4THI
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 372 |
| Chain | Residue |
| A | HIS282 |
| A | PRO283 |
| A | GLU284 |
| A | LEU285 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PYD A 371 |
| Chain | Residue |
| A | ASP272 |
| A | TYR16 |
| A | TYR18 |
| A | CYS113 |
| A | TYR239 |
| site_id | NUC |
| Number of Residues | 1 |
| Details | CYS 113 IS AN INACTIVE NUCLEOPHILE DUE TO THE COVALENT ADDITION 4-AMINO-2,5-DIMETHYLPYRIMIDINE |
| Chain | Residue |
| A | CYS113 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile |
| Chain | Residue | Details |
| A | CYS113 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | GLU241 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2thi |
| Chain | Residue | Details |
| A | CYS113 | |
| A | GLU241 |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 357 |
| Chain | Residue | Details |
| A | CYS113 | activator, covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | GLU241 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ASP272 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, steric role |
