4B5U
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate and succinic semialdehyde
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0009056 | biological_process | catabolic process |
| A | 0010124 | biological_process | phenylacetate catabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016832 | molecular_function | aldehyde-lyase activity |
| A | 0018802 | molecular_function | 2,4-dihydroxyhept-2-ene-1,7-dioate aldolase activity |
| A | 0043863 | molecular_function | 4-hydroxy-2-ketopimelate aldolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0009056 | biological_process | catabolic process |
| B | 0010124 | biological_process | phenylacetate catabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016832 | molecular_function | aldehyde-lyase activity |
| B | 0018802 | molecular_function | 2,4-dihydroxyhept-2-ene-1,7-dioate aldolase activity |
| B | 0043863 | molecular_function | 4-hydroxy-2-ketopimelate aldolase activity |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CO A 1000 |
| Chain | Residue |
| A | GLN147 |
| A | GLU149 |
| A | ASP175 |
| A | HOH2125 |
| A | HOH2131 |
| A | PYR4000 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 1001 |
| Chain | Residue |
| A | HOH2131 |
| A | PYR4000 |
| A | GLU149 |
| A | ASP175 |
| A | HOH2125 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 1252 |
| Chain | Residue |
| A | SER24 |
| A | SER25 |
| A | TYR26 |
| A | HOH2081 |
| A | HOH2083 |
| A | HOH2422 |
| B | LEU22 |
| B | SER23 |
| B | GLN51 |
| B | LEU54 |
| B | GOL1252 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PYR A 4000 |
| Chain | Residue |
| A | ARG70 |
| A | GLN147 |
| A | GLU149 |
| A | PHE170 |
| A | GLY172 |
| A | PRO173 |
| A | ALA174 |
| A | ASP175 |
| A | CO1000 |
| A | MG1001 |
| A | HOH2131 |
| A | HOH2171 |
| A | HOH2376 |
| A | SSN4002 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SSN A 4002 |
| Chain | Residue |
| A | ARG70 |
| A | GLY119 |
| A | SER120 |
| A | ALA121 |
| A | HOH2131 |
| A | HOH2171 |
| A | HOH2424 |
| A | HOH2425 |
| A | HOH2426 |
| A | HOH2427 |
| A | HOH2430 |
| A | PYR4000 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CO B 1000 |
| Chain | Residue |
| A | HOH2436 |
| B | GLU149 |
| B | ASP175 |
| B | HOH2097 |
| B | PYR4000 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1001 |
| Chain | Residue |
| A | HOH2436 |
| B | GLN147 |
| B | GLU149 |
| B | ASP175 |
| B | HOH2097 |
| B | PYR4000 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 1252 |
| Chain | Residue |
| A | LEU22 |
| A | SER23 |
| A | LEU54 |
| A | GOL1252 |
| A | HOH2133 |
| A | HOH2139 |
| A | HOH2154 |
| B | SER24 |
| B | TYR26 |
| B | HOH2365 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PYR B 4000 |
| Chain | Residue |
| A | HOH2436 |
| B | ARG70 |
| B | GLN147 |
| B | GLU149 |
| B | PHE170 |
| B | GLY172 |
| B | PRO173 |
| B | ALA174 |
| B | ASP175 |
| B | CO1000 |
| B | MG1001 |
| B | HOH2143 |
| B | HOH2320 |
| B | SSN4002 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SSN B 4002 |
| Chain | Residue |
| A | HOH2431 |
| A | HOH2432 |
| A | HOH2433 |
| A | HOH2436 |
| A | HOH2437 |
| B | ARG70 |
| B | GLY119 |
| B | SER120 |
| B | ALA121 |
| B | HOH2143 |
| B | PYR4000 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_01292 |
| Chain | Residue | Details |
| A | HIS45 | |
| B | HIS45 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01292 |
| Chain | Residue | Details |
| A | GLN147 | |
| A | GLU149 | |
| A | ALA174 | |
| A | ASP175 | |
| B | GLN147 | |
| B | GLU149 | |
| B | ALA174 | |
| B | ASP175 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000255|HAMAP-Rule:MF_01292 |
| Chain | Residue | Details |
| A | ARG70 | |
| B | ARG70 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Increases basicity of active site His => ECO:0000255|HAMAP-Rule:MF_01292 |
| Chain | Residue | Details |
| A | ASP84 | |
| B | ASP84 |
