6G5F
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004222 | molecular_function | metalloendopeptidase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005576 | cellular_component | extracellular region |
A | 0006508 | biological_process | proteolysis |
A | 0008233 | molecular_function | peptidase activity |
A | 0008237 | molecular_function | metallopeptidase activity |
A | 0008270 | molecular_function | zinc ion binding |
A | 0008289 | molecular_function | lipid binding |
A | 0008320 | molecular_function | protein transmembrane transporter activity |
A | 0016020 | cellular_component | membrane |
A | 0016787 | molecular_function | hydrolase activity |
A | 0020002 | cellular_component | host cell plasma membrane |
A | 0030430 | cellular_component | host cell cytoplasm |
A | 0033644 | cellular_component | host cell membrane |
A | 0035821 | biological_process | modulation of process of another organism |
A | 0044161 | cellular_component | host cell cytoplasmic vesicle |
A | 0044164 | cellular_component | host cell cytosol |
A | 0044221 | cellular_component | host cell synapse |
A | 0044231 | cellular_component | host cell presynaptic membrane |
A | 0046872 | molecular_function | metal ion binding |
A | 0071806 | biological_process | protein transmembrane transport |
A | 0090729 | molecular_function | toxin activity |
B | 0004222 | molecular_function | metalloendopeptidase activity |
B | 0005515 | molecular_function | protein binding |
B | 0005576 | cellular_component | extracellular region |
B | 0006508 | biological_process | proteolysis |
B | 0008233 | molecular_function | peptidase activity |
B | 0008237 | molecular_function | metallopeptidase activity |
B | 0008270 | molecular_function | zinc ion binding |
B | 0008289 | molecular_function | lipid binding |
B | 0008320 | molecular_function | protein transmembrane transporter activity |
B | 0016020 | cellular_component | membrane |
B | 0016787 | molecular_function | hydrolase activity |
B | 0020002 | cellular_component | host cell plasma membrane |
B | 0030430 | cellular_component | host cell cytoplasm |
B | 0033644 | cellular_component | host cell membrane |
B | 0035821 | biological_process | modulation of process of another organism |
B | 0044161 | cellular_component | host cell cytoplasmic vesicle |
B | 0044164 | cellular_component | host cell cytosol |
B | 0044221 | cellular_component | host cell synapse |
B | 0044231 | cellular_component | host cell presynaptic membrane |
B | 0046872 | molecular_function | metal ion binding |
B | 0071806 | biological_process | protein transmembrane transport |
B | 0090729 | molecular_function | toxin activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | binding site for residue GOL A 1301 |
Chain | Residue |
A | ASP69 |
A | GLN259 |
A | SER375 |
B | GLU452 |
B | MLI1301 |
site_id | AC2 |
Number of Residues | 4 |
Details | binding site for residue GOL A 1302 |
Chain | Residue |
A | GLN207 |
A | GLN275 |
B | LEU705 |
B | ASN709 |
site_id | AC3 |
Number of Residues | 3 |
Details | binding site for residue GOL A 1303 |
Chain | Residue |
A | ARG123 |
A | VAL124 |
A | ASN130 |
site_id | AC4 |
Number of Residues | 10 |
Details | binding site for residue MLI B 1301 |
Chain | Residue |
A | GLN259 |
A | PHE374 |
A | ASP376 |
A | GOL1301 |
B | GLU452 |
B | LEU454 |
B | PHE456 |
B | THR710 |
B | TYR713 |
B | THR714 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095 |
Chain | Residue | Details |
A | GLN231 | |
B | GLN231 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:10932256, ECO:0000305|PubMed:1429690, ECO:0007744|PDB:1EPW, ECO:0007744|PDB:1F31, ECO:0007744|PDB:2NP0 |
Chain | Residue | Details |
A | HIS230 | |
A | TYR234 | |
B | HIS230 | |
B | TYR234 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10932256, ECO:0007744|PDB:1EPW, ECO:0007744|PDB:1F31, ECO:0007744|PDB:2NP0 |
Chain | Residue | Details |
A | GLU268 | |
B | GLU268 |
site_id | SWS_FT_FI4 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0007744|PDB:4KBB |
Chain | Residue | Details |
A | ASN1025 | |
B | ASN1025 |
site_id | SWS_FT_FI5 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10932256, ECO:0000305|PubMed:14731268, ECO:0007744|PDB:4KBB |
Chain | Residue | Details |
A | GLU1189 | |
A | ILE1240 | |
B | GLU1189 | |
B | ILE1240 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 5 |
Details | M-CSA 626 |
Chain | Residue | Details |
A | HIS230 | metal ligand |
A | GLN231 | proton acceptor, proton donor |
A | TYR234 | metal ligand |
A | GLU268 | metal ligand |
A | ARG370 | electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | 5 |
Details | M-CSA 626 |
Chain | Residue | Details |
B | HIS230 | metal ligand |
B | GLN231 | proton acceptor, proton donor |
B | TYR234 | metal ligand |
B | GLU268 | metal ligand |
B | ARG370 | electrostatic stabiliser |