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 | 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 | 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 | 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":"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 | 1 |
| 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 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 51 |
| Details | Region: {"description":"Belt; not required for channel formation","evidences":[{"source":"PubMed","id":"10932256","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 221 |
| Details | Region: {"description":"N-terminus of receptor binding domain (N-RBD)","evidences":[{"source":"UniProtKB","id":"P0DPI0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 211 |
| Details | Region: {"description":"C-terminus of receptor binding domain (C-RBD)","evidences":[{"source":"UniProtKB","id":"P0DPI0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 3 |
| Details | Motif: {"description":"Host ganglioside-binding motif","evidences":[{"source":"PubMed","id":"10932256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14731268","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17185412","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PDB","id":"4KBB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10932256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14731268","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4KBB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
