3WDK
Crystal structure of 4-phosphopantoate-beta-alanine ligase complexed with reaction intermediate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005524 | molecular_function | ATP binding |
| A | 0015937 | biological_process | coenzyme A biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0016881 | molecular_function | acid-amino acid ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0015937 | biological_process | coenzyme A biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0016881 | molecular_function | acid-amino acid ligase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0015937 | biological_process | coenzyme A biosynthetic process |
| C | 0016874 | molecular_function | ligase activity |
| C | 0016881 | molecular_function | acid-amino acid ligase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0015937 | biological_process | coenzyme A biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
| D | 0016881 | molecular_function | acid-amino acid ligase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE PTJ A 301 |
| Chain | Residue |
| A | ALA36 |
| A | GLU162 |
| A | ASP163 |
| A | ASP181 |
| A | LEU182 |
| A | ASN183 |
| A | ASP198 |
| A | ASN199 |
| A | ILE200 |
| A | HOH403 |
| A | HOH408 |
| A | GLY40 |
| A | HOH411 |
| A | HOH419 |
| A | HOH432 |
| A | HOH440 |
| A | ASN77 |
| A | GLY78 |
| A | LEU103 |
| A | PHE104 |
| A | TYR105 |
| A | ARG110 |
| A | LEU161 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FLC A 302 |
| Chain | Residue |
| A | GLU53 |
| A | PRO54 |
| A | ARG57 |
| A | ASP237 |
| A | LEU240 |
| A | HIS241 |
| A | ASP244 |
| A | HOH449 |
| B | GLU220 |
| B | GLU221 |
| B | LYS224 |
| site_id | AC3 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE PTJ B 901 |
| Chain | Residue |
| B | ALA36 |
| B | ARG39 |
| B | GLY40 |
| B | ASN77 |
| B | GLY78 |
| B | LEU103 |
| B | PHE104 |
| B | TYR105 |
| B | ARG110 |
| B | LEU161 |
| B | GLU162 |
| B | ASP163 |
| B | ASP181 |
| B | LEU182 |
| B | ASN183 |
| B | ASP198 |
| B | ASN199 |
| B | ILE200 |
| B | HOH1003 |
| B | HOH1007 |
| B | HOH1008 |
| B | HOH1023 |
| B | HOH1033 |
| B | HOH1058 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE PTJ C 301 |
| Chain | Residue |
| C | ALA36 |
| C | ARG39 |
| C | GLY40 |
| C | ASN77 |
| C | GLY78 |
| C | LEU103 |
| C | PHE104 |
| C | TYR105 |
| C | ARG110 |
| C | LEU161 |
| C | GLU162 |
| C | ASP163 |
| C | ASP181 |
| C | LEU182 |
| C | ASN183 |
| C | ASP198 |
| C | ASN199 |
| C | ILE200 |
| C | HOH407 |
| C | HOH411 |
| C | HOH417 |
| C | HOH418 |
| C | HOH459 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE FLC C 302 |
| Chain | Residue |
| A | GLU251 |
| C | GLU220 |
| C | GLU221 |
| C | LYS224 |
| D | GLU53 |
| D | PRO54 |
| D | ASP237 |
| D | HIS241 |
| D | ASP244 |
| site_id | AC6 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE PTJ D 301 |
| Chain | Residue |
| D | TYR105 |
| D | ARG110 |
| D | LEU161 |
| D | GLU162 |
| D | ASP163 |
| D | ASP181 |
| D | LEU182 |
| D | ASN183 |
| D | ASP198 |
| D | ASN199 |
| D | ILE200 |
| D | HOH405 |
| D | HOH408 |
| D | HOH437 |
| C | HOH426 |
| D | ALA36 |
| D | ARG39 |
| D | GLY40 |
| D | ASN77 |
| D | GLY78 |
| D | ASN79 |
| D | LEU103 |
| D | PHE104 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE FLC D 302 |
| Chain | Residue |
| C | GLU53 |
| C | PRO54 |
| C | ASP237 |
| C | LEU240 |
| C | HIS241 |
| C | ASP244 |
| D | GLU220 |
| D | GLU221 |
| D | LYS224 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:B6YXQ1, ECO:0000255|HAMAP-Rule:MF_02224 |
| Chain | Residue | Details |
| A | ARG17 | |
| B | ARG17 | |
| C | ARG17 | |
| D | ARG17 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02224, ECO:0000269|PubMed:24638914, ECO:0007744|PDB:3WDL |
| Chain | Residue | Details |
| A | ARG39 | |
| C | ASP181 | |
| C | ARG187 | |
| C | ASN199 | |
| D | ARG39 | |
| D | ASP181 | |
| D | ARG187 | |
| D | ASN199 | |
| A | ASP181 | |
| A | ARG187 | |
| A | ASN199 | |
| B | ARG39 | |
| B | ASP181 | |
| B | ARG187 | |
| B | ASN199 | |
| C | ARG39 |
