Structure of PDB 5uzp Chain B Binding Site BS01

Receptor Information
>5uzp Chain B (length=436) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSTNLKDILADLIPKEQARIKTFRQQHGKTVVGQITVDMMYGGMRGMKG
LVYETSVLDPDEGIRFRGFSIPECQKLLPKAKGGEEPLPEGLFWLLVTGH
IPTEEQVSWLSKEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAVTALNS
ESNFARAYAQGISRTKYWELIYEDSMDLIAKLPCVAAKIYRNLYREGSGI
GAIDSNLDWSHNFTNMLGYTDHQFTELTRLYLTIHSDHEGGNVSAHTSHL
VGSALSDPYLSFAAAMNGLAGPLHGLANQEVLVWLTQLQKEVGKDVSDEK
LRDYIWNTLNSGRVVPGYGHGVLRKTDPRYTCQREFALKHLPNDPMFKLV
AQLYKIVPNVLLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVS
RALGVLAQLIWSRALGFPLERPKSMSTEGLMKFVDS
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain5uzp Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uzp Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		H265 N269 H301 R428
Binding residue
(residue number reindexed from 1)		H238 N242 H274 R401
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S271 H301 H347 R356 D402
Catalytic site (residue number reindexed from 1) S244 H274 H320 R329 D375
Enzyme Commision number 2.3.3.1: citrate (Si)-synthase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
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:0005634 nucleus
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5uzp, PDBe:5uzp, PDBj:5uzp
PDBsum5uzp
PubMed31141475
UniProtO75390|CISY_HUMAN Citrate synthase, mitochondrial (Gene Name=CS)

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