6G5G
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
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 | 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 | 0020002 | cellular_component | host cell plasma membrane |
| A | 0030430 | cellular_component | host cell cytoplasm |
| 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 | 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 | 0020002 | cellular_component | host cell plasma membrane |
| B | 0030430 | cellular_component | host cell cytoplasm |
| 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 | 6 |
| Details | binding site for residue MG A 1301 |
| Chain | Residue |
| A | ASP285 |
| A | HOH1442 |
| A | HOH1454 |
| A | HOH1506 |
| A | HOH1533 |
| B | HOH1860 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 1302 |
| Chain | Residue |
| A | THR30 |
| B | GLU1097 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 1301 |
| Chain | Residue |
| B | TYR1133 |
| B | GLU1266 |
| B | ARG1269 |
| B | HOH1465 |
| B | HIS947 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue PEG B 1302 |
| Chain | Residue |
| B | SER618 |
| B | SER781 |
| B | TYR856 |
| B | ASN862 |
| B | HOH1553 |
| B | HOH1588 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue TRS B 1303 |
| Chain | Residue |
| B | GLU534 |
| B | GLY631 |
| B | GLU653 |
| B | ACT1304 |
| B | HOH1493 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue ACT B 1304 |
| Chain | Residue |
| B | ASN632 |
| B | LEU652 |
| B | TRS1303 |
| B | HOH1602 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 1305 |
| Chain | Residue |
| B | ASP1138 |
| B | TYR1140 |
| B | GLU1291 |
| B | HOH1575 |
| B | HOH1702 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 1306 |
| Chain | Residue |
| B | ASN1105 |
| B | LYS1126 |
| B | ARG1242 |
| B | ASP1255 |
| B | HOH1502 |
| B | HOH1590 |
| B | HOH1669 |
| B | HOH1854 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 1307 |
| Chain | Residue |
| B | TYR542 |
| B | THR545 |
| B | PHE546 |
| B | PRO547 |
| B | ALA562 |
| B | HOH1418 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 1308 |
| Chain | Residue |
| B | ARG970 |
| B | GLU988 |
| B | ARG1269 |
| B | PRO1271 |
| B | ASN1273 |
| B | HOH1430 |
| B | HOH1491 |
| B | HOH1660 |
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 |
