Structure of PDB 6uqn Chain B Binding Site BS02

Receptor Information
>6uqn Chain B (length=532) Species: 347515 (Leishmania major strain Friedlin) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFHFSAIFQPTDPHHHQTEFAKVEGSEKYVEEVEVFGRQALKVNPEALTI
LAHRAFSDVHHFFRKDHLEGWRRAIEDPEASDNDRYVATTLLKNACIAAG
RVLPSCQDTGTAIVLGKRGELCWTGGEDEKYLSKGIWNAYRYHNLAYSQT
AALDMFKECNTGDNLPAQLDLLAVPGSDYEFLFIAKGGGSANKAYLYQET
KALLNPKSLRAFIEEKLKTLGTAACPPYHIALVIGGTSAEMTMKTVKLAS
CRYYDSLPTTGDKYGRAFRDPEWEKIVMEVAQKSGIGAQFGGKYFAHQAR
VIRLPRHGASCPVGLAVSCSADRQILAHINKSGIYIEQLEQNPAQYLPTS
VKVDLKRPIDKVRQQLSQYPVGTRVMLNGTLIVARDIAHAKIKEMMDNGE
PLPEYMKTSPIYYAGPAKTPEGYASGSFGPTTAGRMDSYVDLFQSHGGSY
ITLAKGNRSKQVTDACKKHGGFYLGSIGGPAAILAKDSIKQVTCLAFPEL
GMEAVWKIEVEDFPAFIVVDDKGNDMYSKTLA
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain6uqn Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uqn Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Resolution3.298 Å
Binding residue
(original residue number in PDB)		Q134 D135 G216 R421 T467 T468 R471
Binding residue
(residue number reindexed from 1)		Q107 D108 G189 R385 T431 T432 R435
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.2: fumarate hydratase.
Gene Ontology
Molecular Function
GO:0004333 fumarate hydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006106 fumarate metabolic process
GO:0006108 malate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0020015 glycosome
GO:0097014 ciliary plasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6uqn, PDBe:6uqn, PDBj:6uqn
PDBsum6uqn
PubMed31743022
UniProtE9AE57|FUM2_LEIMA Fumarate hydratase 2 (Gene Name=FH2)

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