3QIZ
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 431 |
| Chain | Residue |
| A | HIS223 |
| A | HIS227 |
| A | GLU262 |
| A | QI2432 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE QI2 A 432 |
| Chain | Residue |
| A | GLU224 |
| A | HIS227 |
| A | GLU262 |
| A | ARG363 |
| A | TYR366 |
| A | LEU367 |
| A | ASN368 |
| A | ZN431 |
| A | HOH523 |
| A | HOH545 |
| A | HOH624 |
| A | VAL68 |
| A | PRO69 |
| A | PHE163 |
| A | PHE194 |
| A | HIS223 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG A 700 |
| Chain | Residue |
| A | LYS375 |
| A | MET411 |
| A | ASN412 |
| A | THR414 |
| A | HOH559 |
Functional Information from PROSITE/UniProt
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TLAHELIHAG |
| Chain | Residue | Details |
| A | THR220-GLY229 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000305|PubMed:10694409 |
| Chain | Residue | Details |
| A | GLU224 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:15592454, ECO:0000269|PubMed:19351593, ECO:0007744|PDB:1XTF, ECO:0007744|PDB:1XTG, ECO:0007744|PDB:2W2D, ECO:0007744|PDB:3V0A, ECO:0007744|PDB:3V0B |
| Chain | Residue | Details |
| A | HIS223 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:15592454, ECO:0000269|PubMed:19351593, ECO:0000305|PubMed:7578132, ECO:0007744|PDB:1XTF, ECO:0007744|PDB:1XTG, ECO:0007744|PDB:2W2D, ECO:0007744|PDB:3V0A, ECO:0007744|PDB:3V0B |
| Chain | Residue | Details |
| A | HIS227 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15592454, ECO:0000269|PubMed:19351593, ECO:0000305|PubMed:11700044, ECO:0007744|PDB:1XTF, ECO:0007744|PDB:1XTG, ECO:0007744|PDB:2W2D, ECO:0007744|PDB:3V0A, ECO:0007744|PDB:3V0B |
| Chain | Residue | Details |
| A | GLU262 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000305|PubMed:11827515 |
| Chain | Residue | Details |
| A | ARG363 | |
| A | TYR366 |
