Structure of PDB 6msn Chain A

Receptor sequence

>6msnA (length=532) Species: 5664 (Leishmania major)

DFHFSAIFQPTDPHHHQTEFAKVEGSEKYVEEVEVFGRQALKVNPEALTI
LAHRAFSDVHHFFRKDHLEGWRRAIEDPEASDNDRYVATTLLKNACIAAG
RVLPSCQDTGTAIVLGKRGELCWTGGEDEKYLSKGIWNAYRYHNLRYSQT
AALDMFKECNTGDNLPAQLDLLAVPGSDYEFLFIAKGGGSANKAYLYQET
KALLNPKSLRAFIEEKLKTLGTAACPPYHIALVIGGTSAEMTMKTVKLAS
CRYYDSLPTTGDKYGRAFRDPEWEKIVMEVAQKSGIGAQFGGKYFAHQAR
VIRLPRHGASCPVGLAVSCSADRQILAHINKSGIYIEQLEQNPAQYLPTS
VKVDLKRPIDKVRQQLSQYPVGTRVMLNGTLIVARDIAHAKIKEMMDNGE
PLPEYMKTSPIYYAGPAKTPEGYASGSFGPTTAGRMDSYVDLFQSHGGSY
ITLAKGNRSKQVTDACKKHGGFYLGSIGGPAAILAKDSIKQVTCLAFPEL
GMEAVWKIEVEDFPAFIVVDDKGNDMYSKTLA

3D structure

• PDB: 6msn Crystal Structures of Fumarate Hydratases from Leishmania major in a Complex with Inhibitor 2-Thiomalate.
• Chain: A
• Resolution: 1.591 Å

Enzymatic activity

• Enzyme Commision number: 4.2.1.2: fumarate hydratase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	SF4	A	C133 D135 A251 C252 C346 A348 K491	C106 D108 A224 C225 C319 A321 K455
BS02	JYD	A	Q134 D135 R173 G216 R421 T467 T468 R471	Q107 D108 R146 G189 R385 T431 T432 R435	MOAD: Ki=8.9uM PDBbind-CN: -logKd/Ki=4.95,IC50=11.3uM

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

External links

• PDB: RCSB:6msn, PDBe:6msn, PDBj:6msn
• PDBsum: 6msn
• PubMed: 30645090
• UniProt: E9AE57|FUM2_LEIMA Fumarate hydratase 2 (Gene Name=FH2)