Structure of PDB 6gsg Chain A Binding Site BS04

Receptor Information
>6gsg Chain A (length=371) Species: 510516 (Aspergillus oryzae RIB40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPTTASSSTAVASSQLDQLANFAYNVTTDSVAGCTLQNLRVRRDWRAFS
KTQKKDYINSVLCLQKLPSRTPAHLAPGARTRYDDFVATHINQTQIIHYT
GTFLAWHRYFIYEFEQALRDECSYTGDYPYWNWGADADNMEKSQVFDGSE
TSMSGNGEYIPNQGDIKLLLGNYPAIDLPPGSGGGCVTSGPFKDYKLNLG
PAALSLPGGNMTAAANPLTYNPRCMKRSLTTEILQRYNTFPKIVELILDS
DDIWDFQMTMQGVPGSGSIGVHGGGHYSMGGDPGRDVYVSPGDTAFWLHH
GMIDRVWWIWQNLDLRKRQNAISGTGTFMNNPASPNTTLDTVIDLGYANG
GPIAMRDLMSTTAGPFCYVYL
Ligand information
Ligand IDRCO
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKeyGHMLBKRAJCXXBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1cccc(O)c1
FormulaC6 H6 O2
NameRESORCINOL;
1,3-BENZENEDIOL;
1,3-DIHYDROXYBENZENE
ChEMBLCHEMBL24147
DrugBankDB11085
ZINCZINC000000002028
PDB chain6gsg Chain A Residue 2013 [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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PDB6gsg Unraveling Substrate Specificity and Catalytic Promiscuity of Aspergillus oryzae Catechol Oxidase.
Resolution2.192 Å
Binding residue
(original residue number in PDB)		H110 H284 H288 Y289 V299
Binding residue
(residue number reindexed from 1)		H98 H272 H276 Y277 V287
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004097 catechol oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Cellular Component
External links
PDB RCSB:6gsg, PDBe:6gsg, PDBj:6gsg
PDBsum6gsg
PubMed30204291
UniProtQ2UNF9

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