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 |