4CL3
1.70 A resolution structure of the malate dehydrogenase from Chloroflexus aurantiacus
Replaces: 4BGTFunctional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004459 | molecular_function | L-lactate dehydrogenase activity |
| A | 0006089 | biological_process | lactate metabolic process |
| A | 0006090 | biological_process | pyruvate metabolic process |
| 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 |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004459 | molecular_function | L-lactate dehydrogenase activity |
| D | 0006089 | biological_process | lactate metabolic process |
| D | 0006090 | biological_process | pyruvate metabolic process |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CD A 1310 |
| Chain | Residue |
| A | GLU165 |
| A | HOH2284 |
| A | HOH2285 |
| A | HOH2288 |
| A | HOH2289 |
| A | HOH2466 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CD A 1311 |
| Chain | Residue |
| A | HOH2467 |
| A | ASP33 |
| A | ACT1317 |
| A | HOH2057 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CD A 1312 |
| Chain | Residue |
| A | ASP90 |
| A | ASP90 |
| A | HOH2166 |
| A | HOH2166 |
| A | HOH2170 |
| A | HOH2468 |
| A | HOH2468 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CD A 1313 |
| Chain | Residue |
| A | GLU159 |
| A | ARG201 |
| A | HOH2272 |
| A | HOH2274 |
| D | GLU159 |
| D | HOH2289 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CD A 1314 |
| Chain | Residue |
| A | GLU281 |
| A | HOH2469 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 1315 |
| Chain | Residue |
| A | ARG208 |
| A | HOH2034 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 1316 |
| Chain | Residue |
| A | PRO121 |
| A | ASP123 |
| A | ALA124 |
| A | GLU178 |
| A | THR302 |
| A | HOH2232 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 1317 |
| Chain | Residue |
| A | ILE8 |
| A | GLY9 |
| A | ASP33 |
| A | ILE34 |
| A | TYR65 |
| A | SER78 |
| A | CD1311 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PEG A 1318 |
| Chain | Residue |
| D | PHE12 |
| D | LEU220 |
| D | THR222 |
| D | GLY223 |
| D | SER224 |
| D | TYR226 |
| D | PEG1319 |
| D | HOH2472 |
| D | HOH2473 |
| D | HOH2474 |
| D | HOH2475 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 1319 |
| Chain | Residue |
| A | ARG100 |
| A | GLU131 |
| A | VAL132 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG A 1320 |
| Chain | Residue |
| A | GLY214 |
| A | VAL217 |
| A | ASN218 |
| A | HOH2360 |
| A | HOH2362 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CD D 1310 |
| Chain | Residue |
| A | HOH2382 |
| A | HOH2383 |
| D | GLU165 |
| D | HOH2096 |
| D | HOH2297 |
| D | HOH2447 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CD D 1311 |
| Chain | Residue |
| D | ASP33 |
| D | ACT1318 |
| D | PEG1319 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CD D 1312 |
| Chain | Residue |
| D | GLU89 |
| D | GLU89 |
| D | ASP90 |
| D | ASP90 |
| D | HOH2183 |
| D | HOH2183 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CD D 1313 |
| Chain | Residue |
| D | ASP200 |
| D | ASP243 |
| D | GLU277 |
| D | HOH2338 |
| site_id | BC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CD D 1314 |
| Chain | Residue |
| D | GLU36 |
| site_id | BC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CD D 1315 |
| Chain | Residue |
| D | ASP177 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT D 1316 |
| Chain | Residue |
| A | HOH2272 |
| A | HOH2279 |
| D | GLU159 |
| D | ILE197 |
| D | ALA198 |
| D | ARG201 |
| D | HOH2339 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT D 1317 |
| Chain | Residue |
| D | LYS24 |
| D | GLU53 |
| D | ALA234 |
| D | GLN235 |
| D | HOH2033 |
| D | HOH2092 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT D 1318 |
| Chain | Residue |
| D | HOH2449 |
| D | ILE8 |
| D | GLY9 |
| D | ASP33 |
| D | ILE34 |
| D | SER78 |
| D | CD1311 |
| site_id | CC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PEG D 1319 |
| Chain | Residue |
| A | PEG1318 |
| D | ALA10 |
| D | GLY11 |
| D | ASP33 |
| D | VAL38 |
| D | LYS42 |
| D | CD1311 |
| D | HOH2075 |
| D | HOH2448 |
| D | HOH2450 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_00487 |
| Chain | Residue | Details |
| A | HIS175 | |
| D | HIS175 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00487 |
| Chain | Residue | Details |
| A | GLY9 | |
| D | ASP33 | |
| D | ARG82 | |
| D | ARG88 | |
| D | ASN95 | |
| D | VAL118 | |
| D | ASN120 | |
| D | ARG151 | |
| A | ASP33 | |
| A | ARG82 | |
| A | ARG88 | |
| A | ASN95 | |
| A | VAL118 | |
| A | ASN120 | |
| A | ARG151 | |
| D | GLY9 |
