Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0008716 | molecular_function | D-alanine-D-alanine ligase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0071555 | biological_process | cell wall organization |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0008360 | biological_process | regulation of cell shape |
| B | 0008716 | molecular_function | D-alanine-D-alanine ligase activity |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE ATP A 310 |
| Chain | Residue |
| A | LYS97 |
| A | LYS181 |
| A | TRP182 |
| A | LEU183 |
| A | GLU187 |
| A | PHE209 |
| A | TYR210 |
| A | LYS215 |
| A | ARG255 |
| A | ASP257 |
| A | MET259 |
| A | ILE142 |
| A | LEU269 |
| A | GLU270 |
| A | ASN272 |
| A | DAL311 |
| A | DAL312 |
| A | MG1313 |
| A | MG1314 |
| A | HOH2194 |
| A | HOH2197 |
| A | HOH2263 |
| A | LYS144 |
| A | HOH2272 |
| A | GLU148 |
| A | GLY149 |
| A | SER150 |
| A | SER151 |
| A | MET154 |
| A | GLU180 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 1313 |
| Chain | Residue |
| A | GLU270 |
| A | ASN272 |
| A | ATP310 |
| A | MG1314 |
| A | HOH2194 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 1314 |
| Chain | Residue |
| A | ASP257 |
| A | GLU270 |
| A | ATP310 |
| A | MG1313 |
| A | HOH2272 |
| site_id | AC4 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE ATP B 310 |
| Chain | Residue |
| B | LYS97 |
| B | ILE142 |
| B | LYS144 |
| B | GLU148 |
| B | GLY149 |
| B | SER150 |
| B | SER151 |
| B | MET154 |
| B | GLU180 |
| B | LYS181 |
| B | TRP182 |
| B | LEU183 |
| B | GLU187 |
| B | PHE209 |
| B | TYR210 |
| B | LYS215 |
| B | ARG255 |
| B | ASP257 |
| B | MET259 |
| B | LEU269 |
| B | GLU270 |
| B | ASN272 |
| B | DAL311 |
| B | DAL312 |
| B | MG1307 |
| B | MG1308 |
| B | HOH2165 |
| B | HOH2166 |
| B | HOH2225 |
| B | HOH2236 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 1307 |
| Chain | Residue |
| B | GLU270 |
| B | ASN272 |
| B | ATP310 |
| B | MG1308 |
| B | HOH2165 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 1308 |
| Chain | Residue |
| B | ASP257 |
| B | GLU270 |
| B | ATP310 |
| B | MG1307 |
| B | HOH2236 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1310 |
| Chain | Residue |
| B | HOH2181 |
| B | HOH2182 |
| B | HOH2186 |
| B | HOH2187 |
| B | HOH2307 |
| B | HOH2308 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1315 |
| Chain | Residue |
| A | HIS280 |
| A | HOH2273 |
| A | HOH2278 |
| A | HOH2322 |
| A | HOH2323 |
| A | HOH2343 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1309 |
| Chain | Residue |
| B | HIS280 |
| B | HOH2238 |
| B | HOH2240 |
| B | HOH2241 |
| B | HOH2286 |
| B | HOH2306 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 1316 |
| Chain | Residue |
| A | TYR212 |
| A | ARG288 |
| A | HOH2274 |
| A | HOH2327 |
| A | HOH2344 |
| A | ASN21 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1317 |
| Chain | Residue |
| A | LEU20 |
| A | PRO39 |
| A | ASP41 |
| A | ASP165 |
| A | ARG168 |
| A | HOH2046 |
| A | HOH2213 |
| A | HOH2218 |
| site_id | BC3 |
| Number of Residues | 11 |
| Details | Binding site for Di-peptide DAL A 311 and DAL A 312 |
| Chain | Residue |
| A | GLU15 |
| A | HIS63 |
| A | SER150 |
| A | TYR216 |
| A | ARG255 |
| A | GLY276 |
| A | SER281 |
| A | LEU282 |
| A | ATP310 |
| A | HOH2095 |
| A | HOH2308 |
| site_id | BC4 |
| Number of Residues | 12 |
| Details | Binding site for Di-peptide DAL B 311 and DAL B 312 |
| Chain | Residue |
| B | GLU15 |
| B | HIS63 |
| B | SER150 |
| B | TYR216 |
| B | ARG255 |
| B | GLY276 |
| B | SER281 |
| B | LEU282 |
| B | ATP310 |
| B | HOH2018 |
| B | HOH2081 |
| B | HOH2274 |
Functional Information from PROSITE/UniProt
| site_id | PS00843 |
| Number of Residues | 12 |
| Details | DALA_DALA_LIGASE_1 D-alanine--D-alanine ligase signature 1. HGrgGEDGtLQG |
| Chain | Residue | Details |
| A | HIS63-GLY74 | |
| site_id | PS00844 |
| Number of Residues | 29 |
| Details | DALA_DALA_LIGASE_2 D-alanine--D-alanine ligase signature 2. LgckGwGRIDVMldsdgqfy....LlEANTsPG |
| Chain | Residue | Details |
| A | LEU248-GLY276 | |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 404 |
| Details | Domain: {"description":"ATP-grasp"} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Active site: {} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 116 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 8 |
| Details | M-CSA 883 |
| Chain | Residue | Details |
| A | GLU15 | electrostatic stabiliser, steric locator |
| A | SER150 | electrostatic stabiliser |
| A | TYR216 | activator |
| A | ARG255 | electrostatic stabiliser, steric locator |
| A | ASP257 | metal ligand |
| A | GLU270 | metal ligand |
| A | ASN272 | metal ligand |
| A | GLY276 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 8 |
| Details | M-CSA 883 |
| Chain | Residue | Details |
| B | GLU15 | electrostatic stabiliser, steric locator |
| B | SER150 | electrostatic stabiliser |
| B | TYR216 | activator |
| B | ARG255 | electrostatic stabiliser, steric locator |
| B | ASP257 | metal ligand |
| B | GLU270 | metal ligand |
| B | ASN272 | metal ligand |
| B | GLY276 | electrostatic stabiliser |
