Structure of PDB 5lww Chain A Binding Site BS01

Receptor Information
>5lww Chain A (length=550) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNTPWQGYDINTNYYETIPQTNVVREYWFDIVNTTAALDGVERPVLLVNG
QFPGPTIEANWGDTVKVHVTNRMENNGTAIHFHGIRQLYNNQMDGVAALT
QCPVPPNSSYTYVWRAEEYGSSWYHSHFSLQAWEGVFGGILIHGPSTAEY
DHDLGMVFLNDWSHQTVDEMYQSVLESQNPPHFQTGLINGSNIWVTADNQ
TVGRRFQTEFVPGQRYRLRLVNAAMHTHFRFSIDNHDLTVIASDFVPIVP
FTTNNVPIGMGQRYDIIVTANQAPDNYWIRAIPQSFCSDNANSDNIKGVL
HYEGAADNSDPTSTKWDYGDDIQCLDFSLDELVPWLALDADIGGAQMAES
DVDFTPFGDVPLYLWTMGGNALNISWKDPTLQQTFEDPDKMDWKASQGVI
EAAIPNKWTVLVVQTDLPVPHPIHLHGHDFYLLAQGFGQFNPQNVTLKTH
NPPRRDTALMTAATPENGGGGYMVIGFPADNPGVWLIHCHIGFHATEGFA
QQIVERQSEFNTFFSEDLLENTCDAWDEYAKVNPYGHQYRALAGPYESGI
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain5lww Chain A Residue 612 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lww Structure and function of Aspergillus niger laccase McoG
Resolution2.65 Å
Binding residue
(original residue number in PDB)
H110 H152 H517
Binding residue
(residue number reindexed from 1)
H83 H125 H490
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H108 H110 H152 H154 H448 H451 H453 H515 C516 H517 I518 H521 F526
Catalytic site (residue number reindexed from 1) H81 H83 H125 H127 H421 H424 H426 H488 C489 H490 I491 H494 F499
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:0005575 cellular_component

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:5lww, PDBe:5lww, PDBj:5lww
PDBsum5lww
PubMed
UniProtA2QS62

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