2C0A
Mechanism of the Class I KDPG aldolase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0008675 | molecular_function | 2-dehydro-3-deoxy-phosphogluconate aldolase activity |
| A | 0008700 | molecular_function | 4-hydroxy-2-oxoglutarate aldolase activity |
| A | 0008948 | molecular_function | oxaloacetate decarboxylase activity |
| A | 0009255 | biological_process | Entner-Doudoroff pathway through 6-phosphogluconate |
| A | 0016020 | cellular_component | membrane |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016833 | molecular_function | oxo-acid-lyase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0106009 | molecular_function | (4S)-4-hydroxy-2-oxoglutarate aldolase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0008675 | molecular_function | 2-dehydro-3-deoxy-phosphogluconate aldolase activity |
| B | 0008700 | molecular_function | 4-hydroxy-2-oxoglutarate aldolase activity |
| B | 0008948 | molecular_function | oxaloacetate decarboxylase activity |
| B | 0009255 | biological_process | Entner-Doudoroff pathway through 6-phosphogluconate |
| B | 0016020 | cellular_component | membrane |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016833 | molecular_function | oxo-acid-lyase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0106009 | molecular_function | (4S)-4-hydroxy-2-oxoglutarate aldolase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0008675 | molecular_function | 2-dehydro-3-deoxy-phosphogluconate aldolase activity |
| C | 0008700 | molecular_function | 4-hydroxy-2-oxoglutarate aldolase activity |
| C | 0008948 | molecular_function | oxaloacetate decarboxylase activity |
| C | 0009255 | biological_process | Entner-Doudoroff pathway through 6-phosphogluconate |
| C | 0016020 | cellular_component | membrane |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016833 | molecular_function | oxo-acid-lyase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0106009 | molecular_function | (4S)-4-hydroxy-2-oxoglutarate aldolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 A 1214 |
| Chain | Residue |
| A | GLY162 |
| A | HOH2245 |
| A | GLY163 |
| A | GLY183 |
| A | SER184 |
| A | HOH2197 |
| A | HOH2241 |
| A | HOH2242 |
| A | HOH2243 |
| A | HOH2244 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1214 |
| Chain | Residue |
| B | GLY162 |
| B | GLY163 |
| B | GLY183 |
| B | SER184 |
| B | HOH2238 |
| B | HOH2239 |
| B | HOH2240 |
| B | HOH2241 |
| B | HOH2242 |
| B | HOH2243 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1215 |
| Chain | Residue |
| B | ALA0 |
| B | TRP4 |
| B | SER7 |
| B | ALA8 |
| B | GLU9 |
| B | GLU131 |
| B | HOH2244 |
| B | HOH2245 |
| B | HOH2246 |
| B | HOH2247 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 C 1214 |
| Chain | Residue |
| C | GLY162 |
| C | GLY163 |
| C | GLY183 |
| C | SER184 |
| C | HOH2197 |
| C | HOH2241 |
| C | HOH2242 |
| C | HOH2243 |
| C | HOH2244 |
| C | HOH2245 |
Functional Information from PROSITE/UniProt
| site_id | PS00160 |
| Number of Residues | 14 |
| Details | ALDOLASE_KDPG_KHG_2 KDPG and KHG aldolases Schiff-base forming residue. GlkeFKFFPAeanG |
| Chain | Residue | Details |
| A | GLY128-GLY141 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | ASN45 | |
| B | ASN45 | |
| C | ASN45 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | ACT_SITE: |
| Chain | Residue | Details |
| A | ARG49 | |
| B | ARG49 | |
| C | ARG49 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | ACT_SITE: Schiff-base intermediate with substrate |
| Chain | Residue | Details |
| A | LYS133 | |
| B | LYS133 | |
| C | LYS133 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ALA8 | |
| B | ALA8 | |
| C | ALA8 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 15 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16403639 |
| Chain | Residue | Details |
| A | ARG49 | |
| B | SER184 | |
| C | ARG49 | |
| C | THR73 | |
| C | THR161 | |
| C | GLY163 | |
| C | SER184 | |
| A | THR73 | |
| A | THR161 | |
| A | GLY163 | |
| A | SER184 | |
| B | ARG49 | |
| B | THR73 | |
| B | THR161 | |
| B | GLY163 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 3 |
| Details | BINDING: covalent => ECO:0000269|PubMed:16403639 |
| Chain | Residue | Details |
| A | LYS133 | |
| B | LYS133 | |
| C | LYS133 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 3 |
| Details | SITE: Plays a major role in determining the stereoselectivity |
| Chain | Residue | Details |
| A | THR161 | |
| B | THR161 | |
| C | THR161 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1fq0 |
| Chain | Residue | Details |
| A | LYS133 | |
| A | ASN45 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1fq0 |
| Chain | Residue | Details |
| B | LYS133 | |
| B | ASN45 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1fq0 |
| Chain | Residue | Details |
| C | LYS133 | |
| C | ASN45 |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 550 |
| Chain | Residue | Details |
| A | ASN45 | proton acceptor, proton donor |
| A | ARG49 | electrostatic stabiliser, modifies pKa |
| A | LYS133 | electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 550 |
| Chain | Residue | Details |
| B | ASN45 | proton acceptor, proton donor |
| B | ARG49 | electrostatic stabiliser, modifies pKa |
| B | LYS133 | electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 550 |
| Chain | Residue | Details |
| C | ASN45 | proton acceptor, proton donor |
| C | ARG49 | electrostatic stabiliser, modifies pKa |
| C | LYS133 | electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
