3QIY
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1
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 | QI1432 |
site_id | AC2 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE QI1 A 432 |
Chain | Residue |
A | HIS223 |
A | GLU224 |
A | HIS227 |
A | GLU262 |
A | ARG363 |
A | TYR366 |
A | ASN368 |
A | ZN431 |
A | HOH502 |
A | EDO700 |
A | VAL68 |
A | PRO69 |
A | PHE163 |
A | PHE194 |
A | GLY195 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 700 |
Chain | Residue |
A | HIS223 |
A | GLU351 |
A | ARG363 |
A | QI1432 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 701 |
Chain | Residue |
A | LYS375 |
A | ASN377 |
A | MET411 |
A | ASN412 |
A | THR414 |
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 |