3IQ3
Crystal Structure of Bothropstoxin-I complexed with polietilene glicol 4000 - crystallized at 283 K
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004623 | molecular_function | phospholipase A2 activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005543 | molecular_function | phospholipid binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006644 | biological_process | phospholipid metabolic process |
| A | 0008201 | molecular_function | heparin binding |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0035821 | biological_process | modulation of process of another organism |
| A | 0042130 | biological_process | negative regulation of T cell proliferation |
| A | 0042742 | biological_process | defense response to bacterium |
| A | 0047498 | molecular_function | calcium-dependent phospholipase A2 activity |
| A | 0050482 | biological_process | arachidonate secretion |
| A | 0090729 | molecular_function | toxin activity |
| B | 0004623 | molecular_function | phospholipase A2 activity |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005543 | molecular_function | phospholipid binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0006644 | biological_process | phospholipid metabolic process |
| B | 0008201 | molecular_function | heparin binding |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0035821 | biological_process | modulation of process of another organism |
| B | 0042130 | biological_process | negative regulation of T cell proliferation |
| B | 0042742 | biological_process | defense response to bacterium |
| B | 0047498 | molecular_function | calcium-dependent phospholipase A2 activity |
| B | 0050482 | biological_process | arachidonate secretion |
| B | 0090729 | molecular_function | toxin activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PE4 A 122 |
| Chain | Residue |
| A | LEU2 |
| A | GLY6 |
| A | LYS7 |
| A | PRO17 |
| A | TYR21 |
| A | GLY29 |
| A | VAL30 |
| A | HOH170 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 123 |
| Chain | Residue |
| A | ARG33 |
| A | LYS52 |
| A | HOH218 |
| A | GLY32 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 124 |
| Chain | Residue |
| A | THR72 |
| A | ILE94 |
| A | ARG97 |
| A | HOH133 |
| A | HOH144 |
| B | LYS35 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PE4 B 122 |
| Chain | Residue |
| A | LEU31 |
| A | PRO113 |
| B | LEU2 |
| B | PHE3 |
| B | GLY6 |
| B | LYS7 |
| B | PRO17 |
| B | TYR21 |
| B | CYS28 |
| B | GLY29 |
| B | CYS44 |
| B | PE4123 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PE4 B 123 |
| Chain | Residue |
| B | PHE3 |
| B | LYS7 |
| B | LEU10 |
| B | GLN11 |
| B | GLY14 |
| B | TYR66 |
| B | TRP68 |
| B | PE4122 |
| B | HOH234 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | Region: {"description":"Important for membrane-damaging activities in eukaryotes and bacteria; heparin-binding","evidences":[{"source":"UniProtKB","id":"P24605","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Site: {"description":"Important residue of the cationic membrane-docking site (MDoS)","evidences":[{"source":"UniProtKB","id":"I6L8L6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Site: {"description":"Hydrophobic membrane-disruption site (MDiS)","evidences":[{"source":"UniProtKB","id":"I6L8L6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Site: {"description":"Cationic membrane-docking site (MDoS)","evidences":[{"source":"UniProtKB","id":"I6L8L6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1n29 |
| Chain | Residue | Details |
| A | HIS47 | |
| A | ASP89 | |
| A | GLY29 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1n29 |
| Chain | Residue | Details |
| B | HIS47 | |
| B | ASP89 | |
| B | GLY29 |
