4ELC
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A 501 |
Chain | Residue |
A | HIS223 |
A | HIS227 |
A | GLU262 |
A | LMR504 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE IMD A 502 |
Chain | Residue |
A | PHE194 |
A | ARG363 |
A | ASP370 |
A | LMR504 |
A | HOH752 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE IMD A 503 |
Chain | Residue |
A | ARG363 |
A | TYR366 |
A | ASN368 |
A | ASP370 |
A | LMR504 |
site_id | AC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE LMR A 504 |
Chain | Residue |
A | PHE163 |
A | 0QL165 |
A | HIS223 |
A | GLU224 |
A | HIS227 |
A | GLU262 |
A | ARG363 |
A | TYR366 |
A | ZN501 |
A | IMD502 |
A | IMD503 |
A | HOH709 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE DMS A 505 |
Chain | Residue |
A | SER167 |
A | HIS170 |
A | ASN174 |
A | LEU175 |
A | THR176 |
A | ARG177 |
site_id | AC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 506 |
Chain | Residue |
A | GLU198 |
A | SER199 |
A | LEU200 |
A | LYS340 |
A | HOH736 |
A | HOH1011 |
site_id | AC7 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE SO4 A 507 |
Chain | Residue |
A | ASN40 |
A | LYS41 |
A | THR80 |
A | ASP81 |
A | ASN82 |
A | TYR312 |
A | HOH608 |
A | HOH648 |
A | HOH661 |
A | HOH1054 |
site_id | AC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MPD A 508 |
Chain | Residue |
A | LYS272 |
A | LYS415 |
A | ASN418 |
A | HOH1084 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MPD A 509 |
Chain | Residue |
A | ALA399 |
A | ASN400 |
A | PHE401 |
A | HOH690 |
A | HOH778 |
A | HOH827 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS A 510 |
Chain | Residue |
A | LYS375 |
A | MET411 |
A | ASN412 |
A | PHE413 |
A | THR414 |
site_id | BC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS A 511 |
Chain | Residue |
A | ASN238 |
A | PHE282 |
A | TYR285 |
A | TYR286 |
A | HOH859 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE LI A 512 |
Chain | Residue |
A | ASN410 |
A | PHE413 |
A | HOH805 |
A | HOH872 |
A | HOH985 |
site_id | BC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE LI A 513 |
Chain | Residue |
A | ASP74 |
A | THR76 |
A | GLU83 |
A | HOH921 |
A | HOH924 |
A | HOH940 |
site_id | BC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE LI A 514 |
Chain | Residue |
A | THR385 |
A | ASP388 |
A | HOH783 |
A | HOH829 |
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 | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17173035","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9783750","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"2NYY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3BTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QJ0","evidenceCode":"ECO:0007744"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17173035","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2NYY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3BTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QIZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QJ0","evidenceCode":"ECO:0007744"}]} |
Chain | Residue | Details |