3CXI
Structure of BthTX-I complexed with alpha-tocopherol
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 | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 303 |
| Chain | Residue |
| A | LYS16 |
| A | LYS20 |
| A | LYS115 |
| A | ARG118 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 305 |
| Chain | Residue |
| A | THR81 |
| A | ILE104 |
| A | ARG107 |
| B | LYS36 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 308 |
| Chain | Residue |
| B | THR59 |
| B | LYS115 |
| B | ARG118 |
| B | LYS20 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 309 |
| Chain | Residue |
| B | GLY15 |
| B | LYS16 |
| B | ASN17 |
| B | LYS20 |
| B | PRO90 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PE4 B 310 |
| Chain | Residue |
| A | PHE125 |
| B | LYS7 |
| B | LEU10 |
| B | GLN11 |
| B | TYR75 |
| B | TRP77 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE VIT B 311 |
| Chain | Residue |
| A | LEU32 |
| A | PRO123 |
| B | LEU2 |
| B | PHE3 |
| B | LEU5 |
| B | GLY6 |
| B | LYS7 |
| B | ILE9 |
| B | PRO18 |
| B | TYR22 |
| B | CYS29 |
| B | GLY30 |
| B | HIS48 |
| B | LYS49 |
| B | TYR52 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE VIT A 306 |
| Chain | Residue |
| A | LEU2 |
| A | PHE3 |
| A | LEU5 |
| A | GLY6 |
| A | ASN17 |
| A | PRO18 |
| A | ALA19 |
| A | TYR22 |
| A | GLY23 |
| A | GLY30 |
| A | TYR52 |
| B | LEU121 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 303 |
| Chain | Residue |
| A | LYS16 |
| A | LYS20 |
| A | LYS115 |
| A | ARG118 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 305 |
| Chain | Residue |
| A | THR81 |
| A | ILE104 |
| A | ARG107 |
| A | HOH313 |
| A | HOH316 |
| B | LYS36 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 308 |
| Chain | Residue |
| B | LYS20 |
| B | THR59 |
| B | LYS115 |
| B | ARG118 |
| B | SO4309 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 309 |
| Chain | Residue |
| B | GLY15 |
| B | LYS16 |
| B | ASN17 |
| B | LYS20 |
| B | PRO90 |
| B | SO4308 |
| B | HOH430 |
| B | HOH469 |
| site_id | AD3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE VIT A 306 |
| Chain | Residue |
| A | LEU2 |
| A | PHE3 |
| A | LEU5 |
| A | GLY6 |
| A | ASN17 |
| A | PRO18 |
| A | ALA19 |
| A | TYR22 |
| A | GLY23 |
| A | GLY30 |
| A | VAL31 |
| A | TYR52 |
| A | HOH336 |
| B | LEU121 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PE4 B 310 |
| Chain | Residue |
| A | PHE125 |
| B | LYS7 |
| B | LEU10 |
| B | GLN11 |
| B | TYR75 |
| B | TRP77 |
| B | VIT311 |
| B | HOH495 |
| B | HOH499 |
| site_id | AD5 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE VIT B 311 |
| Chain | Residue |
| B | LEU2 |
| B | PHE3 |
| B | LEU5 |
| B | GLY6 |
| B | LYS7 |
| B | ILE9 |
| B | PRO18 |
| B | TYR22 |
| B | CYS29 |
| B | GLY30 |
| B | HIS48 |
| B | LYS49 |
| B | TYR52 |
| B | PE4310 |
| B | HOH484 |
| A | VAL31 |
| A | LEU32 |
| A | PRO123 |
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 | HIS48 | |
| A | GLY30 | |
| A | ASP99 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1n29 |
| Chain | Residue | Details |
| B | HIS48 | |
| B | GLY30 | |
| B | ASP99 |
