2XJA
Structure of MurE from M.tuberculosis with dipeptide and ADP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0008765 | molecular_function | UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0016881 | molecular_function | acid-amino acid ligase activity |
| A | 0051301 | biological_process | cell division |
| A | 0071555 | biological_process | cell wall organization |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008360 | biological_process | regulation of cell shape |
| B | 0008765 | molecular_function | UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0016881 | molecular_function | acid-amino acid ligase activity |
| B | 0051301 | biological_process | cell division |
| B | 0071555 | biological_process | cell wall organization |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0008360 | biological_process | regulation of cell shape |
| C | 0008765 | molecular_function | UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0009252 | biological_process | peptidoglycan biosynthetic process |
| C | 0016874 | molecular_function | ligase activity |
| C | 0016881 | molecular_function | acid-amino acid ligase activity |
| C | 0051301 | biological_process | cell division |
| C | 0071555 | biological_process | cell wall organization |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0008360 | biological_process | regulation of cell shape |
| D | 0008765 | molecular_function | UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0009252 | biological_process | peptidoglycan biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
| D | 0016881 | molecular_function | acid-amino acid ligase activity |
| D | 0051301 | biological_process | cell division |
| D | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE ADP A 1533 |
| Chain | Residue |
| A | THR154 |
| A | ASN347 |
| A | ARG377 |
| A | LEU378 |
| A | ASP392 |
| A | ALA394 |
| A | SER402 |
| A | MG1534 |
| A | SER155 |
| A | GLY156 |
| A | LYS157 |
| A | THR158 |
| A | THR159 |
| A | GLU220 |
| A | ASN243 |
| A | TYR343 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 1534 |
| Chain | Residue |
| A | THR158 |
| A | THR180 |
| A | GLU220 |
| A | ADP1533 |
| A | HOH2001 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 1535 |
| Chain | Residue |
| A | ASP247 |
| A | HIS248 |
| A | KCX262 |
| A | UAG1536 |
| site_id | AC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE UAG A 1536 |
| Chain | Residue |
| A | LEU67 |
| A | ARG68 |
| A | ALA69 |
| A | GLN70 |
| A | GLY83 |
| A | SER84 |
| A | THR85 |
| A | THR86 |
| A | GLY88 |
| A | HIS91 |
| A | ARG128 |
| A | LEU194 |
| A | THR195 |
| A | THR196 |
| A | GLU198 |
| A | SER222 |
| A | LEU228 |
| A | ARG230 |
| A | HIS248 |
| A | MG1535 |
| A | HOH2001 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG B 1533 |
| Chain | Residue |
| B | GLY140 |
| D | ASP215 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE ADP B 1534 |
| Chain | Residue |
| B | THR154 |
| B | SER155 |
| B | GLY156 |
| B | LYS157 |
| B | THR158 |
| B | THR159 |
| B | THR180 |
| B | GLU220 |
| B | ASN243 |
| B | TYR343 |
| B | ASN347 |
| B | ARG377 |
| B | ASP392 |
| B | ALA394 |
| B | VAL403 |
| B | MG1535 |
| B | HOH2001 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 1535 |
| Chain | Residue |
| B | THR158 |
| B | THR180 |
| B | GLU220 |
| B | ADP1534 |
| B | HOH2001 |
| site_id | AC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE UAG B 1536 |
| Chain | Residue |
| B | LEU67 |
| B | ARG68 |
| B | ALA69 |
| B | GLN70 |
| B | LEU81 |
| B | GLY83 |
| B | SER84 |
| B | THR85 |
| B | THR86 |
| B | GLY88 |
| B | HIS91 |
| B | LEU194 |
| B | THR195 |
| B | THR196 |
| B | GLU198 |
| B | SER222 |
| B | HIS224 |
| B | ARG230 |
| B | HIS248 |
| B | MG1537 |
| B | HOH2001 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 1537 |
| Chain | Residue |
| B | LYS157 |
| B | HIS248 |
| B | KCX262 |
| B | UAG1536 |
| site_id | BC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ADP C 1533 |
| Chain | Residue |
| C | THR159 |
| C | THR180 |
| C | GLU220 |
| C | ASN243 |
| C | TYR343 |
| C | ASN347 |
| C | ARG377 |
| C | LEU378 |
| C | ASP392 |
| C | ALA394 |
| C | SER402 |
| C | VAL403 |
| C | MG1534 |
| C | HOH2001 |
| C | SER155 |
| C | GLY156 |
| C | LYS157 |
| C | THR158 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 1534 |
| Chain | Residue |
| C | THR158 |
| C | THR180 |
| C | GLU220 |
| C | ADP1533 |
| C | UAG1535 |
| C | HOH2001 |
| site_id | BC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE UAG C 1535 |
| Chain | Residue |
| C | LEU67 |
| C | ARG68 |
| C | ALA69 |
| C | GLN70 |
| C | LEU81 |
| C | GLY83 |
| C | SER84 |
| C | THR85 |
| C | THR86 |
| C | GLY88 |
| C | HIS91 |
| C | THR195 |
| C | THR196 |
| C | GLU198 |
| C | SER222 |
| C | HIS224 |
| C | ARG230 |
| C | HIS248 |
| C | MG1534 |
| C | MG1536 |
| C | HOH2001 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG C 1536 |
| Chain | Residue |
| C | ASP247 |
| C | HIS248 |
| C | UAG1535 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG D 1533 |
| Chain | Residue |
| D | HIS395 |
| D | ASP448 |
| D | GLY502 |
| site_id | BC6 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ADP D 1534 |
| Chain | Residue |
| D | SER155 |
| D | GLY156 |
| D | LYS157 |
| D | THR158 |
| D | THR159 |
| D | THR180 |
| D | GLU220 |
| D | ASN243 |
| D | TYR343 |
| D | ASN344 |
| D | ASN347 |
| D | ARG377 |
| D | LEU378 |
| D | ASP392 |
| D | ALA394 |
| D | SER402 |
| D | VAL403 |
| D | MG1535 |
| D | HOH2001 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 1535 |
| Chain | Residue |
| D | THR158 |
| D | THR180 |
| D | GLU220 |
| D | ADP1534 |
| D | HOH2001 |
| site_id | BC8 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE UAG D 1536 |
| Chain | Residue |
| D | LEU67 |
| D | ARG68 |
| D | ALA69 |
| D | GLN70 |
| D | LEU81 |
| D | GLY83 |
| D | SER84 |
| D | THR85 |
| D | THR86 |
| D | GLY88 |
| D | HIS91 |
| D | LEU194 |
| D | THR195 |
| D | GLU198 |
| D | SER222 |
| D | HIS224 |
| D | ARG230 |
| D | HIS248 |
| D | MG1537 |
| D | HOH2001 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 1537 |
| Chain | Residue |
| D | LYS157 |
| D | ASP247 |
| D | HIS248 |
| D | KCX262 |
| D | UAG1536 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 9 |
| Details | Motif: {"description":"Meso-diaminopimelate recognition motif"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 61 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00208","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"HAMAP-Rule","id":"MF_00208","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
