Structure of PDB 6ttd Chain A Binding Site BS05

Receptor Information
>6ttd Chain A (length=457) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKQSLNIPGYSLFSDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPV
IFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSY
PDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDL
EYGVTDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVE
RKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEIL
VAPGERIDILVDFRDASVNDVIKLYNFPHNLIMGMADNSEFEVMEFRVTK
DSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYAN
PQDINNPKVLFEQNNGDVVILEYVNNTGTYHPMHIHGFQFQVLERSLGPL
GATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMM
VNYRVNA
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 chain6ttd Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ttd Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase
Resolution1.801 Å
Binding residue
(original residue number in PDB)
H118 H159 H161 H454 H508 H510
Binding residue
(residue number reindexed from 1)
H74 H115 H117 H384 H438 H440
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0051301 cell division
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:6ttd, PDBe:6ttd, PDBj:6ttd
PDBsum6ttd
PubMed
UniProtO67206

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