3L21
The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0005886 | cellular_component | plasma membrane |
A | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
A | 0009085 | biological_process | lysine biosynthetic process |
A | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
A | 0016829 | molecular_function | lyase activity |
A | 0019877 | biological_process | diaminopimelate biosynthetic process |
A | 0044281 | biological_process | small molecule metabolic process |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0005886 | cellular_component | plasma membrane |
B | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
B | 0009085 | biological_process | lysine biosynthetic process |
B | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
B | 0016829 | molecular_function | lyase activity |
B | 0019877 | biological_process | diaminopimelate biosynthetic process |
B | 0044281 | biological_process | small molecule metabolic process |
C | 0005737 | cellular_component | cytoplasm |
C | 0005829 | cellular_component | cytosol |
C | 0005886 | cellular_component | plasma membrane |
C | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
C | 0009085 | biological_process | lysine biosynthetic process |
C | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
C | 0016829 | molecular_function | lyase activity |
C | 0019877 | biological_process | diaminopimelate biosynthetic process |
C | 0044281 | biological_process | small molecule metabolic process |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0005886 | cellular_component | plasma membrane |
D | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
D | 0009085 | biological_process | lysine biosynthetic process |
D | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
D | 0016829 | molecular_function | lyase activity |
D | 0019877 | biological_process | diaminopimelate biosynthetic process |
D | 0044281 | biological_process | small molecule metabolic process |
E | 0005737 | cellular_component | cytoplasm |
E | 0005829 | cellular_component | cytosol |
E | 0005886 | cellular_component | plasma membrane |
E | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
E | 0009085 | biological_process | lysine biosynthetic process |
E | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
E | 0016829 | molecular_function | lyase activity |
E | 0019877 | biological_process | diaminopimelate biosynthetic process |
E | 0044281 | biological_process | small molecule metabolic process |
F | 0005737 | cellular_component | cytoplasm |
F | 0005829 | cellular_component | cytosol |
F | 0005886 | cellular_component | plasma membrane |
F | 0008840 | molecular_function | 4-hydroxy-tetrahydrodipicolinate synthase activity |
F | 0009085 | biological_process | lysine biosynthetic process |
F | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
F | 0016829 | molecular_function | lyase activity |
F | 0019877 | biological_process | diaminopimelate biosynthetic process |
F | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 A 302 |
Chain | Residue |
A | TYR90 |
A | HOH331 |
A | HOH696 |
B | THR89 |
B | TYR90 |
B | HIS94 |
B | HOH382 |
B | HOH1881 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 303 |
Chain | Residue |
A | ARG238 |
A | HOH405 |
A | HOH700 |
A | HOH722 |
A | HOH1008 |
A | ARG204 |
site_id | AC3 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 A 304 |
Chain | Residue |
A | SER24 |
A | GLY25 |
site_id | AC4 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL A 305 |
Chain | Residue |
A | ASP176 |
A | LEU177 |
A | HIS178 |
A | SER179 |
A | HOH861 |
A | HOH1898 |
B | ARG265 |
B | ILE286 |
B | HOH494 |
site_id | AC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 306 |
Chain | Residue |
A | LEU74 |
A | GLY78 |
A | ASP79 |
A | HIS108 |
A | HOH380 |
A | HOH689 |
D | ASP233 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE ACT A 307 |
Chain | Residue |
A | ALA10 |
A | ARG82 |
D | SER231 |
site_id | AC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE ACT A 308 |
Chain | Residue |
A | ARG300 |
C | GLY147 |
site_id | AC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE ACT A 309 |
Chain | Residue |
A | ASP287 |
A | ALA290 |
A | ARG294 |
A | HOH788 |
A | HOH1604 |
C | HOH311 |
D | ALA173 |
D | LYS174 |
site_id | AC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 310 |
Chain | Residue |
A | PRO146 |
A | PRO152 |
A | LYS174 |
A | HOH959 |
B | ASP270 |
B | HOH810 |
B | HOH1678 |
site_id | BC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL A 311 |
Chain | Residue |
A | SER52 |
A | GLY53 |
A | THR54 |
A | SER58 |
A | ALA87 |
A | GLY88 |
A | LEU111 |
A | VAL112 |
A | VAL113 |
B | TYR117 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE BME A 312 |
Chain | Residue |
A | ARG36 |
A | HIS40 |
A | HOH1863 |
C | ALA175 |
C | ASP176 |
C | HOH1862 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 301 |
Chain | Residue |
A | LEU254 |
A | GLY255 |
B | LYS119 |
B | PRO121 |
B | ACT307 |
B | HOH549 |
site_id | BC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 B 302 |
Chain | Residue |
A | LYS119 |
B | ARG148 |
B | MET251 |
B | GLY255 |
B | GLY256 |
B | ACT308 |
B | HOH383 |
site_id | BC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 303 |
Chain | Residue |
B | ARG82 |
B | HIS108 |
site_id | BC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL B 304 |
Chain | Residue |
B | THR62 |
B | ASP63 |
B | GLY64 |
B | ALA175 |
B | ASP176 |
B | LEU177 |
B | HIS178 |
B | SER179 |
B | HOH1773 |
B | HOH1881 |
site_id | BC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 305 |
Chain | Residue |
B | ARG97 |
B | HIS178 |
B | ARG204 |
B | MET205 |
B | GOL309 |
B | HOH394 |
site_id | BC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL B 306 |
Chain | Residue |
B | SER28 |
B | LEU29 |
B | GLU65 |
B | GLU68 |
B | PRO146 |
B | LYS174 |
B | ALA175 |
B | HOH339 |
B | HOH642 |
B | HOH1236 |
B | HOH1806 |
site_id | BC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ACT B 307 |
Chain | Residue |
B | PRO121 |
B | GLN122 |
B | SO4301 |
B | HOH886 |
site_id | CC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE ACT B 308 |
Chain | Residue |
B | TYR143 |
B | ILE145 |
B | ARG148 |
B | KPI171 |
B | SO4302 |
B | HOH330 |
B | HOH770 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 309 |
Chain | Residue |
B | ASP63 |
B | HIS178 |
B | ARG204 |
B | GOL305 |
B | HOH373 |
B | HOH392 |
site_id | CC3 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE ACT B 310 |
Chain | Residue |
B | ARG11 |
site_id | CC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE ACT B 311 |
Chain | Residue |
B | PHE6 |
B | PRO139 |
B | PRO165 |
B | ASN166 |
B | HOH1245 |
site_id | CC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE GOL B 312 |
Chain | Residue |
B | ALA104 |
B | GLU105 |
B | LEU200 |
B | ARG204 |
B | ILE234 |
B | ARG238 |
B | ASN241 |
B | HOH376 |
B | HOH391 |
B | HOH392 |
B | HOH393 |
B | HOH830 |
site_id | CC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PYR B 313 |
Chain | Residue |
B | ALA207 |
B | THR208 |
B | LEU226 |
B | PHE229 |
B | HOH1651 |
site_id | CC7 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL B 314 |
Chain | Residue |
A | TYR117 |
B | SER52 |
B | GLY53 |
B | THR54 |
B | SER58 |
B | GLY86 |
B | ALA87 |
B | GLY88 |
B | LEU111 |
B | VAL112 |
B | VAL113 |
site_id | CC8 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE SO4 C 301 |
Chain | Residue |
C | THR54 |
C | ARG148 |
C | GLY255 |
C | GLY256 |
C | VAL257 |
C | GOL304 |
C | HOH317 |
C | HOH329 |
C | HOH435 |
C | HOH496 |
C | HOH1877 |
D | SER118 |
D | LYS119 |
site_id | CC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 302 |
Chain | Residue |
C | LEU200 |
C | PRO201 |
C | ARG204 |
C | ARG238 |
site_id | DC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 C 303 |
Chain | Residue |
C | ARG82 |
C | HIS108 |
C | HOH674 |
site_id | DC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL C 304 |
Chain | Residue |
C | ARG253 |
C | GLY255 |
C | SO4301 |
C | HOH1829 |
D | LYS119 |
D | PRO121 |
D | HOH753 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL C 305 |
Chain | Residue |
C | LYS119 |
C | HOH311 |
C | HOH1820 |
D | GLY147 |
D | HOH325 |
site_id | DC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE GOL C 306 |
Chain | Residue |
A | ARG80 |
C | HIS178 |
site_id | DC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL C 307 |
Chain | Residue |
C | ARG253 |
C | GLN285 |
C | HOH382 |
site_id | DC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ACT C 308 |
Chain | Residue |
C | PRO121 |
C | GLN122 |
C | ARG123 |
C | HOH1891 |
site_id | DC7 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL C 309 |
Chain | Residue |
C | SER52 |
C | GLY53 |
C | THR54 |
C | SER58 |
C | GLY88 |
C | LEU111 |
C | VAL112 |
C | VAL113 |
D | TYR117 |
site_id | DC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 D 301 |
Chain | Residue |
C | THR89 |
C | HIS94 |
C | TYR116 |
C | HOH713 |
D | TYR90 |
D | HOH313 |
D | HOH1887 |
site_id | DC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 D 302 |
Chain | Residue |
D | ARG82 |
D | HOH911 |
D | HOH1227 |
site_id | EC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL D 303 |
Chain | Residue |
D | THR62 |
D | ASP63 |
D | GLY64 |
site_id | EC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL D 304 |
Chain | Residue |
D | PRO121 |
D | GLN122 |
D | ARG123 |
site_id | EC3 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE GOL D 305 |
Chain | Residue |
D | ALA243 |
site_id | EC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL D 306 |
Chain | Residue |
C | TYR117 |
D | SER52 |
D | GLY53 |
D | THR54 |
D | SER58 |
D | GLY88 |
D | LEU111 |
D | VAL112 |
D | VAL113 |
D | HOH347 |
site_id | EC5 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE CL D 308 |
Chain | Residue |
D | ARG253 |
site_id | EC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 E 301 |
Chain | Residue |
E | ARG204 |
E | ILE234 |
E | ARG238 |
E | HOH834 |
E | HOH1443 |
site_id | EC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 E 302 |
Chain | Residue |
A | ARG238 |
E | ARG253 |
E | HOH335 |
E | HOH775 |
E | HOH1671 |
site_id | EC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 E 303 |
Chain | Residue |
E | ARG82 |
E | HIS108 |
E | HOH617 |
site_id | EC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL E 304 |
Chain | Residue |
E | ASP195 |
E | ALA197 |
E | CME248 |
E | MET251 |
E | SER252 |
E | HOH1315 |
site_id | FC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE ACT E 305 |
Chain | Residue |
A | ARG204 |
E | ARG238 |
E | ILE242 |
site_id | FC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE ACT E 306 |
Chain | Residue |
E | TYR90 |
F | THR89 |
F | HIS94 |
F | TYR116 |
F | ACT303 |
F | HOH579 |
site_id | FC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL E 307 |
Chain | Residue |
E | ASP176 |
E | LEU177 |
E | HIS178 |
E | SER179 |
site_id | FC4 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL E 308 |
Chain | Residue |
E | SER52 |
E | GLY53 |
E | THR54 |
E | SER58 |
E | GLY86 |
E | ALA87 |
E | GLY88 |
E | LEU111 |
E | VAL112 |
E | VAL113 |
F | TYR117 |
site_id | FC5 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE CL E 309 |
Chain | Residue |
E | ARG238 |
site_id | FC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 F 301 |
Chain | Residue |
F | ASP176 |
F | LEU177 |
F | HIS178 |
F | SER179 |
F | HOH801 |
F | HOH1050 |
F | HOH1243 |
site_id | FC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 F 302 |
Chain | Residue |
F | ARG82 |
F | HIS108 |
F | HOH1764 |
site_id | FC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ACT F 303 |
Chain | Residue |
E | THR89 |
E | TYR90 |
E | ACT306 |
F | TYR90 |
site_id | FC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL F 304 |
Chain | Residue |
F | PRO121 |
F | GLN122 |
F | ARG123 |
F | HOH1843 |
F | HOH1882 |
F | HOH1885 |
site_id | GC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL F 305 |
Chain | Residue |
E | LEU254 |
F | LYS119 |
F | PRO121 |
F | GOL306 |
F | HOH396 |
F | HOH1021 |
F | HOH1119 |
F | HOH1384 |
F | HOH1696 |
F | HOH1885 |
site_id | GC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL F 306 |
Chain | Residue |
F | LYS119 |
F | PRO120 |
F | PRO121 |
F | GLN122 |
F | VAL151 |
F | GOL305 |
F | HOH1843 |
site_id | GC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL F 307 |
Chain | Residue |
E | TYR117 |
F | SER52 |
F | GLY53 |
F | THR54 |
F | SER58 |
F | GLY88 |
F | LEU111 |
F | VAL112 |
F | VAL113 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_00418 |
Chain | Residue | Details |
A | TYR143 | |
B | TYR143 | |
C | TYR143 | |
D | TYR143 | |
E | TYR143 | |
F | TYR143 |
site_id | SWS_FT_FI2 |
Number of Residues | 6 |
Details | ACT_SITE: Schiff-base intermediate with substrate => ECO:0000255|HAMAP-Rule:MF_00418, ECO:0000269|PubMed:21672512 |
Chain | Residue | Details |
A | KPI171 | |
B | KPI171 | |
C | KPI171 | |
D | KPI171 | |
E | KPI171 | |
F | KPI171 |
site_id | SWS_FT_FI3 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00418 |
Chain | Residue | Details |
A | THR55 | |
E | ILE211 | |
F | THR55 | |
F | ILE211 | |
A | ILE211 | |
B | THR55 | |
B | ILE211 | |
C | THR55 | |
C | ILE211 | |
D | THR55 | |
D | ILE211 | |
E | THR55 |
site_id | SWS_FT_FI4 |
Number of Residues | 12 |
Details | SITE: Part of a proton relay during catalysis => ECO:0000255|HAMAP-Rule:MF_00418 |
Chain | Residue | Details |
A | THR54 | |
E | TYR117 | |
F | THR54 | |
F | TYR117 | |
A | TYR117 | |
B | THR54 | |
B | TYR117 | |
C | THR54 | |
C | TYR117 | |
D | THR54 | |
D | TYR117 | |
E | THR54 |