Structure of PDB 4csc Chain A Binding Site BS01

Receptor Information
>4csc Chain A (length=429) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSTNLKDVLAALIPKEQARIKTFRQQHGGTALGQITVDMSYGGMRGMKG
LVYETSVLDPDEGIRFRGFSIPECQKLLPKGGGGEPLPEGLFWLLVTGQI
PTGAQVSWLSKEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSE
SNFARAYAEGILRTKYWEMVYESAMDLIAKLPCVAAKIYRNLYRAGSSIG
AIDSKLDWSHNFTNMLGYTDAQFTELMRLYLTIHSDHEGGNVSAHTSHLV
GSALSDPYLSFAAAMNGLAGPLHGLANQEVLGWLAQLQKAAGADASLRDY
IWNTLNSGRVVPGYGHAVLRKTDPRYTCQREFALKHLPGDPMFKLVAQLY
KIVPNVLLEQGAAANPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALG
VLAQLIWSRALGFPLERPKSMSTDGLIAL
Ligand information
Ligand IDMLT
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKeyBJEPYKJPYRNKOW-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[CH](CC(O)=O)C(O)=O
CACTVS 3.370O[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)O)C(=O)O
OpenEye OEToolkits 1.7.6C([C@H](C(=O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C(O)CC(=O)O
FormulaC4 H6 O5
NameD-MALATE;
(2R)-2-HYDROXYBUTANEDIOIC ACID;
2-HYDROXY-SUCCINIC ACID
ChEMBLCHEMBL225986
DrugBankDB03499
ZINCZINC000000895264
PDB chain4csc Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4csc 1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H238 N242 H274 H320 R329 R401
Binding residue
(residue number reindexed from 1)		H237 N241 H273 H316 R325 R397
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S244 H274 H320 R329 D375
Catalytic site (residue number reindexed from 1) S243 H273 H316 R325 D371
Enzyme Commision number 2.3.3.1: citrate (Si)-synthase.
Gene Ontology
Molecular Function
GO:0004108 citrate (Si)-synthase activity
GO:0016740 transferase activity
GO:0036440 citrate synthase activity
GO:0042802 identical protein binding
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006099 tricarboxylic acid cycle
GO:0006101 citrate metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4csc, PDBe:4csc, PDBj:4csc
PDBsum4csc
PubMed2043640
UniProtP23007|CISY_CHICK Citrate synthase, mitochondrial (Gene Name=CS)

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