2YCP
F448H mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0006520 | biological_process | amino acid metabolic process |
| A | 0006570 | biological_process | tyrosine metabolic process |
| A | 0009072 | biological_process | aromatic amino acid metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016830 | molecular_function | carbon-carbon lyase activity |
| A | 0050371 | molecular_function | tyrosine phenol-lyase activity |
| B | 0006520 | biological_process | amino acid metabolic process |
| B | 0006570 | biological_process | tyrosine metabolic process |
| B | 0009072 | biological_process | aromatic amino acid metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016830 | molecular_function | carbon-carbon lyase activity |
| B | 0050371 | molecular_function | tyrosine phenol-lyase activity |
| C | 0006520 | biological_process | amino acid metabolic process |
| C | 0006570 | biological_process | tyrosine metabolic process |
| C | 0009072 | biological_process | aromatic amino acid metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016830 | molecular_function | carbon-carbon lyase activity |
| C | 0050371 | molecular_function | tyrosine phenol-lyase activity |
| D | 0006520 | biological_process | amino acid metabolic process |
| D | 0006570 | biological_process | tyrosine metabolic process |
| D | 0009072 | biological_process | aromatic amino acid metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016830 | molecular_function | carbon-carbon lyase activity |
| D | 0050371 | molecular_function | tyrosine phenol-lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE P61 A 600 |
| Chain | Residue |
| A | PHE36 |
| A | ASN185 |
| A | ASP214 |
| A | ARG217 |
| A | SER254 |
| A | LYS257 |
| A | MET379 |
| A | ARG381 |
| A | ARG404 |
| A | HIS448 |
| A | PHE449 |
| A | THR49 |
| A | HOH2095 |
| A | GLN98 |
| A | GLY99 |
| A | ARG100 |
| A | GLU103 |
| A | PHE123 |
| A | THR124 |
| A | THR125 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PGE A 1457 |
| Chain | Residue |
| A | ASP139 |
| A | LYS162 |
| A | LYS165 |
| A | GLU169 |
| A | LYS170 |
| A | HOH2476 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PGE A 1458 |
| Chain | Residue |
| A | LYS226 |
| A | GLU227 |
| A | GLU233 |
| A | HOH2477 |
| A | HOH2478 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PGE A 1459 |
| Chain | Residue |
| A | GLU313 |
| A | HOH2481 |
| D | VAL16 |
| D | SER17 |
| D | HOH2023 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1460 |
| Chain | Residue |
| A | LYS444 |
| A | PGE1461 |
| B | SER277 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGE A 1461 |
| Chain | Residue |
| A | GLU442 |
| A | LYS444 |
| A | PG41460 |
| A | HOH2483 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 1462 |
| Chain | Residue |
| A | GLY52 |
| A | ASN262 |
| A | HOH2094 |
| B | GLU69 |
| B | HOH2321 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K A 1463 |
| Chain | Residue |
| A | GLU69 |
| A | HOH2332 |
| B | GLY52 |
| B | ASN262 |
| B | HOH2095 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1464 |
| Chain | Residue |
| A | VAL16 |
| A | SER17 |
| A | MET18 |
| A | TYR44 |
| A | HOH2484 |
| D | GLN311 |
| D | GLU313 |
| site_id | BC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE P61 B 600 |
| Chain | Residue |
| B | PHE36 |
| B | THR49 |
| B | GLN98 |
| B | GLY99 |
| B | ARG100 |
| B | GLU103 |
| B | PHE123 |
| B | THR124 |
| B | ASN185 |
| B | ASP214 |
| B | ARG217 |
| B | SER254 |
| B | LYS257 |
| B | MET379 |
| B | ARG381 |
| B | ARG404 |
| B | HIS448 |
| B | PHE449 |
| B | HOH2236 |
| B | HOH2442 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 B 1457 |
| Chain | Residue |
| B | ASP139 |
| B | LYS162 |
| B | GLU169 |
| B | HOH2225 |
| B | HOH2443 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGE B 1458 |
| Chain | Residue |
| B | LYS226 |
| B | GLU233 |
| B | TYR312 |
| B | GLU313 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PG4 B 1459 |
| Chain | Residue |
| A | SER277 |
| B | LYS444 |
| B | EDO1460 |
| B | HOH2445 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 1460 |
| Chain | Residue |
| B | GLU442 |
| B | PG41459 |
| B | HOH2446 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PGE B 1461 |
| Chain | Residue |
| B | HOH2447 |
| B | HOH2449 |
| D | LYS59 |
| D | MET66 |
| B | LYS59 |
| B | MET66 |
| B | HOH2104 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 1PE B 1462 |
| Chain | Residue |
| B | VAL16 |
| B | MET18 |
| B | HOH2450 |
| C | GLU313 |
| site_id | BC8 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE P61 C 600 |
| Chain | Residue |
| C | PHE36 |
| C | THR49 |
| C | GLN98 |
| C | GLY99 |
| C | ARG100 |
| C | GLU103 |
| C | PHE123 |
| C | THR124 |
| C | ASN185 |
| C | ASP214 |
| C | ARG217 |
| C | SER254 |
| C | LYS257 |
| C | MET379 |
| C | ARG381 |
| C | ARG404 |
| C | HIS448 |
| C | PHE449 |
| C | HOH2235 |
| C | HOH2472 |
| site_id | BC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE P33 C 1457 |
| Chain | Residue |
| B | MET1 |
| B | TYR3 |
| B | TYR324 |
| B | TYR414 |
| B | ASP422 |
| B | HOH2413 |
| C | MET1 |
| C | TYR3 |
| C | ASP422 |
| C | HOH2426 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PGE C 1458 |
| Chain | Residue |
| B | GLN311 |
| B | GLU313 |
| C | VAL16 |
| C | SER17 |
| C | TYR44 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PGE C 1459 |
| Chain | Residue |
| C | VAL138 |
| C | ASP139 |
| C | LYS165 |
| C | LEU166 |
| C | GLU169 |
| C | LYS170 |
| C | HOH2474 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PGE C 1460 |
| Chain | Residue |
| C | LYS226 |
| C | TYR312 |
| C | HOH2278 |
| C | HOH2476 |
| C | HOH2477 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGE C 1461 |
| Chain | Residue |
| C | LYS444 |
| C | HOH2480 |
| D | SER277 |
| D | GLU280 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG C 1462 |
| Chain | Residue |
| C | GLU442 |
| C | HOH2481 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 1463 |
| Chain | Residue |
| C | GLY52 |
| C | ASN262 |
| D | GLU69 |
| D | HOH2098 |
| D | HOH2305 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K C 1464 |
| Chain | Residue |
| C | GLU69 |
| C | HOH2325 |
| D | GLY52 |
| D | ASN262 |
| D | HOH2079 |
| site_id | CC8 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE P61 D 600 |
| Chain | Residue |
| D | PHE36 |
| D | THR49 |
| D | GLN98 |
| D | GLY99 |
| D | ARG100 |
| D | GLU103 |
| D | PHE123 |
| D | THR124 |
| D | ASN185 |
| D | ASP214 |
| D | THR216 |
| D | ARG217 |
| D | SER254 |
| D | LYS257 |
| D | MET379 |
| D | ARG381 |
| D | ARG404 |
| D | HIS448 |
| D | PHE449 |
| D | HOH2080 |
| site_id | CC9 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE P33 D 1457 |
| Chain | Residue |
| A | MET1 |
| A | TYR3 |
| A | TYR324 |
| A | TYR414 |
| A | ALA415 |
| A | ASP422 |
| A | HOH2435 |
| D | MET1 |
| D | TYR3 |
| D | TYR324 |
| D | TYR414 |
| D | ASP422 |
| site_id | DC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PGE D 1458 |
| Chain | Residue |
| D | TYR116 |
| D | ASP139 |
| D | LYS162 |
| D | LYS165 |
| D | LEU166 |
| D | GLU169 |
| D | LYS170 |
| D | HOH2442 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PGE D 1459 |
| Chain | Residue |
| D | GLU233 |
| D | HOH2244 |
| D | HOH2259 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PG4 D 1460 |
| Chain | Residue |
| C | SER277 |
| C | GLU280 |
| D | LYS444 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PGE D 1461 |
| Chain | Residue |
| D | GLU442 |
| D | LYS444 |
| site_id | DC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG D 1462 |
| Chain | Residue |
| D | LEU109 |
| D | ILE111 |
| D | LYS112 |
Functional Information from PROSITE/UniProt
| site_id | PS00853 |
| Number of Residues | 19 |
| Details | BETA_ELIM_LYASE Beta-eliminating lyases pyridoxal-phosphate attachment site. YaDgctMSGKKDcLVnIGG |
| Chain | Residue | Details |
| A | TYR247-GLY265 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-(pyridoxal phosphate)lysine |
| Chain | Residue | Details |
| A | LYS257 | |
| B | LYS257 | |
| C | LYS257 | |
| D | LYS257 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 933 |
| Chain | Residue | Details |
| A | TYR71 | proton acceptor, proton donor |
| A | PHE123 | steric role |
| A | THR124 | electrostatic stabiliser |
| A | ASP214 | electrostatic stabiliser |
| A | LYS257 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | ARG381 | electrostatic stabiliser |
| A | HIS448 | electrostatic stabiliser, ground state destabiliser |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 933 |
| Chain | Residue | Details |
| B | TYR71 | proton acceptor, proton donor |
| B | PHE123 | steric role |
| B | THR124 | electrostatic stabiliser |
| B | ASP214 | electrostatic stabiliser |
| B | LYS257 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | ARG381 | electrostatic stabiliser |
| B | HIS448 | electrostatic stabiliser, ground state destabiliser |
| site_id | MCSA3 |
| Number of Residues | 7 |
| Details | M-CSA 933 |
| Chain | Residue | Details |
| C | TYR71 | proton acceptor, proton donor |
| C | PHE123 | steric role |
| C | THR124 | electrostatic stabiliser |
| C | ASP214 | electrostatic stabiliser |
| C | LYS257 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| C | ARG381 | electrostatic stabiliser |
| C | HIS448 | electrostatic stabiliser, ground state destabiliser |
| site_id | MCSA4 |
| Number of Residues | 7 |
| Details | M-CSA 933 |
| Chain | Residue | Details |
| D | TYR71 | proton acceptor, proton donor |
| D | PHE123 | steric role |
| D | THR124 | electrostatic stabiliser |
| D | ASP214 | electrostatic stabiliser |
| D | LYS257 | covalently attached, electron pair acceptor, electron pair donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| D | ARG381 | electrostatic stabiliser |
| D | HIS448 | electrostatic stabiliser, ground state destabiliser |
