_STRAT O-aminophenol oxidase (Gene Name=phsA)

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