Structure of PDB 1hyo Chain A Binding Site BS04

Receptor Information
>1hyo Chain A (length=416) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSFIPVAEDSDFPIQNLPYGVFSTQSNPKPRIGVAIGDQILDLSVIKHLF
TGPALSKHQHVFDETTLNNFMGLGQAAWKEARASLQNLLSASQARLRDDK
ELRQRAFTSQASATMHLPATIGDYTDFYSSRQHATNVGIMFRGKENALLP
NWLHLPVGYHGRASSIVVSGTPIRRPMGQMRPDNSKPPVYGACRLLDMEL
EMAFFVGPGNRFGEPIPISKAHEHIFGMVLMNDWSARDIQQWEYVPLGPF
LGKSFGTTISPWVVPMDALMPFVVPNPKQDPKPLPYLCHSQPYTFDINLS
VSLKGEGMSQAATICRSNFKHMYWTMLQQLTHHSVNGCNLRPGDLLASGT
ISGSDPESFGSMLELSWKGTKAIDVGQGQTRTFLLDGDEVIITGHCQGDG
YRVGFGQCAGKVLPAL
Ligand information
Ligand IDHBU
InChIInChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyMZTALSPOBPYJPG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[P](O)(=O)CC(=O)CC(O)=O
ACDLabs 10.04O=C(CC(=O)O)CP(=O)(O)C
OpenEye OEToolkits 1.5.0C[P@](=O)(CC(=O)CC(=O)O)O
OpenEye OEToolkits 1.5.0CP(=O)(CC(=O)CC(=O)O)O
CACTVS 3.341C[P@](O)(=O)CC(=O)CC(O)=O
FormulaC5 H9 O5 P
Name4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID
ChEMBL
DrugBankDB01832
ZINCZINC000003581252
PDB chain1hyo Chain A Residue 1012 [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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PDB1hyo Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D126 F127 Y128 H133 Y159 K253 G349 T350
Binding residue
(residue number reindexed from 1)		D126 F127 Y128 H133 Y159 K253 G349 T350
Annotation score1
Binding affinityMOAD: Ki=84.8uM
Enzymatic activity
Catalytic site (original residue number in PDB) D126 H133 E199 E201 D233 R237 Q240 K253 T257 E364
Catalytic site (residue number reindexed from 1) D126 H133 E199 E201 D233 R237 Q240 K253 T257 E364
Enzyme Commision number 3.7.1.2: fumarylacetoacetase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004334 fumarylacetoacetase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006527 arginine catabolic process
GO:0006559 L-phenylalanine catabolic process
GO:0006572 tyrosine catabolic process
GO:0006629 lipid metabolic process
GO:0009072 aromatic amino acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1hyo, PDBe:1hyo, PDBj:1hyo
PDBsum1hyo
PubMed11154690
UniProtP35505|FAAA_MOUSE Fumarylacetoacetase (Gene Name=Fah)

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