Structure of PDB 1t7q Chain B Binding Site BS02

Receptor Information
>1t7q Chain B (length=599) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMAHQDALPRLPVPPLQQSLDYYLKALQPIVSEEEWAHTKQLVDEFQTS
GGVGERLQKGLERRAKKMENWLSEWWLKTAYLQFRQPVVIYSSPGVILPK
QDFVDLQGQLRFAAKLIEGVLDFKSMIDNETLPVEFLGGQPLCMNQYYQI
LSSCRVPGPKQDSVVNFLKSKRPPTHITVVHNYQFFELDVYHSDGTPLTS
DQIFVQLEKIWNSSLQSNKEPVGILTSNHRNTWAKAYNNLIKDKVNRESV
NSIQKSIFTVCLDKQVPRVSDDVYRNHVAGQMLHGGGSKFNSGNRWFDKT
LQFIVAEDGSCGMVYEHAAAEGPPIVALVDHVMEYTKKPELVRSPMVPLP
MPKKLRFNITPEIKNDIEKAKQNLSIMIQDLDIMMLTFHHFGKDFPKSEK
LSPDAFIQVALQLAYYRIYGQACATYESASLRMFHLGRTDTIRSASIDSL
AFVKGMGDSTVPEQQKVELLRKAVQAHRAYTDRAIRGEAFDRHLLGLKLQ
AIEDLVSMPDIFMDTSYAIAMHFNLSTSQVPAKTDCVMAFGPVVPDGYGI
CYNPMEAHINFSVSAYNSCAETNAARMAHYLEKALLDMRTLLQNHPRAK
Ligand information
Ligand ID152
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1
InChIKeyPHIQHXFUZVPYII-ZCFIWIBFSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N+](C)(C)C[C@@H](CC(=O)O)O
CACTVS 3.341C[N+](C)(C)C[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CC(CC(=O)O)O
CACTVS 3.341C[N+](C)(C)C[C@H](O)CC(O)=O
ACDLabs 10.04O=C(O)CC(O)C[N+](C)(C)C
FormulaC7 H16 N O3
NameCARNITINE;
(3-CARBOXY-2-(R)-HYDROXY-PROPYL)-TRIMETHYL-AMMONIUM
ChEMBLCHEMBL1229656
DrugBankDB02648
ZINCZINC000003079340
PDB chain1t7q Chain B Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t7q Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H343 Y452 S454 T465 S552 F566
Binding residue
(residue number reindexed from 1)		H317 Y426 S428 T439 S526 F540
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y107 P120 H343 S554
Catalytic site (residue number reindexed from 1) Y81 P94 H317 S528
Enzyme Commision number 2.3.1.137: carnitine O-octanoyltransferase.
2.3.1.7: carnitine O-acetyltransferase.
Gene Ontology
Molecular Function
GO:0003997 acyl-CoA oxidase activity
GO:0004092 carnitine O-acetyltransferase activity
GO:0008458 carnitine O-octanoyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0019254 carnitine metabolic process, CoA-linked
GO:0033540 fatty acid beta-oxidation using acyl-CoA oxidase
GO:0046459 short-chain fatty acid metabolic process
GO:0051791 medium-chain fatty acid metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005777 peroxisome
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1t7q, PDBe:1t7q, PDBj:1t7q
PDBsum1t7q
PubMed15155726
UniProtP47934|CACP_MOUSE Carnitine O-acetyltransferase (Gene Name=Crat)

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