1IB6
CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006096 | biological_process | glycolytic process |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006108 | biological_process | malate metabolic process |
| A | 0006113 | biological_process | fermentation |
| A | 0009061 | biological_process | anaerobic respiration |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016615 | molecular_function | malate dehydrogenase 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 | 0019898 | cellular_component | extrinsic component of membrane |
| A | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006096 | biological_process | glycolytic process |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006108 | biological_process | malate metabolic process |
| B | 0006113 | biological_process | fermentation |
| B | 0009061 | biological_process | anaerobic respiration |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016615 | molecular_function | malate dehydrogenase 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 | 0019898 | cellular_component | extrinsic component of membrane |
| B | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006096 | biological_process | glycolytic process |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006108 | biological_process | malate metabolic process |
| C | 0006113 | biological_process | fermentation |
| C | 0009061 | biological_process | anaerobic respiration |
| C | 0016020 | cellular_component | membrane |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016615 | molecular_function | malate dehydrogenase 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 | 0019898 | cellular_component | extrinsic component of membrane |
| C | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
| C | 0042803 | molecular_function | protein homodimerization activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006096 | biological_process | glycolytic process |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006108 | biological_process | malate metabolic process |
| D | 0006113 | biological_process | fermentation |
| D | 0009061 | biological_process | anaerobic respiration |
| D | 0016020 | cellular_component | membrane |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016615 | molecular_function | malate dehydrogenase 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 | 0019898 | cellular_component | extrinsic component of membrane |
| D | 0030060 | molecular_function | L-malate dehydrogenase (NAD+) activity |
| D | 0042803 | molecular_function | protein homodimerization activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 316 |
| Chain | Residue |
| A | ARG81 |
| A | ARG87 |
| A | ASN119 |
| A | HIS177 |
| A | GLY210 |
| A | NAD313 |
| A | HOH344 |
| A | HOH353 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 317 |
| Chain | Residue |
| A | ASP86 |
| A | ARG87 |
| A | SER88 |
| A | SER178 |
| A | GLY179 |
| A | ARG81 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 318 |
| Chain | Residue |
| C | ARG81 |
| C | ARG87 |
| C | ASN119 |
| C | HIS177 |
| C | GLY210 |
| C | NAD314 |
| C | HOH473 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 319 |
| Chain | Residue |
| C | ARG81 |
| C | ASP86 |
| C | ARG87 |
| C | SER88 |
| C | SER178 |
| C | GLY179 |
| C | HOH467 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 D 320 |
| Chain | Residue |
| D | ARG81 |
| D | ARG87 |
| D | ASN119 |
| D | HIS177 |
| D | GLY210 |
| D | NAD315 |
| D | HOH531 |
| D | HOH532 |
| D | HOH533 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 321 |
| Chain | Residue |
| D | ASP86 |
| D | ARG87 |
| D | SER88 |
| D | SER178 |
| D | GLY179 |
| site_id | AC7 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD A 313 |
| Chain | Residue |
| A | GLY7 |
| A | ALA9 |
| A | GLY10 |
| A | GLY11 |
| A | ILE12 |
| A | TYR33 |
| A | ASP34 |
| A | ILE35 |
| A | SER76 |
| A | ALA77 |
| A | GLY78 |
| A | VAL79 |
| A | ALA80 |
| A | LEU90 |
| A | ASN94 |
| A | ILE97 |
| A | ILE117 |
| A | THR118 |
| A | ASN119 |
| A | VAL146 |
| A | LEU149 |
| A | HIS177 |
| A | ALA223 |
| A | MET227 |
| A | SO4316 |
| A | HOH343 |
| A | HOH345 |
| A | HOH348 |
| A | HOH349 |
| A | HOH396 |
| A | HOH397 |
| site_id | AC8 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAD C 314 |
| Chain | Residue |
| C | HOH479 |
| C | HOH480 |
| C | ALA9 |
| C | GLY10 |
| C | GLY11 |
| C | ILE12 |
| C | TYR33 |
| C | ASP34 |
| C | ILE35 |
| C | SER76 |
| C | ALA77 |
| C | GLY78 |
| C | VAL79 |
| C | ALA80 |
| C | ASN94 |
| C | ILE97 |
| C | ILE117 |
| C | ASN119 |
| C | VAL121 |
| C | VAL146 |
| C | HIS177 |
| C | ALA223 |
| C | THR224 |
| C | MET227 |
| C | SO4318 |
| C | HOH473 |
| C | HOH474 |
| C | HOH475 |
| site_id | AC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD D 315 |
| Chain | Residue |
| D | GLY7 |
| D | ALA9 |
| D | GLY10 |
| D | GLY11 |
| D | ILE12 |
| D | TYR33 |
| D | ASP34 |
| D | SER76 |
| D | ALA77 |
| D | GLY78 |
| D | VAL79 |
| D | LEU90 |
| D | ASN94 |
| D | ILE97 |
| D | ILE117 |
| D | ASN119 |
| D | VAL121 |
| D | VAL146 |
| D | HIS177 |
| D | ALA223 |
| D | THR224 |
| D | MET227 |
| D | SO4320 |
| D | HOH529 |
| D | HOH530 |
| D | HOH531 |
| D | HOH549 |
| D | HOH563 |
| D | HOH564 |
| D | HOH577 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_01516, ECO:0000305|PubMed:11389141 |
| Chain | Residue | Details |
| A | HIS177 | |
| B | HIS177 | |
| C | HIS177 | |
| D | HIS177 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01516, ECO:0000269|PubMed:11389141, ECO:0000269|PubMed:8331658 |
| Chain | Residue | Details |
| A | GLY7 | |
| B | MET227 | |
| C | GLY7 | |
| C | ASP34 | |
| C | ASN94 | |
| C | ILE117 | |
| C | MET227 | |
| D | GLY7 | |
| D | ASP34 | |
| D | ASN94 | |
| D | ILE117 | |
| A | ASP34 | |
| D | MET227 | |
| A | ASN94 | |
| A | ILE117 | |
| A | MET227 | |
| B | GLY7 | |
| B | ASP34 | |
| B | ASN94 | |
| B | ILE117 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01516, ECO:0000305|PubMed:1507230, ECO:0000305|PubMed:8331658 |
| Chain | Residue | Details |
| A | ARG81 | |
| C | ARG87 | |
| C | ASN119 | |
| C | CYS153 | |
| D | ARG81 | |
| D | ARG87 | |
| D | ASN119 | |
| D | CYS153 | |
| A | ARG87 | |
| A | ASN119 | |
| A | CYS153 | |
| B | ARG81 | |
| B | ARG87 | |
| B | ASN119 | |
| B | CYS153 | |
| C | ARG81 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| A | HIS177 | |
| A | ASP150 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| B | HIS177 | |
| B | ASP150 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| C | HIS177 | |
| C | ASP150 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| D | HIS177 | |
| D | ASP150 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| A | HIS177 | |
| A | ASP150 | |
| A | CYS153 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| B | HIS177 | |
| B | ASP150 | |
| B | CYS153 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| C | HIS177 | |
| C | ASP150 | |
| C | CYS153 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1emd |
| Chain | Residue | Details |
| D | HIS177 | |
| D | ASP150 | |
| D | CYS153 |
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 527 |
| Chain | Residue | Details |
| A | ASP150 | modifies pKa |
| A | HIS177 | proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 527 |
| Chain | Residue | Details |
| B | ASP150 | modifies pKa |
| B | HIS177 | proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 2 |
| Details | M-CSA 527 |
| Chain | Residue | Details |
| C | ASP150 | modifies pKa |
| C | HIS177 | proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 2 |
| Details | M-CSA 527 |
| Chain | Residue | Details |
| D | ASP150 | modifies pKa |
| D | HIS177 | proton acceptor, proton donor |
