3KGF
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0009423 | biological_process | chorismate biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0030145 | molecular_function | manganese ion binding |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051260 | biological_process | protein homooligomerization |
| B | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0009423 | biological_process | chorismate biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0030145 | molecular_function | manganese ion binding |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051260 | biological_process | protein homooligomerization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PHE A 9003 |
| Chain | Residue |
| A | PHE91 |
| A | MET92 |
| A | ARG171 |
| A | ALA174 |
| A | ASN175 |
| A | HOH2666 |
| B | VAL5 |
| B | HOH4224 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE TRP A 9004 |
| Chain | Residue |
| A | LYS123 |
| A | ALA192 |
| A | CYS231 |
| A | ASN237 |
| A | LEU238 |
| A | THR240 |
| A | HOH540 |
| A | HOH2683 |
| A | HOH2831 |
| A | HOH4195 |
| A | VAL111 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 2647 |
| Chain | Residue |
| A | THR24 |
| A | ASP27 |
| A | ALA28 |
| A | GOL470 |
| A | HOH2888 |
| B | ARG25 |
| B | VAL298 |
| B | HOH2747 |
| B | HOH4222 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 466 |
| Chain | Residue |
| A | LEU30 |
| A | ALA34 |
| A | ASP253 |
| A | ARG256 |
| A | HOH522 |
| A | HOH2964 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 A 463 |
| Chain | Residue |
| A | GLY282 |
| A | GLU283 |
| A | LYS306 |
| A | ARG337 |
| A | HIS369 |
| A | HOH520 |
| A | HOH521 |
| A | HOH2698 |
| A | HOH2959 |
| A | HOH3031 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PO4 A 464 |
| Chain | Residue |
| A | THR39 |
| A | ARG135 |
| A | ASP138 |
| A | ARG145 |
| A | ARG148 |
| A | HIS164 |
| A | GOL475 |
| A | HOH567 |
| A | HOH569 |
| A | HOH629 |
| A | HOH2792 |
| A | HOH4245 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN A 465 |
| Chain | Residue |
| A | CYS87 |
| A | HIS369 |
| A | GLU411 |
| A | ASP441 |
| A | HOH586 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 467 |
| Chain | Residue |
| A | GLN36 |
| A | ARG135 |
| A | GOL475 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 468 |
| Chain | Residue |
| A | GLN44 |
| A | MET48 |
| A | ASP165 |
| A | HOH552 |
| A | HOH556 |
| B | MET1 |
| B | ASN2 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 469 |
| Chain | Residue |
| A | MET180 |
| A | THR187 |
| A | ALA241 |
| A | GLU242 |
| A | ILE243 |
| A | HIS277 |
| A | HOH503 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 470 |
| Chain | Residue |
| A | ARG23 |
| A | THR24 |
| A | ASP27 |
| A | GOL2647 |
| B | GLN297 |
| B | ARG322 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 471 |
| Chain | Residue |
| A | HOH499 |
| B | ARG25 |
| B | HOH590 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 472 |
| Chain | Residue |
| A | SER188 |
| A | GLY190 |
| A | GLN239 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 473 |
| Chain | Residue |
| A | LEU46 |
| A | ALA47 |
| A | THR50 |
| A | HOH587 |
| A | HOH4229 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 474 |
| Chain | Residue |
| A | HOH2688 |
| A | ARG135 |
| A | SER136 |
| A | ALA137 |
| A | ARG284 |
| site_id | BC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 475 |
| Chain | Residue |
| A | GLN36 |
| A | ARG135 |
| A | SER136 |
| A | ALA137 |
| A | ASP138 |
| A | ARG148 |
| A | PO4464 |
| A | CL467 |
| A | HOH624 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PHE B 9001 |
| Chain | Residue |
| A | TYR173 |
| A | HOH538 |
| A | HOH2884 |
| B | PHE91 |
| B | ARG171 |
| B | ASN175 |
| B | HOH2735 |
| site_id | BC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE TRP B 9004 |
| Chain | Residue |
| B | LEU107 |
| B | VAL111 |
| B | LYS123 |
| B | ALA192 |
| B | LEU194 |
| B | CYS231 |
| B | ASN237 |
| B | LEU238 |
| B | THR240 |
| B | ALA241 |
| B | HOH474 |
| B | HOH475 |
| B | HOH495 |
| B | HOH2670 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 B 463 |
| Chain | Residue |
| B | GLY282 |
| B | GLU283 |
| B | LYS306 |
| B | ARG337 |
| B | HOH546 |
| B | HOH2720 |
| B | HOH2935 |
| B | HOH2992 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 464 |
| Chain | Residue |
| B | ARG135 |
| B | SER136 |
| B | ALA137 |
| B | ARG284 |
| site_id | CC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 465 |
| Chain | Residue |
| B | PRO17 |
| B | LEU18 |
| B | ARG23 |
| B | LEU144 |
| B | ASP158 |
| B | ALA159 |
| B | HOH605 |
| B | HOH2677 |
| B | HOH2894 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN B 466 |
| Chain | Residue |
| B | CYS87 |
| B | HIS369 |
| B | GLU411 |
| B | ASP441 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 2647 |
| Chain | Residue |
| B | GLN70 |
| B | VAL121 |
| B | GLU242 |
| B | HOH473 |
| B | HOH474 |
| B | HOH495 |
| B | HOH2710 |
| B | HOH4244 |
| site_id | CC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 467 |
| Chain | Residue |
| B | GLU63 |
| B | ARG66 |
| B | MET180 |
| B | THR187 |
| B | GLU242 |
| B | ILE243 |
| B | HIS277 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PHE B 4188 |
| Chain | Residue |
| B | LEU18 |
| B | ARG23 |
| B | LEU26 |
| B | GLU53 |
| B | ARG256 |
| B | LEU259 |
| B | HOH2878 |
| B | HOH4288 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 468 |
| Chain | Residue |
| B | LEU30 |
| B | ASP253 |
| B | ARG256 |
| B | HOH553 |
| B | HOH2934 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 469 |
| Chain | Residue |
| B | THR90 |
| B | MET92 |
| B | ASP93 |
| B | PHE155 |
| B | GLU437 |
| B | HOH493 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 470 |
| Chain | Residue |
| B | ASP43 |
| B | LEU46 |
| B | ALA47 |
| B | THR50 |
| site_id | DC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 471 |
| Chain | Residue |
| A | SER62 |
| A | ASP263 |
| B | ARG100 |
| B | SER189 |
| B | GLY190 |
| B | LEU191 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 472 |
| Chain | Residue |
| A | ARG145 |
| A | HOH4245 |
| B | PRO33 |
| B | ALA34 |
| B | ALA35 |
| B | HOH2665 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16288916, ECO:0007744|PDB:2B7O |
| Chain | Residue | Details |
| A | CYS87 | |
| B | ARG126 | |
| B | GLU283 | |
| B | LYS306 | |
| B | ARG337 | |
| B | HIS369 | |
| B | GLU411 | |
| B | ASP441 | |
| A | ARG126 | |
| A | GLU283 | |
| A | LYS306 | |
| A | ARG337 | |
| A | HIS369 | |
| A | GLU411 | |
| A | ASP441 | |
| B | CYS87 |
