Structure of PDB 1lco Chain B Binding Site BS02
Receptor Information
>1lco Chain B (length=391) Species:
4932
(Saccharomyces cerevisiae) [
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TKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAFYSSGANDE
VTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALCK
LGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQWY
QLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKQGASR
ALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGVVL
SNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDVLK
ALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVTSI
AELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA
Ligand information
Ligand ID
PPY
InChI
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey
BTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1ccc(cc1)CC(=O)C(=O)O
CACTVS 3.341
OC(=O)C(=O)Cc1ccccc1
ACDLabs 10.04
O=C(C(=O)O)Cc1ccccc1
Formula
C9 H8 O3
Name
3-PHENYLPYRUVIC ACID
ChEMBL
CHEMBL1162488
DrugBank
DB03884
ZINC
ZINC000000901485
PDB chain
1lco Chain B Residue 580 [
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Receptor-Ligand Complex Structure
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PDB
1lco
X-ray structure of two complexes of the Y143F flavocytochrome b2 mutant crystallized in the presence of lactate or phenyl lactate.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
F143 A198 L199 H373 R376
Binding residue
(residue number reindexed from 1)
F42 A97 L98 H253 R256
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
S228 Y254 T280 D282 K349 H373
Catalytic site (residue number reindexed from 1)
S127 Y153 T179 D181 K229 H253
Enzyme Commision number
1.1.2.3
: L-lactate dehydrogenase (cytochrome).
Gene Ontology
Molecular Function
GO:0016491
oxidoreductase activity
GO:0020037
heme binding
View graph for
Molecular Function
External links
PDB
RCSB:1lco
,
PDBe:1lco
,
PDBj:1lco
PDBsum
1lco
PubMed
7632684
UniProt
P00175
|CYB2_YEAST L-lactate dehydrogenase (cytochrome) (Gene Name=CYB2)
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