Structure of PDB 6gsg Chain A Binding Site BS03

Receptor Information

>6gsg Chain A (length=371) Species: 510516 (Aspergillus oryzae RIB40)

TLPTTASSSTAVASSQLDQLANFAYNVTTDSVAGCTLQNLRVRRDWRAFS
KTQKKDYINSVLCLQKLPSRTPAHLAPGARTRYDDFVATHINQTQIIHYT
GTFLAWHRYFIYEFEQALRDECSYTGDYPYWNWGADADNMEKSQVFDGSE
TSMSGNGEYIPNQGDIKLLLGNYPAIDLPPGSGGGCVTSGPFKDYKLNLG
PAALSLPGGNMTAAANPLTYNPRCMKRSLTTEILQRYNTFPKIVELILDS
DDIWDFQMTMQGVPGSGSIGVHGGGHYSMGGDPGRDVYVSPGDTAFWLHH
GMIDRVWWIWQNLDLRKRQNAISGTGTFMNNPASPNTTLDTVIDLGYANG
GPIAMRDLMSTTAGPFCYVYL

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 6gsg Chain A Residue 2003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gsg Unraveling Substrate Specificity and Catalytic Promiscuity of Aspergillus oryzae Catechol Oxidase.
• Resolution: 2.192 Å
• Binding residue (original residue number in PDB): S13 T14 D150 T251
• Binding residue (residue number reindexed from 1): S9 T10 D138 T239
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004097 catechol oxidase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:6gsg, PDBe:6gsg, PDBj:6gsg
• PDBsum: 6gsg
• PubMed: 30204291
• UniProt: Q2UNF9