3V0A
2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004222 | molecular_function | metalloendopeptidase activity |
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 | 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 | 0008270 | molecular_function | zinc ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A 1297 |
Chain | Residue |
A | HIS223 |
A | HIS227 |
A | GLU262 |
A | HOH1361 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A 1298 |
Chain | Residue |
A | HOH1491 |
A | ALA575 |
A | ASN578 |
A | ARG581 |
A | HOH1333 |
A | HOH1490 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 1299 |
Chain | Residue |
A | GLU775 |
A | LYS779 |
A | ASN940 |
A | LYS1077 |
A | GLU1078 |
site_id | AC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1300 |
Chain | Residue |
A | ASN763 |
A | THR990 |
A | ASN1046 |
site_id | AC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 A 1301 |
Chain | Residue |
A | SER1002 |
A | ILE1005 |
site_id | AC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 1302 |
Chain | Residue |
A | VAL1143 |
A | MET1144 |
A | TYR1149 |
A | GLU1293 |
A | ARG1294 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1303 |
Chain | Residue |
A | VAL621 |
A | THR623 |
B | GLN577 |
B | GLU578 |
site_id | AC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1304 |
Chain | Residue |
A | ASN959 |
A | ASN960 |
A | GLU961 |
A | ARG1061 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1305 |
Chain | Residue |
A | LYS929 |
A | ASN930 |
A | HOH1422 |
A | HOH1476 |
site_id | BC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1306 |
Chain | Residue |
A | SER79 |
A | THR80 |
A | ASP81 |
site_id | BC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1307 |
Chain | Residue |
A | GLY169 |
A | HIS170 |
A | LEU173 |
A | GLU529 |
site_id | BC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1308 |
Chain | Residue |
A | SER295 |
A | ASN298 |
A | HOH1434 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1309 |
Chain | Residue |
A | LEU416 |
A | ASN418 |
A | HOH1342 |
site_id | BC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1310 |
Chain | Residue |
A | LYS417 |
A | GLY421 |
A | LEU422 |
B | ASN15 |
site_id | BC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 1195 |
Chain | Residue |
B | LYS356 |
B | GLY420 |
B | ASP421 |
B | GLY422 |
B | LYS486 |
B | HOH1212 |
site_id | BC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 1196 |
Chain | Residue |
B | ASN352 |
B | ASN353 |
B | LEU355 |
B | LYS361 |
B | HOH1282 |
site_id | BC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 1197 |
Chain | Residue |
B | ASN335 |
B | ASN337 |
site_id | BC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 1198 |
Chain | Residue |
B | LYS919 |
B | LYS924 |
site_id | CC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 1199 |
Chain | Residue |
A | ARG1179 |
A | GLN1240 |
B | ARG1049 |
site_id | CC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 1200 |
Chain | Residue |
B | SER50 |
B | LEU51 |
B | SER52 |
site_id | CC3 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 1201 |
Chain | Residue |
B | ARG249 |
B | SER425 |
site_id | CC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MES B 1202 |
Chain | Residue |
B | THR284 |
B | LYS292 |
site_id | CC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MES B 1203 |
Chain | Residue |
B | MET414 |
B | ALA506 |
B | ASN508 |
B | THR509 |
B | ASN510 |
B | ASN511 |
B | VAL523 |
site_id | CC6 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MES B 1204 |
Chain | Residue |
B | TYR1164 |
B | ASN1181 |
site_id | CC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MES B 1205 |
Chain | Residue |
B | ASP65 |
B | SER66 |
B | ASP394 |
site_id | CC8 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE SO4 C 144 |
Chain | Residue |
C | ARG100 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 40 |
Details | TRANSMEM: Helical => ECO:0000255 |
Chain | Residue | Details |
A | LEU656-LEU676 | |
A | ILE627-LEU647 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095 |
Chain | Residue | Details |
A | GLN224 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0 |
Chain | Residue | Details |
A | HIS223 | |
A | HIS227 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0 |
Chain | Residue | Details |
A | GLU262 |