Structure of PDB 4bv9 Chain A Binding Site BS02

Receptor Information
>4bv9 Chain A (length=303) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAPAFLSAEEVQDHLRSSSLLIPPLEAALANFSKGPDGGVMQPVRTVVPV
AKHRGFLGVMPAYSAAEDALTTKLVTFYEVPSHQASVLLFDPSNGSLLAV
MDGNVITAKRTAAVSAIATKLLKPPGSDVLCILGAGVQAYSHYEIFTEQF
SFKEVRMWNRTRENAEKFASTVQGDVRVCSSVQEAVTGADVIITVTMATE
PILFGEWVKPGAHINAVGASRPDWRELDDELMRQAVLYVDSREAALKESG
DVLLSGADIFAELGEVISGAKPAHCEKTTVFKSLGMAVEDLVAAKLVYDS
WSS
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4bv9 Chain A Residue 1313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bv9 Crystal Structure of Mouse Mu-Crystallin Complexed with Nadph and the T3 Thyroid Hormone
Resolution2.193 Å
Binding residue
(original residue number in PDB)		R47 M62 K75 R118
Binding residue
(residue number reindexed from 1)		R45 M60 K73 R110
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G60 S228
Catalytic site (residue number reindexed from 1) G58 S220
Enzyme Commision number 1.5.1.25: thiomorpholine-carboxylate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003714 transcription corepressor activity
GO:0016491 oxidoreductase activity
GO:0042562 hormone binding
GO:0042803 protein homodimerization activity
GO:0047127 thiomorpholine-carboxylate dehydrogenase activity
GO:0050661 NADP binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0007605 sensory perception of sound
GO:0042403 thyroid hormone metabolic process
GO:0070327 thyroid hormone transport
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bv9, PDBe:4bv9, PDBj:4bv9
PDBsum4bv9
PubMed24467707
UniProtO54983|CRYM_MOUSE Ketimine reductase mu-crystallin (Gene Name=Crym)

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