6MSO
Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004333 | molecular_function | fumarate hydratase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0006091 | biological_process | generation of precursor metabolites and energy |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006106 | biological_process | fumarate metabolic process |
| A | 0006108 | biological_process | malate metabolic process |
| A | 0008152 | biological_process | metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016836 | molecular_function | hydro-lyase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004333 | molecular_function | fumarate hydratase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0006091 | biological_process | generation of precursor metabolites and energy |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006106 | biological_process | fumarate metabolic process |
| B | 0006108 | biological_process | malate metabolic process |
| B | 0008152 | biological_process | metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016836 | molecular_function | hydro-lyase activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051536 | molecular_function | iron-sulfur cluster binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004333 | molecular_function | fumarate hydratase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0006091 | biological_process | generation of precursor metabolites and energy |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006106 | biological_process | fumarate metabolic process |
| C | 0006108 | biological_process | malate metabolic process |
| C | 0008152 | biological_process | metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016836 | molecular_function | hydro-lyase activity |
| C | 0042803 | molecular_function | protein homodimerization activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| C | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004333 | molecular_function | fumarate hydratase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0006091 | biological_process | generation of precursor metabolites and energy |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006106 | biological_process | fumarate metabolic process |
| D | 0006108 | biological_process | malate metabolic process |
| D | 0008152 | biological_process | metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016836 | molecular_function | hydro-lyase activity |
| D | 0042803 | molecular_function | protein homodimerization activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051536 | molecular_function | iron-sulfur cluster binding |
| D | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 A 601 |
| Chain | Residue |
| A | CYS114 |
| A | GLN115 |
| A | GLY195 |
| A | CYS233 |
| A | CYS328 |
| A | ALA330 |
| A | LYS474 |
| A | JYD608 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 602 |
| Chain | Residue |
| A | TYR28 |
| A | LYS337 |
| A | HIS23 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 603 |
| Chain | Residue |
| A | LYS288 |
| A | GLN291 |
| A | LYS302 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 604 |
| Chain | Residue |
| A | LYS150 |
| A | ARG151 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 605 |
| Chain | Residue |
| A | ARG278 |
| A | ASP307 |
| A | ARG309 |
| A | HOH890 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 606 |
| Chain | Residue |
| A | GLN438 |
| A | HOH878 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE A 607 |
| Chain | Residue |
| A | LEU30 |
| A | LYS33 |
| A | ASP341 |
| A | TRP344 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue JYD A 608 |
| Chain | Residue |
| A | GLN115 |
| A | ASP116 |
| A | ARG154 |
| A | GLY196 |
| A | GLY197 |
| A | ARG404 |
| A | THR450 |
| A | THR451 |
| A | ARG454 |
| A | LYS474 |
| A | SF4601 |
| A | HOH826 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue 1PE A 609 |
| Chain | Residue |
| A | GLN354 |
| B | GLN354 |
| B | TYR355 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue 1PE A 610 |
| Chain | Residue |
| A | ALA409 |
| A | ARG412 |
| A | GLU413 |
| A | GLU416 |
| A | HOH827 |
| B | ASN213 |
| B | SER216 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE A 611 |
| Chain | Residue |
| A | GLN463 |
| A | GLY466 |
| A | TYR488 |
| A | HOH892 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 B 601 |
| Chain | Residue |
| B | CYS114 |
| B | GLN115 |
| B | GLY195 |
| B | CYS233 |
| B | CYS328 |
| B | ALA330 |
| B | LYS474 |
| B | JYD604 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 602 |
| Chain | Residue |
| B | HIS23 |
| B | TYR28 |
| B | LYS337 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 603 |
| Chain | Residue |
| B | GLY520 |
| B | MET521 |
| B | HOH816 |
| site_id | AD6 |
| Number of Residues | 12 |
| Details | binding site for residue JYD B 604 |
| Chain | Residue |
| B | GLN115 |
| B | ASP116 |
| B | ARG154 |
| B | GLY196 |
| B | GLY197 |
| B | ARG404 |
| B | THR450 |
| B | THR451 |
| B | ARG454 |
| B | LYS474 |
| B | SF4601 |
| B | HOH717 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue 1PE B 605 |
| Chain | Residue |
| B | LYS33 |
| B | ASP341 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue 1PE B 606 |
| Chain | Residue |
| B | GLU87 |
| B | GLN291 |
| B | LYS302 |
| B | HOH774 |
| B | HOH793 |
| B | HOH794 |
| site_id | AD9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 C 601 |
| Chain | Residue |
| C | CYS114 |
| C | GLN115 |
| C | GLY195 |
| C | ALA232 |
| C | CYS233 |
| C | CYS328 |
| C | ALA330 |
| C | LYS474 |
| C | JYD604 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 602 |
| Chain | Residue |
| D | HOH775 |
| C | LYS215 |
| C | SER216 |
| C | ASN219 |
| C | HOH802 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue 1PE C 603 |
| Chain | Residue |
| C | GLN354 |
| D | ARG80 |
| site_id | AE3 |
| Number of Residues | 12 |
| Details | binding site for residue JYD C 604 |
| Chain | Residue |
| C | GLN115 |
| C | ASP116 |
| C | ARG154 |
| C | GLY196 |
| C | GLY197 |
| C | ARG404 |
| C | THR450 |
| C | THR451 |
| C | ARG454 |
| C | LYS474 |
| C | SF4601 |
| C | HOH718 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue 1PE C 605 |
| Chain | Residue |
| C | GLU87 |
| C | GLU284 |
| C | LYS288 |
| C | GLN291 |
| C | LYS302 |
| C | HOH764 |
| site_id | AE5 |
| Number of Residues | 7 |
| Details | binding site for residue 1PE C 606 |
| Chain | Residue |
| C | SER78 |
| C | LYS81 |
| C | TYR303 |
| C | HIS306 |
| C | ASP307 |
| C | ARG309 |
| C | HOH764 |
| site_id | AE6 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 D 601 |
| Chain | Residue |
| D | CYS114 |
| D | GLN115 |
| D | ALA232 |
| D | CYS233 |
| D | CYS328 |
| D | ALA330 |
| D | LYS474 |
| D | JYD602 |
| site_id | AE7 |
| Number of Residues | 10 |
| Details | binding site for residue JYD D 602 |
| Chain | Residue |
| D | GLN115 |
| D | ASP116 |
| D | ARG154 |
| D | GLY197 |
| D | ARG404 |
| D | THR450 |
| D | THR451 |
| D | ARG454 |
| D | LYS474 |
| D | SF4601 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE D 603 |
| Chain | Residue |
| B | LYS487 |
| B | TYR488 |
| D | LYS33 |
| D | ASP341 |
Functional Information from PROSITE/UniProt
| site_id | PS00163 |
| Number of Residues | 10 |
| Details | FUMARATE_LYASES Fumarate lyases signature. GSmvMlAKgN |
| Chain | Residue | Details |
| A | GLY467-ASN476 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:30645090, ECO:0007744|PDB:6MSO |
| Chain | Residue | Details |
| A | CYS114 | |
| D | CYS114 | |
| D | CYS233 | |
| D | CYS328 | |
| A | CYS233 | |
| A | CYS328 | |
| B | CYS114 | |
| B | CYS233 | |
| B | CYS328 | |
| C | CYS114 | |
| C | CYS233 | |
| C | CYS328 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:E9AE57 |
| Chain | Residue | Details |
| A | GLN115 | |
| B | GLY197 | |
| B | ASN200 | |
| B | ARG404 | |
| B | THR450 | |
| B | LYS474 | |
| C | GLN115 | |
| C | ARG154 | |
| C | GLY197 | |
| C | ASN200 | |
| C | ARG404 | |
| A | ARG154 | |
| C | THR450 | |
| C | LYS474 | |
| D | GLN115 | |
| D | ARG154 | |
| D | GLY197 | |
| D | ASN200 | |
| D | ARG404 | |
| D | THR450 | |
| D | LYS474 | |
| A | GLY197 | |
| A | ASN200 | |
| A | ARG404 | |
| A | THR450 | |
| A | LYS474 | |
| B | GLN115 | |
| B | ARG154 |
