Structure of PDB 5jrr Chain A Binding Site BS05

Receptor Information
>5jrr Chain A (length=439) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPSFPEPKVVRSQGGLLSLKLSATPTPLAIAGQRATLLTYGGSFPGPTLR
VRPRDTVRLTLENRLPEPTNLHWHGLPISPKVDDPFLEIPPGESWTYEFT
VPKELAGTFWYHPHLHGRVAPQLFAGLLGALVVESSLDAIPELREAEEHL
LVLKDLALQGGRPAPHTPMDWMNGKEGDLVLVNGALRPTLVAQKATLRLR
LLNASNARYYRLALQDHPLYLIAADGGFLEEPLEVSELLLAPGERAEVLV
RLRKEGRFLLQALPYDRGAMGMMDMGGMAHAMPQGPSRPETLLYLIAPKN
PKPLPLPKALSPFPTLPAPVVTRRLVLTEDMMAARFFINGQVFDHRRVDL
KGQAQTVEVWEVENQGDMDHPFHLHVHPFQVLSVGGRPFPYRAWKDVVNL
KAGEVARLLVPLREKGRTVFHCHIVEHEDRGMMGVLEVG
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain5jrr Chain A Residue 519 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jrr Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H95 H135 H137 H396 H444 H446
Binding residue
(residue number reindexed from 1)		H72 H112 H114 H373 H421 H423
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H95 H97 H135 H137 H393 H396 H398 H444 C445 H446 I447 H450 M455
Catalytic site (residue number reindexed from 1) H72 H74 H112 H114 H370 H373 H375 H421 C422 H423 I424 H427 M432
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5jrr, PDBe:5jrr, PDBj:5jrr
PDBsum5jrr
PubMed
UniProtQ72HW2

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