3SLH
1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0003866 | molecular_function | 3-phosphoshikimate 1-carboxyvinyltransferase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0009423 | biological_process | chorismate biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0003866 | molecular_function | 3-phosphoshikimate 1-carboxyvinyltransferase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0009423 | biological_process | chorismate biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0003866 | molecular_function | 3-phosphoshikimate 1-carboxyvinyltransferase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0009423 | biological_process | chorismate biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0003866 | molecular_function | 3-phosphoshikimate 1-carboxyvinyltransferase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0009423 | biological_process | chorismate biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BME A 439 |
| Chain | Residue |
| A | ARG253 |
| A | CYS255 |
| A | ASP292 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BME A 440 |
| Chain | Residue |
| A | GLU14 |
| A | CYS16 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PO4 A 441 |
| Chain | Residue |
| A | GLU338 |
| A | LYS342 |
| A | SKM445 |
| A | HOH493 |
| A | HOH511 |
| A | HOH544 |
| A | HOH575 |
| A | HOH1219 |
| A | ARG127 |
| A | SER167 |
| A | ALA168 |
| A | GLN169 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 442 |
| Chain | Residue |
| A | ASP117 |
| A | SER118 |
| A | HIS281 |
| A | HOH607 |
| A | HOH912 |
| A | HOH1490 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE S3P A 443 |
| Chain | Residue |
| A | LYS21 |
| A | SER22 |
| A | ARG26 |
| A | THR96 |
| A | SER167 |
| A | ALA168 |
| A | GLN169 |
| A | ARG194 |
| A | ASP315 |
| A | LYS342 |
| A | GPJ444 |
| A | HOH493 |
| A | HOH511 |
| A | HOH544 |
| A | HOH575 |
| A | HOH1219 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE GPJ A 444 |
| Chain | Residue |
| A | LYS21 |
| A | ASN93 |
| A | GLY95 |
| A | THR96 |
| A | ARG99 |
| A | ARG123 |
| A | GLN169 |
| A | ASP315 |
| A | GLU343 |
| A | ARG346 |
| A | HIS386 |
| A | ARG387 |
| A | S3P443 |
| A | SKM445 |
| A | HOH485 |
| A | HOH575 |
| A | HOH593 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SKM A 445 |
| Chain | Residue |
| A | LYS21 |
| A | SER22 |
| A | ARG26 |
| A | THR96 |
| A | ALA168 |
| A | GLN169 |
| A | ARG194 |
| A | ASP315 |
| A | LYS342 |
| A | PO4441 |
| A | GPJ444 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 446 |
| Chain | Residue |
| A | LYS301 |
| A | GLY302 |
| A | GLY329 |
| A | LYS330 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG A 447 |
| Chain | Residue |
| A | TYR180 |
| A | GLY220 |
| A | HOH507 |
| A | HOH1387 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 448 |
| Chain | Residue |
| A | MET1 |
| A | GLY431 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 449 |
| Chain | Residue |
| A | ALA360 |
| A | GLU362 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 450 |
| Chain | Residue |
| A | MET273 |
| A | ARG299 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 451 |
| Chain | Residue |
| A | THR142 |
| A | PRO147 |
| A | GLU284 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG A 452 |
| Chain | Residue |
| A | THR344 |
| A | ALA348 |
| A | TYR383 |
| A | HOH813 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PEG A 453 |
| Chain | Residue |
| A | GLY36 |
| A | GLN37 |
| A | ALA225 |
| A | ASN226 |
| A | ASP227 |
| A | HOH1507 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BME B 439 |
| Chain | Residue |
| C | ARG155 |
| C | ARG182 |
| B | GLU14 |
| B | ARG253 |
| B | CYS255 |
| B | ASP292 |
| B | HOH984 |
| site_id | BC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PO4 B 440 |
| Chain | Residue |
| B | ARG127 |
| B | SER167 |
| B | ALA168 |
| B | GLN169 |
| B | GLU338 |
| B | LYS342 |
| B | SKM443 |
| B | HOH483 |
| B | HOH527 |
| B | HOH529 |
| B | HOH565 |
| B | HOH596 |
| site_id | BC9 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE S3P B 441 |
| Chain | Residue |
| B | LYS21 |
| B | SER22 |
| B | ARG26 |
| B | THR96 |
| B | SER167 |
| B | ALA168 |
| B | GLN169 |
| B | ARG194 |
| B | ASP315 |
| B | LYS342 |
| B | GPJ442 |
| B | HOH483 |
| B | HOH527 |
| B | HOH529 |
| B | HOH565 |
| B | HOH596 |
| site_id | CC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GPJ B 442 |
| Chain | Residue |
| B | LYS21 |
| B | ASN93 |
| B | GLY95 |
| B | THR96 |
| B | ARG123 |
| B | GLN169 |
| B | ASP315 |
| B | GLU343 |
| B | ARG346 |
| B | HIS386 |
| B | ARG387 |
| B | S3P441 |
| B | SKM443 |
| B | HOH480 |
| B | HOH579 |
| B | HOH596 |
| site_id | CC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SKM B 443 |
| Chain | Residue |
| B | LYS21 |
| B | SER22 |
| B | ARG26 |
| B | THR96 |
| B | ALA168 |
| B | GLN169 |
| B | ARG194 |
| B | ASP315 |
| B | LYS342 |
| B | PO4440 |
| B | GPJ442 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GPJ B 444 |
| Chain | Residue |
| A | ARG435 |
| B | GLY36 |
| B | GLN37 |
| B | ASN226 |
| B | ASP227 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B 445 |
| Chain | Residue |
| B | MET1 |
| B | GLY431 |
| B | ARG433 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG B 446 |
| Chain | Residue |
| B | LYS210 |
| B | ASP211 |
| B | GLN213 |
| B | SER214 |
| B | ILE215 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PGE B 447 |
| Chain | Residue |
| B | ARG340 |
| B | PRO365 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B 448 |
| Chain | Residue |
| B | ALA348 |
| B | TYR383 |
| B | HOH1249 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 1PE B 449 |
| Chain | Residue |
| B | GLU198 |
| B | LYS202 |
| B | LEU208 |
| B | ILE215 |
| B | GLU287 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME C 439 |
| Chain | Residue |
| C | GLU14 |
| C | ARG253 |
| C | CYS255 |
| C | ASP292 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 440 |
| Chain | Residue |
| C | PRO124 |
| C | ARG127 |
| C | HOH991 |
| site_id | DC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PO4 C 441 |
| Chain | Residue |
| C | ARG127 |
| C | SER167 |
| C | ALA168 |
| C | GLN169 |
| C | GLU338 |
| C | LYS342 |
| C | SKM443 |
| C | HOH502 |
| C | HOH585 |
| C | HOH622 |
| C | HOH1220 |
| C | HOH1262 |
| site_id | DC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GPJ C 442 |
| Chain | Residue |
| C | LYS21 |
| C | ASN93 |
| C | GLY95 |
| C | THR96 |
| C | ARG123 |
| C | GLN169 |
| C | ASP315 |
| C | GLU343 |
| C | ARG346 |
| C | HIS386 |
| C | ARG387 |
| C | SKM443 |
| C | S3P444 |
| C | HOH548 |
| C | HOH622 |
| C | HOH638 |
| site_id | DC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SKM C 443 |
| Chain | Residue |
| C | LYS21 |
| C | SER22 |
| C | ARG26 |
| C | THR96 |
| C | ALA168 |
| C | GLN169 |
| C | ARG194 |
| C | ASP315 |
| C | LYS342 |
| C | PO4441 |
| C | GPJ442 |
| C | HOH622 |
| site_id | DC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE S3P C 444 |
| Chain | Residue |
| C | LYS21 |
| C | SER22 |
| C | ARG26 |
| C | THR96 |
| C | SER167 |
| C | ALA168 |
| C | GLN169 |
| C | ARG194 |
| C | ASP315 |
| C | LYS342 |
| C | GPJ442 |
| C | HOH502 |
| C | HOH585 |
| C | HOH622 |
| C | HOH1220 |
| C | HOH1262 |
| site_id | DC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG C 445 |
| Chain | Residue |
| C | THR344 |
| C | ALA348 |
| C | TYR383 |
| C | HOH1561 |
| C | HOH1562 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 C 446 |
| Chain | Residue |
| C | PRO7 |
| C | SER8 |
| C | GLN9 |
| C | ASN428 |
| C | HOH534 |
| site_id | DC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG C 447 |
| Chain | Residue |
| C | GLN4 |
| C | ILE6 |
| C | ASN423 |
| C | VAL429 |
| C | LYS430 |
| site_id | DC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO C 448 |
| Chain | Residue |
| C | ILE6 |
| C | PRO7 |
| C | LYS400 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO C 449 |
| Chain | Residue |
| C | ARG253 |
| C | ARG296 |
| C | HOH939 |
| site_id | EC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PG4 C 450 |
| Chain | Residue |
| C | LYS202 |
| C | LEU208 |
| C | LYS210 |
| site_id | EC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BME D 439 |
| Chain | Residue |
| D | GLU14 |
| D | ARG253 |
| D | CYS255 |
| D | ASP292 |
| site_id | EC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL D 440 |
| Chain | Residue |
| D | PRO124 |
| D | ARG127 |
| D | HOH1418 |
| site_id | EC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GPJ D 441 |
| Chain | Residue |
| D | LYS21 |
| D | ASN93 |
| D | GLY95 |
| D | THR96 |
| D | ARG123 |
| D | GLN169 |
| D | ASP315 |
| D | GLU343 |
| D | ARG346 |
| D | HIS386 |
| D | ARG387 |
| D | S3P442 |
| D | SKM443 |
| D | HOH516 |
| D | HOH625 |
| D | HOH963 |
| site_id | EC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE S3P D 442 |
| Chain | Residue |
| D | LYS21 |
| D | SER22 |
| D | ARG26 |
| D | SER167 |
| D | ALA168 |
| D | GLN169 |
| D | ARG194 |
| D | ASP315 |
| D | LYS342 |
| D | GPJ441 |
| D | HOH488 |
| D | HOH554 |
| D | HOH963 |
| D | HOH1217 |
| D | HOH1218 |
| site_id | EC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SKM D 443 |
| Chain | Residue |
| D | LYS21 |
| D | SER22 |
| D | ARG26 |
| D | THR96 |
| D | ALA168 |
| D | GLN169 |
| D | ARG194 |
| D | ASP315 |
| D | LYS342 |
| D | GPJ441 |
| site_id | EC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG D 444 |
| Chain | Residue |
| A | GLY143 |
| A | ASN144 |
| A | HOH1320 |
| D | SER8 |
| D | GLN9 |
| D | ASN428 |
| D | HOH476 |
| site_id | EC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG D 445 |
| Chain | Residue |
| D | ASP140 |
| D | SER141 |
| D | THR142 |
| D | PRO147 |
| site_id | FC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG D 446 |
| Chain | Residue |
| D | ALA348 |
| D | TYR383 |
| site_id | FC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PG4 D 447 |
| Chain | Residue |
| D | ARG199 |
| D | LYS202 |
| D | LEU208 |
| D | LYS210 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_00210 |
| Chain | Residue | Details |
| A | ASP315 | |
| B | ASP315 | |
| C | ASP315 | |
| D | ASP315 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000269|Ref.4, ECO:0007744|PDB:4EGR |
| Chain | Residue | Details |
| A | LYS21 | |
| B | THR96 | |
| B | ARG123 | |
| B | GLN169 | |
| B | ARG346 | |
| B | ARG387 | |
| C | LYS21 | |
| C | GLY95 | |
| C | THR96 | |
| C | ARG123 | |
| C | GLN169 | |
| A | GLY95 | |
| C | ARG346 | |
| C | ARG387 | |
| D | LYS21 | |
| D | GLY95 | |
| D | THR96 | |
| D | ARG123 | |
| D | GLN169 | |
| D | ARG346 | |
| D | ARG387 | |
| A | THR96 | |
| A | ARG123 | |
| A | GLN169 | |
| A | ARG346 | |
| A | ARG387 | |
| B | LYS21 | |
| B | GLY95 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|Ref.3, ECO:0000269|Ref.7, ECO:0007744|PDB:3SLH, ECO:0007744|PDB:4ZND |
| Chain | Residue | Details |
| A | SER22 | |
| B | ALA168 | |
| B | ASP315 | |
| B | LYS342 | |
| C | SER22 | |
| C | ARG26 | |
| C | SER167 | |
| C | ALA168 | |
| C | ASP315 | |
| C | LYS342 | |
| D | SER22 | |
| A | ARG26 | |
| D | ARG26 | |
| D | SER167 | |
| D | ALA168 | |
| D | ASP315 | |
| D | LYS342 | |
| A | SER167 | |
| A | ALA168 | |
| A | ASP315 | |
| A | LYS342 | |
| B | SER22 | |
| B | ARG26 | |
| B | SER167 |
