7NRZ
Crystal structure of malate dehydrogenase from Trypanosoma cruzi
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0006099 | biological_process | tricarboxylic acid cycle |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
A | 0019752 | biological_process | carboxylic acid metabolic process |
A | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
B | 0003824 | molecular_function | catalytic activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0006099 | biological_process | tricarboxylic acid cycle |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
B | 0019752 | biological_process | carboxylic acid metabolic process |
B | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0005737 | cellular_component | cytoplasm |
C | 0006099 | biological_process | tricarboxylic acid cycle |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
C | 0019752 | biological_process | carboxylic acid metabolic process |
C | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
D | 0003824 | molecular_function | catalytic activity |
D | 0005737 | cellular_component | cytoplasm |
D | 0006099 | biological_process | tricarboxylic acid cycle |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
D | 0019752 | biological_process | carboxylic acid metabolic process |
D | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
E | 0003824 | molecular_function | catalytic activity |
E | 0005737 | cellular_component | cytoplasm |
E | 0006099 | biological_process | tricarboxylic acid cycle |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
E | 0019752 | biological_process | carboxylic acid metabolic process |
E | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
F | 0003824 | molecular_function | catalytic activity |
F | 0005737 | cellular_component | cytoplasm |
F | 0006099 | biological_process | tricarboxylic acid cycle |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
F | 0019752 | biological_process | carboxylic acid metabolic process |
F | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
G | 0003824 | molecular_function | catalytic activity |
G | 0005737 | cellular_component | cytoplasm |
G | 0006099 | biological_process | tricarboxylic acid cycle |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
G | 0019752 | biological_process | carboxylic acid metabolic process |
G | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
H | 0003824 | molecular_function | catalytic activity |
H | 0005737 | cellular_component | cytoplasm |
H | 0006099 | biological_process | tricarboxylic acid cycle |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
H | 0019752 | biological_process | carboxylic acid metabolic process |
H | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 7 |
Details | binding site for residue EDO A 401 |
Chain | Residue |
A | VAL126 |
A | VAL155 |
A | SER156 |
A | LEU157 |
A | LEU158 |
A | HIS185 |
A | MET235 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue EDO A 402 |
Chain | Residue |
A | THR164 |
A | TYR178 |
A | VAL179 |
B | HOH1915 |
A | LEU157 |
A | GLY160 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue EDO A 403 |
Chain | Residue |
A | VAL37 |
A | GLY38 |
A | ALA60 |
A | HOH513 |
site_id | AC4 |
Number of Residues | 2 |
Details | binding site for residue EDO A 404 |
Chain | Residue |
A | ARG286 |
A | ARG287 |
site_id | AC5 |
Number of Residues | 1 |
Details | binding site for residue EDO A 405 |
Chain | Residue |
A | ASP35 |
site_id | AC6 |
Number of Residues | 9 |
Details | binding site for residue PEG A 406 |
Chain | Residue |
A | ALA52 |
A | GLY53 |
A | ILE54 |
A | THR55 |
A | EDO409 |
B | ARG165 |
B | ASN169 |
B | HIS172 |
B | VAL175 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue PGE A 407 |
Chain | Residue |
A | ARG23 |
A | ASP50 |
A | ARG51 |
A | ALA52 |
A | HOH541 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue EDO A 408 |
Chain | Residue |
A | LEU288 |
A | PRO289 |
A | PGE418 |
C | PRO198 |
C | GLY199 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue EDO A 409 |
Chain | Residue |
A | THR55 |
A | VAL56 |
A | PEG406 |
B | EDO1805 |
site_id | AD1 |
Number of Residues | 1 |
Details | binding site for residue EDO A 410 |
Chain | Residue |
A | SER116 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue EDO A 411 |
Chain | Residue |
A | ARG165 |
A | ASN169 |
A | ARG213 |
B | SER47 |
B | EDO1801 |
site_id | AD3 |
Number of Residues | 5 |
Details | binding site for residue EDO A 412 |
Chain | Residue |
A | GLU24 |
A | MET244 |
A | HIS245 |
A | LYS248 |
A | HOH506 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue EDO A 413 |
Chain | Residue |
A | MET1 |
A | ASN3 |
A | GLY78 |
A | ASP80 |
site_id | AD5 |
Number of Residues | 2 |
Details | binding site for residue EDO A 414 |
Chain | Residue |
A | LYS57 |
A | HIS58 |
site_id | AD6 |
Number of Residues | 2 |
Details | binding site for residue EDO A 415 |
Chain | Residue |
A | TYR178 |
A | MET257 |
site_id | AD7 |
Number of Residues | 1 |
Details | binding site for residue EDO A 416 |
Chain | Residue |
A | ASP109 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue EDO A 417 |
Chain | Residue |
A | PRO198 |
A | GLY199 |
C | PRO289 |
site_id | AD9 |
Number of Residues | 9 |
Details | binding site for residue PGE A 418 |
Chain | Residue |
A | TYR178 |
A | SER195 |
A | GLN196 |
A | TYR259 |
A | PRO292 |
A | EDO408 |
C | GLN196 |
C | ILE197 |
C | PRO198 |
site_id | AE1 |
Number of Residues | 8 |
Details | binding site for residue PEG A 419 |
Chain | Residue |
A | TYR178 |
A | PRO256 |
A | MET257 |
A | HOH508 |
C | VAL175 |
C | PRO177 |
C | PRO198 |
D | PG4404 |
site_id | AE2 |
Number of Residues | 2 |
Details | binding site for residue EDO B 1801 |
Chain | Residue |
A | EDO411 |
B | VAL56 |
site_id | AE3 |
Number of Residues | 7 |
Details | binding site for residue EDO B 1802 |
Chain | Residue |
B | VAL155 |
B | SER156 |
B | LEU157 |
B | LEU158 |
B | HIS185 |
B | MET235 |
B | HOH1901 |
site_id | AE4 |
Number of Residues | 5 |
Details | binding site for residue EDO B 1803 |
Chain | Residue |
A | ARG165 |
A | ASN169 |
A | HIS172 |
B | GLY53 |
B | ILE54 |
site_id | AE5 |
Number of Residues | 6 |
Details | binding site for residue EDO B 1804 |
Chain | Residue |
B | ILE290 |
B | HOH1922 |
D | PRO198 |
D | GLY199 |
B | LEU288 |
B | PRO289 |
site_id | AE6 |
Number of Residues | 5 |
Details | binding site for residue EDO B 1805 |
Chain | Residue |
A | SER47 |
A | EDO409 |
B | ARG165 |
B | ASN169 |
B | ARG213 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue PEG B 1806 |
Chain | Residue |
B | ASN150 |
B | GLU285 |
B | ARG286 |
B | ARG287 |
B | HOH1910 |
site_id | AE8 |
Number of Residues | 7 |
Details | binding site for residue EDO B 1807 |
Chain | Residue |
B | PRO119 |
B | ALA121 |
B | LEU141 |
B | VAL146 |
B | TYR147 |
B | ASN148 |
B | LYS151 |
site_id | AE9 |
Number of Residues | 5 |
Details | binding site for residue EDO B 1808 |
Chain | Residue |
B | GLY160 |
B | THR164 |
B | TYR178 |
B | VAL179 |
B | VAL181 |
site_id | AF1 |
Number of Residues | 3 |
Details | binding site for residue EDO B 1809 |
Chain | Residue |
A | GLN15 |
B | LYS225 |
B | HOH1916 |
site_id | AF2 |
Number of Residues | 7 |
Details | binding site for residue EDO B 1810 |
Chain | Residue |
B | VAL85 |
B | GLY87 |
B | VAL88 |
B | VAL126 |
B | ASN128 |
B | MET235 |
B | HOH1901 |
site_id | AF3 |
Number of Residues | 3 |
Details | binding site for residue EDO B 1811 |
Chain | Residue |
B | ASP50 |
B | ARG51 |
B | HOH1905 |
site_id | AF4 |
Number of Residues | 3 |
Details | binding site for residue EDO B 1812 |
Chain | Residue |
B | GLY11 |
B | ASP35 |
B | VAL37 |
site_id | AF5 |
Number of Residues | 4 |
Details | binding site for residue EDO B 1813 |
Chain | Residue |
B | MET1 |
B | ASN3 |
B | GLY78 |
B | ASP80 |
site_id | AF6 |
Number of Residues | 3 |
Details | binding site for residue PEG C 401 |
Chain | Residue |
C | TYR178 |
C | MET257 |
C | EDO408 |
site_id | AF7 |
Number of Residues | 7 |
Details | binding site for residue EDO C 402 |
Chain | Residue |
C | VAL155 |
C | SER156 |
C | LEU157 |
C | LEU158 |
C | HIS185 |
C | MET235 |
C | ALA238 |
site_id | AF8 |
Number of Residues | 6 |
Details | binding site for residue EDO C 403 |
Chain | Residue |
C | ALA52 |
C | GLY53 |
C | ILE54 |
D | ARG165 |
D | ASN169 |
D | HIS172 |
site_id | AF9 |
Number of Residues | 4 |
Details | binding site for residue EDO C 404 |
Chain | Residue |
C | TYR147 |
C | LYS149 |
G | LYS143 |
G | GLY145 |
site_id | AG1 |
Number of Residues | 1 |
Details | binding site for residue EDO C 405 |
Chain | Residue |
C | ASP109 |
site_id | AG2 |
Number of Residues | 5 |
Details | binding site for residue EDO C 406 |
Chain | Residue |
C | GLY160 |
C | THR164 |
C | TYR178 |
C | VAL179 |
C | VAL181 |
site_id | AG3 |
Number of Residues | 4 |
Details | binding site for residue EDO C 407 |
Chain | Residue |
C | GLU237 |
C | ARG241 |
C | HOH539 |
D | ARG23 |
site_id | AG4 |
Number of Residues | 3 |
Details | binding site for residue EDO C 408 |
Chain | Residue |
C | PRO177 |
C | ARG241 |
C | PEG401 |
site_id | AG5 |
Number of Residues | 5 |
Details | binding site for residue EDO C 409 |
Chain | Residue |
C | PHE27 |
C | ARG51 |
C | ALA52 |
C | EDO410 |
D | EDO410 |
site_id | AG6 |
Number of Residues | 6 |
Details | binding site for residue EDO C 410 |
Chain | Residue |
C | ILE49 |
C | ASP50 |
C | ARG51 |
C | EDO409 |
D | GLU237 |
D | ARG241 |
site_id | AG7 |
Number of Residues | 8 |
Details | binding site for residue EDO D 401 |
Chain | Residue |
C | ARG165 |
C | ASN168 |
C | ASN169 |
C | HIS172 |
C | VAL175 |
D | ALA52 |
D | GLY53 |
D | ILE54 |
site_id | AG8 |
Number of Residues | 6 |
Details | binding site for residue EDO D 402 |
Chain | Residue |
C | HOH515 |
D | GLY160 |
D | THR164 |
D | TYR178 |
D | VAL179 |
D | HOH529 |
site_id | AG9 |
Number of Residues | 3 |
Details | binding site for residue EDO D 403 |
Chain | Residue |
D | GLY11 |
D | ASP35 |
D | VAL37 |
site_id | AH1 |
Number of Residues | 9 |
Details | binding site for residue PG4 D 404 |
Chain | Residue |
A | PEG419 |
C | VAL175 |
C | VAL176 |
C | GLU237 |
C | ARG241 |
D | ARG23 |
D | ASP50 |
D | ARG51 |
D | ALA52 |
site_id | AH2 |
Number of Residues | 1 |
Details | binding site for residue EDO D 405 |
Chain | Residue |
D | ARG241 |
site_id | AH3 |
Number of Residues | 4 |
Details | binding site for residue EDO D 406 |
Chain | Residue |
B | PRO198 |
B | GLY199 |
D | LEU288 |
D | PRO289 |
site_id | AH4 |
Number of Residues | 3 |
Details | binding site for residue EDO D 407 |
Chain | Residue |
C | SER47 |
D | ASN169 |
D | ARG213 |
site_id | AH5 |
Number of Residues | 7 |
Details | binding site for residue EDO D 408 |
Chain | Residue |
D | VAL126 |
D | VAL155 |
D | LEU157 |
D | LEU158 |
D | HIS185 |
D | MET235 |
D | HOH503 |
site_id | AH6 |
Number of Residues | 2 |
Details | binding site for residue EDO D 409 |
Chain | Residue |
D | ARG142 |
H | ARG142 |
site_id | AH7 |
Number of Residues | 3 |
Details | binding site for residue EDO D 410 |
Chain | Residue |
C | EDO409 |
D | PRO177 |
D | HOH504 |
site_id | AH8 |
Number of Residues | 3 |
Details | binding site for residue EDO D 411 |
Chain | Residue |
D | ASP254 |
D | PRO256 |
D | MET257 |
site_id | AH9 |
Number of Residues | 2 |
Details | binding site for residue EDO D 412 |
Chain | Residue |
D | PRO67 |
D | ARG68 |
site_id | AI1 |
Number of Residues | 8 |
Details | binding site for residue EDO E 401 |
Chain | Residue |
A | ARG142 |
A | GLY145 |
A | VAL146 |
A | TYR147 |
E | ARG142 |
E | GLY145 |
E | VAL146 |
E | TYR147 |
site_id | AI2 |
Number of Residues | 5 |
Details | binding site for residue EDO E 402 |
Chain | Residue |
E | GLY160 |
E | THR164 |
E | TYR178 |
E | VAL179 |
E | TYR259 |
site_id | AI3 |
Number of Residues | 8 |
Details | binding site for residue PG4 E 403 |
Chain | Residue |
E | ASP50 |
E | ARG51 |
E | ALA52 |
F | ARG241 |
F | EDO801 |
H | LYS248 |
H | LEU253 |
H | ASP254 |
site_id | AI4 |
Number of Residues | 7 |
Details | binding site for residue EDO E 404 |
Chain | Residue |
E | ASN128 |
E | VAL155 |
E | SER156 |
E | LEU157 |
E | LEU158 |
E | HIS185 |
E | MET235 |
site_id | AI5 |
Number of Residues | 6 |
Details | binding site for residue EDO E 405 |
Chain | Residue |
E | PRO198 |
E | GLY199 |
G | TYR259 |
G | PRO276 |
G | LEU288 |
G | PRO289 |
site_id | AI6 |
Number of Residues | 5 |
Details | binding site for residue EDO F 801 |
Chain | Residue |
E | ASP50 |
E | ALA52 |
E | PG4403 |
F | VAL175 |
F | PRO177 |
site_id | AI7 |
Number of Residues | 6 |
Details | binding site for residue EDO F 802 |
Chain | Residue |
E | ARG165 |
E | ASN169 |
E | HIS172 |
F | ALA52 |
F | GLY53 |
F | ILE54 |
site_id | AI8 |
Number of Residues | 5 |
Details | binding site for residue EDO F 803 |
Chain | Residue |
E | VAL175 |
E | VAL176 |
F | ASP50 |
F | ALA52 |
F | PEG807 |
site_id | AI9 |
Number of Residues | 2 |
Details | binding site for residue EDO F 804 |
Chain | Residue |
F | THR295 |
F | VAL296 |
site_id | AJ1 |
Number of Residues | 7 |
Details | binding site for residue EDO F 805 |
Chain | Residue |
F | ASN128 |
F | VAL155 |
F | SER156 |
F | LEU157 |
F | LEU158 |
F | HIS185 |
F | MET235 |
site_id | AJ2 |
Number of Residues | 3 |
Details | binding site for residue EDO F 806 |
Chain | Residue |
F | ALA43 |
F | VAL56 |
F | HIS58 |
site_id | AJ3 |
Number of Residues | 4 |
Details | binding site for residue PEG F 807 |
Chain | Residue |
F | ASP50 |
F | ARG51 |
F | ALA52 |
F | EDO803 |
site_id | AJ4 |
Number of Residues | 4 |
Details | binding site for residue EDO F 808 |
Chain | Residue |
F | ARG241 |
F | MET244 |
F | HIS245 |
F | LYS248 |
site_id | AJ5 |
Number of Residues | 7 |
Details | binding site for residue EDO F 809 |
Chain | Residue |
F | TYR259 |
F | LEU288 |
F | PRO289 |
F | ILE290 |
F | EDO814 |
H | PRO198 |
H | GLY199 |
site_id | AJ6 |
Number of Residues | 5 |
Details | binding site for residue EDO F 810 |
Chain | Residue |
F | VAL37 |
F | GLY38 |
F | PRO40 |
F | HOH912 |
F | HOH916 |
site_id | AJ7 |
Number of Residues | 4 |
Details | binding site for residue EDO F 811 |
Chain | Residue |
F | ILE13 |
F | GLY87 |
F | VAL126 |
F | ASN128 |
site_id | AJ8 |
Number of Residues | 4 |
Details | binding site for residue EDO F 812 |
Chain | Residue |
B | LYS143 |
F | ARG142 |
F | LYS149 |
F | EDO813 |
site_id | AJ9 |
Number of Residues | 6 |
Details | binding site for residue EDO F 813 |
Chain | Residue |
B | LYS143 |
B | GLY145 |
F | ARG142 |
F | TYR147 |
F | LYS149 |
F | EDO812 |
site_id | AK1 |
Number of Residues | 5 |
Details | binding site for residue EDO F 814 |
Chain | Residue |
F | GLN196 |
F | EDO809 |
H | GLN196 |
H | PRO198 |
H | EDO1101 |
site_id | AK2 |
Number of Residues | 4 |
Details | binding site for residue EDO F 815 |
Chain | Residue |
F | PRO198 |
F | GLY199 |
H | PRO289 |
H | EDO1101 |
site_id | AK3 |
Number of Residues | 3 |
Details | binding site for residue EDO G 1001 |
Chain | Residue |
E | PRO289 |
G | PRO198 |
G | GLY199 |
site_id | AK4 |
Number of Residues | 5 |
Details | binding site for residue EDO G 1002 |
Chain | Residue |
G | GLY160 |
G | THR164 |
G | TYR178 |
G | VAL179 |
G | HOH1107 |
site_id | AK5 |
Number of Residues | 7 |
Details | binding site for residue EDO G 1003 |
Chain | Residue |
G | ASN128 |
G | VAL155 |
G | SER156 |
G | LEU157 |
G | LEU158 |
G | HIS185 |
G | MET235 |
site_id | AK6 |
Number of Residues | 3 |
Details | binding site for residue EDO G 1004 |
Chain | Residue |
G | GLY280 |
G | LYS281 |
G | GLU285 |
site_id | AK7 |
Number of Residues | 4 |
Details | binding site for residue EDO G 1005 |
Chain | Residue |
C | ASN120 |
G | TYR147 |
G | ASN148 |
G | EDO1006 |
site_id | AK8 |
Number of Residues | 5 |
Details | binding site for residue EDO G 1006 |
Chain | Residue |
C | SER116 |
C | ILE144 |
G | LYS149 |
G | EDO1005 |
G | HOH1104 |
site_id | AK9 |
Number of Residues | 2 |
Details | binding site for residue EDO G 1007 |
Chain | Residue |
G | ARG287 |
G | HOH1116 |
site_id | AL1 |
Number of Residues | 2 |
Details | binding site for residue EDO G 1008 |
Chain | Residue |
G | HIS245 |
G | MET257 |
site_id | AL2 |
Number of Residues | 3 |
Details | binding site for residue EDO G 1009 |
Chain | Residue |
E | VAL175 |
G | ASP254 |
G | MET257 |
site_id | AL3 |
Number of Residues | 7 |
Details | binding site for residue EDO G 1010 |
Chain | Residue |
G | ALA52 |
G | GLY53 |
G | ILE54 |
H | ARG165 |
H | ASN168 |
H | ASN169 |
H | HIS172 |
site_id | AL4 |
Number of Residues | 4 |
Details | binding site for residue CL G 1011 |
Chain | Residue |
G | ILE167 |
G | ASN168 |
G | ARG171 |
G | LEU174 |
site_id | AL5 |
Number of Residues | 5 |
Details | binding site for residue EDO H 1101 |
Chain | Residue |
F | GLN196 |
F | EDO814 |
F | EDO815 |
H | GLN196 |
H | HOH1206 |
site_id | AL6 |
Number of Residues | 4 |
Details | binding site for residue EDO H 1102 |
Chain | Residue |
H | GLY160 |
H | TYR178 |
H | VAL179 |
H | VAL181 |
site_id | AL7 |
Number of Residues | 4 |
Details | binding site for residue EDO H 1103 |
Chain | Residue |
G | ARG23 |
H | GLU24 |
H | GLU237 |
H | ARG241 |
site_id | AL8 |
Number of Residues | 3 |
Details | binding site for residue EDO H 1104 |
Chain | Residue |
H | TYR178 |
H | MET257 |
H | HOH1215 |