Structure of PDB 3gyr Chain B Binding Site BS01

Receptor Information

>3gyr Chain B (length=587) Species: 1890 (Streptomyces antibioticus)

APGELTPFAAPLTVPPVLRPASDEVTRETEIALRPTWVRLHPQLPPTLMW
GYDGQVPGPTIEVRRGQRVRIAWTNRIPKGSEYPVTSVEVPLGPPGTPAP
NTEPGRGGVEPNKDVAALPAWSVTHLHGAQTGGGNDGWADNAVGFGDAQL
SEYPNDHQATQWWYHDHAMNITRWNVMAGLYGTYLVRDDEEDALGLPSGD
REIPLLIADRNLDTDEDGRLNGRLLHKTVIVQQSNPETGKPVSIPFFGPY
TTVNGRIWPYADVDDGWYRLRLVNASNARIYNLVLIDEDDRPVPGVVHQI
GSDGGLLPRPVPVDFDDTLPVLSAAPAERFDLLVDFRALGGRRLRLVDKG
PGAPAGTPDPLGGVRYPEVMEFRVRETCEEDSFALPEVLSGSFRRMSHDI
PHGHRLIVLTPPGTKGSGGHPEIWEMAEVEQVPAEGVIQVTGADGRTKTY
RRTARTFNDGLGFTIGEGTHEQWTFLNLSPILHPMHIHLADFQVLGRDAY
DASGFDLALGGTRTPVRLDPDTPVPLAPNELGHKDVFQVPGPQGLRVMGK
FDGAYGRFMYHCHLLEHEDMGMMRPFVVMPPEALKFD

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 3gyr Chain B Residue 1000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gyr Structure of Phenoxazinone Synthase from Streptomyces Antibioticus Reveals a New Type 2 Copper Center.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H524 C603 H608
• Binding residue (residue number reindexed from 1): H483 C562 H567
• Annotation score: 1

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

External links

• PDB: RCSB:3gyr, PDBe:3gyr, PDBj:3gyr
• PDBsum: 3gyr
• PubMed: 16584173
• UniProt: Q53692|PHSA_STRAT O-aminophenol oxidase (Gene Name=phsA)