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 |