Structure of PDB 6mso Chain B

Receptor sequence

>6msoB (length=540) Species: 5664 (Leishmania major)

AEFNFVPLVSKVSHKETKYRLLTKDYVSVVQPGAGLPEMLRVDPAALTLL
SSTAFDDVEHLLRSSHLMSLRKIFDDPEASDNDKFVALQLLKNANISSAR
LLPGCQDTGTAIIAGYRGDQVFVPGNDEEALSRGVYDIFQKRNFRYSQNV
PLSMYDEKNTGTNLPAQIDLYASKGMEYSFMFVAKGGGSANKSFLLQETK
SVLNPKSLRNFLKEKLAMFGTSACPPYHVAVVIGGTSAEMTMKVLKYASC
HYYDDLITKPDMKTGYTFRDLELEEEVLKVCQNIGMGAQFGGKYYAHDVR
VIRMPRHGASCPIGIGVSCSADRQALGKINKDGVWLEELEMEPSQYLPDL
KEDELLKTPAVMVNLNRPMPEVLQELSKHPVRTRLSLTGTIIVARDSAHA
RMREMLEAGKPLPQYMKEHPVYYAGPAKQPDGLPSGSFGPTTAGRMDPFV
DLFQSHGGSMVMLAKGNRSKQVTKACHKYGGFYLGSIGGPAAVLAQNAIK
KVECLDMKDLGMEAVWRIEVENFPAFIVVDDKGNDFFEQL

3D structure

• PDB: 6mso Crystal Structures of Fumarate Hydratases from Leishmania major in a Complex with Inhibitor 2-Thiomalate.
• Chain: B
• Resolution: 2.053 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	B	C114 A232 C233 C328 A330 K474	C105 A223 C224 C319 A321 K465
BS02	JYD	B	Q115 D116 R154 G197 R404 T451 R454 K474	Q106 D107 R145 G188 R395 T442 R445 K465	MOAD: Ki=3uM PDBbind-CN: -logKd/Ki=5.42,IC50=3.8uM

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• 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:0006099 tricarboxylic acid cycle
• GO:0006106 fumarate metabolic process
• GO:0006108 malate metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion

External links

• PDB: RCSB:6mso, PDBe:6mso, PDBj:6mso
• PDBsum: 6mso
• PubMed: 30645090
• UniProt: Q4QAU9|FUM1_LEIMA Fumarate hydratase 1, mitochondrial (Gene Name=FH1)