Structure of PDB 6i3k Chain A Binding Site BS05

Receptor Information
>6i3k Chain A (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 IDFC6
InChIInChI=1S/6CN.Fe/c6*1-2;
InChIKeyHCMVSLMENOCDCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N
ACDLabs 10.04
CACTVS 3.341		N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
FormulaC6 Fe N6
NameHEXACYANOFERRATE(3-);
FERRI(III)HEXACYANIDE
ChEMBL
DrugBank
ZINC
PDB chain6i3k Chain A Residue 611 [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)		R356 G393 N394 G395
Binding residue
(residue number reindexed from 1)		R356 G393 N394 G395
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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