2ETF
Crystal structure of full length botulinum neurotoxin (Type B) light chain
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 500 |
| Chain | Residue |
| A | HIS229 |
| A | HIS233 |
| A | GLU267 |
| A | HOH574 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 502 |
| Chain | Residue |
| A | HOH579 |
| A | ARG27 |
| A | ARG122 |
| A | ILE132 |
| A | ALA133 |
| A | ILE176 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 501 |
| Chain | Residue |
| B | HIS229 |
| B | HIS233 |
| B | GLU267 |
| B | HOH572 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 503 |
| Chain | Residue |
| B | THR130 |
| B | THR136 |
| B | GLY152 |
| B | ASP311 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 504 |
| Chain | Residue |
| B | ARG27 |
| B | ARG122 |
| B | ILE132 |
| B | ALA133 |
| B | ILE176 |
| B | HOH549 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 505 |
| Chain | Residue |
| B | LYS37 |
| B | ASP40 |
| B | ARG41 |
| B | HOH603 |
| B | HOH679 |
Functional Information from PROSITE/UniProt
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. ILMHELIHVL |
| Chain | Residue | Details |
| A | ILE226-LEU235 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10932256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1429690","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1EPW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1F31","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NP0","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10932256","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1EPW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1F31","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NP0","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1i1e |
| Chain | Residue | Details |
| A | TYR372 | |
| A | ARG369 | |
| A | GLU267 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1i1e |
| Chain | Residue | Details |
| B | TYR372 | |
| B | ARG369 | |
| B | GLU267 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 626 |
| Chain | Residue | Details |
| A | HIS233 | metal ligand |
| A | VAL234 | proton acceptor, proton donor |
| A | GLY237 | metal ligand |
| A | PHE271 | metal ligand |
| A | PHE373 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 626 |
| Chain | Residue | Details |
| B | HIS233 | metal ligand |
| B | VAL234 | proton acceptor, proton donor |
| B | GLY237 | metal ligand |
| B | PHE271 | metal ligand |
| B | PHE373 | electrostatic stabiliser |
