Structure of PDB 1kya Chain B Binding Site BS05

Receptor Information
>1kya Chain B (length=499) Species: 5325 (Trametes versicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVID
NLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVD
WYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRL
VSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEA
NQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPL
NEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVP
VLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLH
GHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWF
LHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ
Ligand information
Ligand IDXYD
InChIInChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
InChIKeyVOWZNBNDMFLQGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Nc1cc(ccc1C)C
CACTVS 3.341Cc1ccc(C)c(N)c1
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)N)C
FormulaC8 H11 N
Name2,5-DIMETHYLANILINE;
2,5-XYLIDINE
ChEMBLCHEMBL249120
DrugBankDB02163
ZINCZINC000003860836
PDB chain1kya Chain B Residue 612 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kya Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F162 L164 D206 F265 H458
Binding residue
(residue number reindexed from 1)		F162 L164 D206 F265 H458
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
Catalytic site (residue number reindexed from 1) H64 H66 H109 H111 H395 H398 H400 H452 C453 H454 I455 H458 F463
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:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:1kya, PDBe:1kya, PDBj:1kya
PDBsum1kya
PubMed12044164
UniProtQ96UT7

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