Structure of PDB 6i3k Chain B Binding Site BS04

Receptor Information
>6i3k Chain B (length=534) Species: 1859699 (Albifimbria verrucaria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQV
YPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFS
RAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQA
GLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFW
GDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPF
KVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSI
GGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPR
QFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGATHPI
HIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFP
GVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYE
LGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE
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 chain6i3k Chain B Residue 604 [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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PDB6i3k Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H94 H96 H401 H403
Binding residue
(residue number reindexed from 1)		H94 H96 H401 H403
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.3.5: bilirubin oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047705 bilirubin oxidase activity

View graph for
Molecular Function
External links
PDB RCSB:6i3k, PDBe:6i3k, PDBj:6i3k
PDBsum6i3k
PubMed31548583
UniProtQ12737|BLRO_ALBVE Bilirubin oxidase

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