3INN
Crystal structure of pantoate-beta-alanine-ligase in complex with ATP at low occupancy at 2.1 A resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004592 | molecular_function | pantoate-beta-alanine ligase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0015940 | biological_process | pantothenate biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004592 | molecular_function | pantoate-beta-alanine ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0015940 | biological_process | pantothenate biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004592 | molecular_function | pantoate-beta-alanine ligase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0015940 | biological_process | pantothenate biosynthetic process |
| C | 0016874 | molecular_function | ligase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004592 | molecular_function | pantoate-beta-alanine ligase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0015940 | biological_process | pantothenate biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ATP A 300 |
| Chain | Residue |
| A | PRO28 |
| A | LYS149 |
| A | ASP150 |
| A | GLN153 |
| A | THR175 |
| A | VAL176 |
| A | CYS184 |
| A | HOH439 |
| A | HOH472 |
| A | HOH691 |
| A | MET30 |
| A | HIS34 |
| A | HIS37 |
| A | LEU40 |
| A | GLN61 |
| A | VAL131 |
| A | PHE146 |
| A | GLY147 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ATP C 300 |
| Chain | Residue |
| C | PRO28 |
| C | THR29 |
| C | MET30 |
| C | HIS34 |
| C | HIS37 |
| C | LEU40 |
| C | GLN61 |
| C | VAL132 |
| C | PHE146 |
| C | GLY147 |
| C | ASP150 |
| C | GLN153 |
| C | THR175 |
| C | VAL176 |
| C | CYS184 |
| C | HOH317 |
| C | HOH393 |
| C | HOH528 |
| C | HOH732 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE ATP D 300 |
| Chain | Residue |
| D | PRO28 |
| D | THR29 |
| D | MET30 |
| D | GLY31 |
| D | HIS34 |
| D | HIS37 |
| D | LEU40 |
| D | GLN61 |
| D | PHE146 |
| D | GLY147 |
| D | ASP150 |
| D | GLN153 |
| D | THR175 |
| D | VAL176 |
| D | CYS184 |
| D | HOH483 |
| D | HOH733 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00158 |
| Chain | Residue | Details |
| A | HIS37 | |
| B | HIS37 | |
| C | HIS37 | |
| D | HIS37 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00158 |
| Chain | Residue | Details |
| A | MET30 | |
| B | GLN153 | |
| B | VAL176 | |
| B | CYS184 | |
| C | MET30 | |
| C | GLN61 | |
| C | GLY147 | |
| C | GLN153 | |
| C | VAL176 | |
| C | CYS184 | |
| D | MET30 | |
| A | GLN61 | |
| D | GLN61 | |
| D | GLY147 | |
| D | GLN153 | |
| D | VAL176 | |
| D | CYS184 | |
| A | GLY147 | |
| A | GLN153 | |
| A | VAL176 | |
| A | CYS184 | |
| B | MET30 | |
| B | GLN61 | |
| B | GLY147 |
