6USA
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-bound form
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000162 | biological_process | tryptophan biosynthetic process |
| A | 0004834 | molecular_function | tryptophan synthase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006568 | biological_process | tryptophan metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| B | 0000162 | biological_process | tryptophan biosynthetic process |
| B | 0004834 | molecular_function | tryptophan synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006568 | biological_process | tryptophan metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| C | 0000162 | biological_process | tryptophan biosynthetic process |
| C | 0004834 | molecular_function | tryptophan synthase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006568 | biological_process | tryptophan metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| D | 0000162 | biological_process | tryptophan biosynthetic process |
| D | 0004834 | molecular_function | tryptophan synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006568 | biological_process | tryptophan metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| E | 0000162 | biological_process | tryptophan biosynthetic process |
| E | 0004834 | molecular_function | tryptophan synthase activity |
| E | 0005829 | cellular_component | cytosol |
| E | 0005886 | cellular_component | plasma membrane |
| E | 0006568 | biological_process | tryptophan metabolic process |
| E | 0016829 | molecular_function | lyase activity |
| F | 0000162 | biological_process | tryptophan biosynthetic process |
| F | 0004834 | molecular_function | tryptophan synthase activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0006568 | biological_process | tryptophan metabolic process |
| F | 0016829 | molecular_function | lyase activity |
| G | 0000162 | biological_process | tryptophan biosynthetic process |
| G | 0004834 | molecular_function | tryptophan synthase activity |
| G | 0005829 | cellular_component | cytosol |
| G | 0005886 | cellular_component | plasma membrane |
| G | 0006568 | biological_process | tryptophan metabolic process |
| G | 0016829 | molecular_function | lyase activity |
| H | 0000162 | biological_process | tryptophan biosynthetic process |
| H | 0004834 | molecular_function | tryptophan synthase activity |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0006568 | biological_process | tryptophan metabolic process |
| H | 0016829 | molecular_function | lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue FMT A 301 |
| Chain | Residue |
| A | GLY69 |
| A | PRO70 |
| A | THR71 |
| A | SER240 |
| A | HOH420 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue FMT A 302 |
| Chain | Residue |
| A | GLU57 |
| A | TYR181 |
| A | ILE237 |
| A | MLI303 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue MLI A 303 |
| Chain | Residue |
| A | TYR181 |
| A | GLY217 |
| A | LEU218 |
| A | GLY219 |
| A | GLY239 |
| A | SER240 |
| A | FMT302 |
| A | HOH411 |
| A | HOH416 |
| A | HOH437 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | binding site for residue PZJ B 501 |
| Chain | Residue |
| A | ASP64 |
| A | GLY66 |
| A | MET67 |
| A | TYR108 |
| A | ASP136 |
| B | TYR29 |
| B | VAL30 |
| B | PRO31 |
| B | LEU34 |
| B | PHE188 |
| B | TYR200 |
| B | PHE202 |
| B | PRO208 |
| B | HIS294 |
| B | GLY295 |
| B | HOH617 |
| site_id | AC5 |
| Number of Residues | 21 |
| Details | binding site for residue P1T B 502 |
| Chain | Residue |
| B | HIS100 |
| B | LYS101 |
| B | THR124 |
| B | GLY125 |
| B | ALA126 |
| B | GLY127 |
| B | GLN128 |
| B | HIS129 |
| B | THR204 |
| B | CYS244 |
| B | GLY246 |
| B | GLY247 |
| B | GLY248 |
| B | SER249 |
| B | ASN250 |
| B | GLY317 |
| B | GLU364 |
| B | SER390 |
| B | HOH623 |
| B | HOH639 |
| B | HOH711 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue FMT B 503 |
| Chain | Residue |
| B | GLY351 |
| B | ARG355 |
| D | LEU165 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue FMT B 504 |
| Chain | Residue |
| B | LYS47 |
| B | GLU48 |
| B | ARG114 |
| B | HOH740 |
| B | HOH758 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue FMT B 505 |
| Chain | Residue |
| B | ARG164 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue FMT B 506 |
| Chain | Residue |
| B | HIS96 |
| B | THR97 |
| B | ARG392 |
| D | ASP93 |
| D | LEU94 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue FMT B 507 |
| Chain | Residue |
| B | LEU165 |
| B | HOH640 |
| D | GLY351 |
| D | ARG355 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue K B 508 |
| Chain | Residue |
| B | GLY246 |
| B | ALA282 |
| B | THR284 |
| B | TYR320 |
| B | GLY322 |
| B | HOH699 |
| B | HOH715 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 509 |
| Chain | Residue |
| B | VAL171 |
| B | ALA172 |
| B | GLN174 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 510 |
| Chain | Residue |
| B | ALA333 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue PEG C 301 |
| Chain | Residue |
| C | TYR62 |
| C | SER63 |
| C | ALA73 |
| C | THR76 |
| C | GLU77 |
| C | LEU80 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue FMT C 302 |
| Chain | Residue |
| C | ARG122 |
| C | ALA126 |
| C | HIS152 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue MLI C 303 |
| Chain | Residue |
| C | GLY239 |
| C | SER240 |
| C | TYR181 |
| C | GLY217 |
| C | LEU218 |
| C | GLY219 |
| C | ILE237 |
| site_id | AD8 |
| Number of Residues | 17 |
| Details | binding site for residue PZJ D 501 |
| Chain | Residue |
| C | ASP64 |
| C | GLY66 |
| C | MET67 |
| C | TYR108 |
| C | ASP136 |
| D | VAL30 |
| D | PRO31 |
| D | LEU34 |
| D | PHE188 |
| D | TRP191 |
| D | TYR200 |
| D | PHE202 |
| D | GLY207 |
| D | PRO208 |
| D | HIS294 |
| D | GLY295 |
| D | HOH685 |
| site_id | AD9 |
| Number of Residues | 20 |
| Details | binding site for residue P1T D 502 |
| Chain | Residue |
| D | HIS100 |
| D | LYS101 |
| D | THR124 |
| D | GLY125 |
| D | ALA126 |
| D | GLY127 |
| D | GLN128 |
| D | HIS129 |
| D | THR204 |
| D | CYS244 |
| D | GLY246 |
| D | GLY247 |
| D | GLY248 |
| D | SER249 |
| D | ASN250 |
| D | GLY317 |
| D | LEU318 |
| D | GLU364 |
| D | SER390 |
| D | HOH672 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue ACT D 505 |
| Chain | Residue |
| D | PRO262 |
| D | VAL264 |
| D | ARG265 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue FMT D 506 |
| Chain | Residue |
| D | ARG164 |
| D | GLU169 |
| D | VAL170 |
| H | HIS81 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue FMT D 507 |
| Chain | Residue |
| D | GLN174 |
| D | GLU186 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue FMT D 508 |
| Chain | Residue |
| D | HIS11 |
| D | ARG220 |
| D | HIS256 |
| D | ASP260 |
| D | HOH649 |
| site_id | AE5 |
| Number of Residues | 1 |
| Details | binding site for residue ACT D 509 |
| Chain | Residue |
| D | GLU378 |
| site_id | AE6 |
| Number of Residues | 7 |
| Details | binding site for residue K D 510 |
| Chain | Residue |
| D | HOH654 |
| D | HOH674 |
| D | HOH778 |
| F | GLN233 |
| F | HOH623 |
| F | HOH628 |
| F | HOH744 |
| site_id | AE7 |
| Number of Residues | 7 |
| Details | binding site for residue K D 511 |
| Chain | Residue |
| D | GLY246 |
| D | ALA282 |
| D | THR284 |
| D | TYR320 |
| D | GLY322 |
| D | HOH633 |
| D | HOH733 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue K D 512 |
| Chain | Residue |
| D | GLN231 |
| D | HOH808 |
| site_id | AE9 |
| Number of Residues | 9 |
| Details | binding site for residue MLI D 513 |
| Chain | Residue |
| D | ARG236 |
| D | HOH638 |
| D | HOH758 |
| D | HOH769 |
| F | SER79 |
| F | GLN80 |
| F | SER84 |
| F | ARG381 |
| F | HOH625 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 514 |
| Chain | Residue |
| D | LYS47 |
| D | GLU48 |
| D | ARG114 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue EDO D 515 |
| Chain | Residue |
| D | TRP403 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue FMT E 301 |
| Chain | Residue |
| E | PRO36 |
| E | LEU246 |
| E | THR247 |
| site_id | AF4 |
| Number of Residues | 1 |
| Details | binding site for residue FMT E 302 |
| Chain | Residue |
| E | ALA183 |
| site_id | AF5 |
| Number of Residues | 7 |
| Details | binding site for residue MLI E 303 |
| Chain | Residue |
| E | TYR181 |
| E | GLY217 |
| E | LEU218 |
| E | GLY219 |
| E | GLY239 |
| E | SER240 |
| E | HOH432 |
| site_id | AF6 |
| Number of Residues | 18 |
| Details | binding site for residue PZJ F 501 |
| Chain | Residue |
| E | ASP64 |
| E | GLY66 |
| E | MET67 |
| E | TYR108 |
| E | ASP136 |
| F | VAL30 |
| F | PRO31 |
| F | LEU34 |
| F | ILE184 |
| F | PHE188 |
| F | TRP191 |
| F | TYR200 |
| F | PHE202 |
| F | PRO208 |
| F | PHE211 |
| F | HIS294 |
| F | GLY295 |
| F | HOH665 |
| site_id | AF7 |
| Number of Residues | 19 |
| Details | binding site for residue P1T F 502 |
| Chain | Residue |
| F | HIS100 |
| F | LYS101 |
| F | THR124 |
| F | GLY125 |
| F | ALA126 |
| F | GLY127 |
| F | GLN128 |
| F | HIS129 |
| F | THR204 |
| F | CYS244 |
| F | GLY246 |
| F | GLY247 |
| F | GLY248 |
| F | SER249 |
| F | ASN250 |
| F | GLY317 |
| F | GLU364 |
| F | SER390 |
| F | HOH663 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue FMT F 503 |
| Chain | Residue |
| F | GLY351 |
| F | ARG355 |
| H | LEU165 |
| site_id | AF9 |
| Number of Residues | 1 |
| Details | binding site for residue FMT F 504 |
| Chain | Residue |
| F | SER23 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue FMT F 505 |
| Chain | Residue |
| F | PRO262 |
| F | ARG265 |
| F | HOH610 |
| site_id | AG2 |
| Number of Residues | 1 |
| Details | binding site for residue ACT F 506 |
| Chain | Residue |
| F | GLU378 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue FMT F 507 |
| Chain | Residue |
| F | LYS47 |
| F | GLU48 |
| F | ARG114 |
| F | HOH732 |
| site_id | AG4 |
| Number of Residues | 5 |
| Details | binding site for residue FMT F 508 |
| Chain | Residue |
| F | LEU237 |
| F | PRO238 |
| F | GLY263 |
| F | VAL264 |
| F | HOH701 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue FMT F 509 |
| Chain | Residue |
| B | SER84 |
| B | ARG381 |
| F | ARG189 |
| F | HOH698 |
| site_id | AG6 |
| Number of Residues | 7 |
| Details | binding site for residue K F 510 |
| Chain | Residue |
| F | GLY246 |
| F | ALA282 |
| F | THR284 |
| F | TYR320 |
| F | GLY322 |
| F | HOH712 |
| F | HOH717 |
| site_id | AG7 |
| Number of Residues | 4 |
| Details | binding site for residue K F 511 |
| Chain | Residue |
| F | THR179 |
| F | SER311 |
| F | ASP319 |
| F | HOH757 |
| site_id | AG8 |
| Number of Residues | 4 |
| Details | binding site for residue K F 512 |
| Chain | Residue |
| B | HOH818 |
| F | ASP59 |
| F | HOH755 |
| F | HOH772 |
| site_id | AG9 |
| Number of Residues | 4 |
| Details | binding site for residue K F 513 |
| Chain | Residue |
| F | THR175 |
| F | ASN185 |
| F | GLU186 |
| F | ARG189 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue MLI F 514 |
| Chain | Residue |
| D | SER79 |
| D | SER84 |
| D | ARG381 |
| D | HOH676 |
| F | ARG236 |
| site_id | AH2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO F 515 |
| Chain | Residue |
| F | ARG155 |
| F | THR399 |
| F | HOH720 |
| site_id | AH3 |
| Number of Residues | 2 |
| Details | binding site for residue EDO F 516 |
| Chain | Residue |
| F | GLY21 |
| F | PRO22 |
| site_id | AH4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO F 517 |
| Chain | Residue |
| F | ASP57 |
| F | ARG60 |
| F | HOH749 |
| H | HOH605 |
| site_id | AH5 |
| Number of Residues | 9 |
| Details | binding site for residue EDO F 518 |
| Chain | Residue |
| F | ARG155 |
| F | GLN156 |
| F | ILE314 |
| F | SER315 |
| F | ALA316 |
| F | GLU364 |
| F | LYS395 |
| F | ASP396 |
| F | HOH603 |
| site_id | AH6 |
| Number of Residues | 2 |
| Details | binding site for residue FMT G 301 |
| Chain | Residue |
| G | TYR115 |
| G | HOH755 |
| site_id | AH7 |
| Number of Residues | 5 |
| Details | binding site for residue K G 302 |
| Chain | Residue |
| G | TYR30 |
| G | ASP68 |
| G | THR76 |
| G | HOH712 |
| G | HOH793 |
| site_id | AH8 |
| Number of Residues | 7 |
| Details | binding site for residue MLI G 303 |
| Chain | Residue |
| G | TYR181 |
| G | GLY217 |
| G | LEU218 |
| G | GLY219 |
| G | GLY239 |
| G | SER240 |
| G | HOH705 |
| site_id | AH9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO G 304 |
| Chain | Residue |
| G | MET67 |
| G | MET106 |
| G | ALA183 |
| site_id | AI1 |
| Number of Residues | 17 |
| Details | binding site for residue PZJ H 501 |
| Chain | Residue |
| G | ASP64 |
| G | GLY66 |
| G | MET67 |
| G | TYR108 |
| G | ASP136 |
| H | TYR29 |
| H | VAL30 |
| H | PRO31 |
| H | LEU34 |
| H | PHE188 |
| H | TYR200 |
| H | PHE202 |
| H | PRO208 |
| H | HIS294 |
| H | GLY295 |
| H | HOH633 |
| H | HOH697 |
| site_id | AI2 |
| Number of Residues | 20 |
| Details | binding site for residue P1T H 502 |
| Chain | Residue |
| H | HIS100 |
| H | LYS101 |
| H | THR124 |
| H | GLY125 |
| H | ALA126 |
| H | GLY127 |
| H | GLN128 |
| H | HIS129 |
| H | THR204 |
| H | CYS244 |
| H | GLY246 |
| H | GLY247 |
| H | GLY248 |
| H | SER249 |
| H | ASN250 |
| H | GLY317 |
| H | GLU364 |
| H | SER390 |
| H | HOH682 |
| H | HOH765 |
| site_id | AI3 |
| Number of Residues | 3 |
| Details | binding site for residue FMT H 503 |
| Chain | Residue |
| H | ALA172 |
| H | VAL173 |
| H | GLN174 |
| site_id | AI4 |
| Number of Residues | 3 |
| Details | binding site for residue FMT H 504 |
| Chain | Residue |
| H | ASP303 |
| H | THR308 |
| H | HOH760 |
| site_id | AI5 |
| Number of Residues | 3 |
| Details | binding site for residue FMT H 505 |
| Chain | Residue |
| H | GLN229 |
| H | GLN233 |
| H | HOH686 |
| site_id | AI6 |
| Number of Residues | 4 |
| Details | binding site for residue FMT H 506 |
| Chain | Residue |
| H | HIS312 |
| H | SER313 |
| H | ASP319 |
| H | HOH799 |
| site_id | AI7 |
| Number of Residues | 3 |
| Details | binding site for residue FMT H 507 |
| Chain | Residue |
| H | LYS47 |
| H | GLU48 |
| H | HOH727 |
| site_id | AI8 |
| Number of Residues | 3 |
| Details | binding site for residue FMT H 508 |
| Chain | Residue |
| H | ARG164 |
| H | GLU169 |
| H | VAL170 |
| site_id | AI9 |
| Number of Residues | 5 |
| Details | binding site for residue K H 509 |
| Chain | Residue |
| H | PRO238 |
| H | GLY263 |
| H | HOH707 |
| H | HOH751 |
| H | HOH830 |
| site_id | AJ1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 H 510 |
| Chain | Residue |
| G | GLN144 |
| H | SER23 |
| H | TYR29 |
| H | PHE297 |
| site_id | AJ2 |
| Number of Residues | 6 |
| Details | binding site for residue NA H 511 |
| Chain | Residue |
| H | GLY246 |
| H | ALA282 |
| H | THR284 |
| H | TYR320 |
| H | GLY322 |
| H | HOH775 |
| site_id | AJ3 |
| Number of Residues | 6 |
| Details | binding site for residue NA H 512 |
| Chain | Residue |
| B | GLN52 |
| B | HOH746 |
| B | HOH764 |
| H | ALA63 |
| H | GLY67 |
| H | ARG68 |
Functional Information from PROSITE/UniProt
| site_id | PS00167 |
| Number of Residues | 14 |
| Details | TRP_SYNTHASE_ALPHA Tryptophan synthase alpha chain signature. IEVGvPYSDPGMDG |
| Chain | Residue | Details |
| A | ILE56-GLY69 |
| site_id | PS00168 |
| Number of Residues | 15 |
| Details | TRP_SYNTHASE_BETA Tryptophan synthase beta chain pyridoxal-phosphate attachment site. LnHtGSHKiNnvLgQ |
| Chain | Residue | Details |
| B | LEU94-GLN108 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-(pyridoxal phosphate)lysine => ECO:0000255|HAMAP-Rule:MF_00133 |
| Chain | Residue | Details |
| B | HIS100 | |
| D | HIS100 | |
| F | HIS100 | |
| H | HIS100 | |
| E | GLU57 | |
| E | ASP68 | |
| G | GLU57 | |
| G | ASP68 |
