Structure of PDB 7pbi Chain E Binding Site BS02

Receptor Information
>7pbi Chain E (length=523) Species: 979746 (Gulosibacter chungangensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPDGVSAEQFANAISEFSETIGSEYVRVDEATVSEYDDKFPVTDGDEFK
GSAVIWPGSTEDVQVIVRIANKYGIPLHAFSGGRNLGYGGSSPMLTGTVL
LHLGKRMNRVLEINEKLAYAVVEPGVDYKTLYEAVRDSGAKLMIDPAELD
WGSVMGNTMEHGVGYTPYADHSMWRCGMEVVLADGEVLRTGMGGLPGSEA
WHLYPGQLGPSIEGLFEQSNFGICTRMGMQLMPTPPEMLSFAIYFENEDD
LPAIMETTLPLRIGMAPLQAAPIVRNVTFDAACVSKREEWQTEPGPLTDE
AKQRMVDELGIGHWIVYGTCYGPRWQIDKYIEMIRDAYLQIPGARFETNE
TLPLREGDRASELLNARHELNTGVPNRHSAAVFDWFPNAGHFFYAPVSAP
SGEDAAKQYEDTKRISDDHGIDYLAQFIIGLREMHHICLPLYDTADPASR
KETLDMTRELIRAGAEEGYGIYRAHNVLADQVAETYSFNNHIQRRSHERI
KDALDPNGILNPGKSGIWPERLR
Ligand information
Ligand IDH7Y
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKeyBJIOGJUNALELMI-ONEGZZNKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C/C=C/c1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(C=CC)ccc1O
OpenEye OEToolkits 1.7.6CC=Cc1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(/C=C/C)ccc1O
FormulaC10 H12 O2
NameISOEUGENOL
ChEMBLCHEMBL193598
DrugBank
ZINCZINC000000391122
PDB chain7pbi Chain E Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pbi Discovery, Biocatalytic Exploration and Structural Analysis of a 4-Ethylphenol Oxidase from Gulosibacter chungangensis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y92 V167 R279 F283 F397 I441 Y476
Binding residue
(residue number reindexed from 1)		Y88 V163 R275 F279 F393 I437 Y472
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004458 D-lactate dehydrogenase (cytochrome) activity
GO:0008720 D-lactate dehydrogenase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:1903457 lactate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7pbi, PDBe:7pbi, PDBj:7pbi
PDBsum7pbi
PubMed34523783
UniProtA0A7J5BGR1

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