6LLA
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| B | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| C | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| D | 0003856 | molecular_function | 3-dehydroquinate synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 33 |
| Details | binding site for residue NAD A 401 |
| Chain | Residue |
| A | ASN42 |
| A | THR129 |
| A | THR130 |
| A | LEU132 |
| A | ASP136 |
| A | LYS142 |
| A | ASN152 |
| A | CYS169 |
| A | THR172 |
| A | LEU173 |
| A | GLU177 |
| A | LEU45 |
| A | LYS226 |
| A | EDO408 |
| A | PEG415 |
| A | HOH508 |
| A | HOH517 |
| A | HOH542 |
| A | HOH547 |
| A | HOH578 |
| A | HOH586 |
| A | HOH589 |
| A | ASP71 |
| A | HOH606 |
| A | HOH643 |
| A | HOH682 |
| A | HOH746 |
| A | GLU73 |
| A | LYS76 |
| A | GLY104 |
| A | GLY105 |
| A | VAL106 |
| A | ASP109 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | ASP136 |
| A | GLU184 |
| A | HIS248 |
| A | HIS265 |
| A | HOH552 |
| A | HOH585 |
| A | HOH667 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | SER77 |
| A | LEU78 |
| A | PHE79 |
| A | ASN146 |
| A | HIS147 |
| A | PRO148 |
| C | ASN82 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | ASP9 |
| A | ARG11 |
| A | PHE157 |
| A | TYR158 |
| A | GLN159 |
| A | EDO409 |
| A | PEG417 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | TRP263 |
| A | PRO304 |
| A | THR306 |
| A | GLY307 |
| A | HOH532 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | GLN25 |
| A | ASP26 |
| A | PHE28 |
| A | LEU31 |
| A | SER60 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | SER198 |
| A | TRP199 |
| A | GLU202 |
| A | HOH630 |
| B | SER198 |
| B | TRP199 |
| B | GLU202 |
| B | HOH618 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | GLY108 |
| A | ASP109 |
| A | PHE124 |
| A | GLN126 |
| A | SER137 |
| A | LYS142 |
| A | NAD401 |
| A | HOH572 |
| A | HOH616 |
| A | HOH648 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 409 |
| Chain | Residue |
| A | ARG11 |
| A | TYR158 |
| A | GLN159 |
| A | EDO404 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | LYS278 |
| A | GLU281 |
| A | LEU282 |
| A | ALA359 |
| A | HOH567 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | GLU257 |
| A | HOH564 |
| site_id | AD3 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 412 |
| Chain | Residue |
| A | HOH611 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 413 |
| Chain | Residue |
| A | GLN23 |
| A | GLN24 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 414 |
| Chain | Residue |
| A | TRP29 |
| A | HOH680 |
| B | GLU236 |
| A | LYS3 |
| A | PRO14 |
| A | ASN16 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue PEG A 415 |
| Chain | Residue |
| A | LYS142 |
| A | LYS226 |
| A | ARG241 |
| A | LEU244 |
| A | ASN245 |
| A | NAD401 |
| A | HOH579 |
| A | HOH651 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 416 |
| Chain | Residue |
| A | GLN119 |
| A | ARG120 |
| A | HOH685 |
| C | LYS151 |
| C | ASN152 |
| C | EDO406 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 417 |
| Chain | Residue |
| A | ASP9 |
| A | PHE157 |
| A | EDO404 |
| A | HOH576 |
| A | HOH609 |
| C | HOH648 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 418 |
| Chain | Residue |
| A | MET1 |
| A | HOH502 |
| A | HOH558 |
| A | HOH569 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 419 |
| Chain | Residue |
| A | ILE191 |
| A | THR337 |
| A | HIS341 |
| A | SER342 |
| site_id | AE2 |
| Number of Residues | 30 |
| Details | binding site for residue NAD B 401 |
| Chain | Residue |
| B | ASN42 |
| B | LEU45 |
| B | ASP71 |
| B | GLU73 |
| B | LYS76 |
| B | GLY104 |
| B | GLY105 |
| B | VAL106 |
| B | ASP109 |
| B | THR129 |
| B | THR130 |
| B | LEU132 |
| B | ASP136 |
| B | LYS142 |
| B | ASN152 |
| B | CYS169 |
| B | THR172 |
| B | LEU173 |
| B | GLU177 |
| B | LYS226 |
| B | EDO411 |
| B | HOH505 |
| B | HOH541 |
| B | HOH568 |
| B | HOH585 |
| B | HOH589 |
| B | HOH601 |
| B | HOH636 |
| B | HOH640 |
| B | HOH649 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| B | ASP136 |
| B | GLU184 |
| B | HIS248 |
| B | HIS265 |
| B | HOH548 |
| B | HOH586 |
| B | HOH674 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | ASN152 |
| B | MET153 |
| D | GLN119 |
| D | ARG120 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | ASP9 |
| B | ARG11 |
| B | PHE157 |
| B | TYR158 |
| B | GLN159 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | LYS278 |
| B | VAL305 |
| B | THR306 |
| B | ALA359 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | LEU8 |
| B | ASP9 |
| B | GLY140 |
| B | GLN159 |
| B | VAL230 |
| B | ARG241 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | PRO30 |
| B | ARG123 |
| B | ALA161 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 409 |
| Chain | Residue |
| B | GLU43 |
| B | THR44 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 410 |
| Chain | Residue |
| B | GLN119 |
| B | ARG120 |
| D | LYS151 |
| D | ASN152 |
| site_id | AF2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 411 |
| Chain | Residue |
| B | ASP136 |
| B | LYS226 |
| B | ARG241 |
| B | NAD401 |
| site_id | AF3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 412 |
| Chain | Residue |
| B | GLN25 |
| B | ASP26 |
| B | ALA27 |
| B | PHE28 |
| B | LEU31 |
| B | SER60 |
| B | HOH501 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 413 |
| Chain | Residue |
| B | GLN312 |
| B | PRO313 |
| B | ASP314 |
| site_id | AF5 |
| Number of Residues | 1 |
| Details | binding site for residue PEG B 414 |
| Chain | Residue |
| B | GLU257 |
| site_id | AF6 |
| Number of Residues | 28 |
| Details | binding site for residue NAD C 401 |
| Chain | Residue |
| C | ASN42 |
| C | THR44 |
| C | LEU45 |
| C | ASP71 |
| C | GLU73 |
| C | LYS76 |
| C | GLY104 |
| C | GLY105 |
| C | VAL106 |
| C | ASP109 |
| C | THR129 |
| C | THR130 |
| C | ASP136 |
| C | LYS142 |
| C | ASN152 |
| C | CYS169 |
| C | THR172 |
| C | LEU173 |
| C | GLU177 |
| C | LYS226 |
| C | HOH510 |
| C | HOH512 |
| C | HOH524 |
| C | HOH534 |
| C | HOH538 |
| C | HOH559 |
| C | HOH569 |
| C | HOH574 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 402 |
| Chain | Residue |
| C | GLU184 |
| C | HIS248 |
| C | HIS265 |
| C | HOH522 |
| C | HOH576 |
| C | HOH601 |
| site_id | AF8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| C | LEU240 |
| C | LEU243 |
| C | HIS341 |
| C | SER342 |
| site_id | AF9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| C | ARG11 |
| C | TYR158 |
| C | GLN159 |
| C | HOH590 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| C | VAL6 |
| C | THR7 |
| C | ALA227 |
| C | ALA231 |
| site_id | AG2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 406 |
| Chain | Residue |
| A | ARG120 |
| A | PEG416 |
| C | LYS142 |
| C | ASN152 |
| C | PEG407 |
| C | HOH501 |
| site_id | AG3 |
| Number of Residues | 7 |
| Details | binding site for residue PEG C 407 |
| Chain | Residue |
| C | LYS142 |
| C | LYS226 |
| C | ARG241 |
| C | ASN245 |
| C | EDO406 |
| C | HOH501 |
| C | HOH512 |
| site_id | AG4 |
| Number of Residues | 31 |
| Details | binding site for residue NAD D 401 |
| Chain | Residue |
| D | ASN42 |
| D | THR44 |
| D | LEU45 |
| D | ASP71 |
| D | GLU73 |
| D | LYS76 |
| D | GLY104 |
| D | GLY105 |
| D | VAL106 |
| D | ASP109 |
| D | THR129 |
| D | THR130 |
| D | ASP136 |
| D | SER137 |
| D | LYS142 |
| D | ASN152 |
| D | CYS169 |
| D | THR172 |
| D | LEU173 |
| D | GLU177 |
| D | LYS226 |
| D | HOH505 |
| D | HOH508 |
| D | HOH510 |
| D | HOH523 |
| D | HOH534 |
| D | HOH568 |
| D | HOH572 |
| D | HOH600 |
| D | HOH609 |
| D | HOH633 |
| site_id | AG5 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 402 |
| Chain | Residue |
| D | GLU184 |
| D | HIS248 |
| D | HIS265 |
| D | HOH524 |
| D | HOH541 |
| D | HOH606 |
| site_id | AG6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| D | LYS142 |
| D | LYS226 |
| D | ARG241 |
| D | LEU244 |
| site_id | AG7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| D | ILE191 |
| D | HIS341 |
| D | SER342 |
| D | HOH577 |
| site_id | AG8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 405 |
| Chain | Residue |
| D | ARG176 |
| D | TRP263 |
| D | GLU267 |
| D | PRO304 |
| site_id | AG9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 406 |
| Chain | Residue |
| D | ALA256 |
| D | GLU257 |
| site_id | AH1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 407 |
| Chain | Residue |
| D | ALA46 |
| D | ILE68 |
| D | HOH514 |
