4Q2K
Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004252 | molecular_function | serine-type endopeptidase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005576 | cellular_component | extracellular region |
A | 0006508 | biological_process | proteolysis |
A | 0007586 | biological_process | digestion |
A | 0008236 | molecular_function | serine-type peptidase activity |
A | 0097180 | cellular_component | serine protease inhibitor complex |
A | 0097655 | molecular_function | serpin family protein binding |
B | 0004252 | molecular_function | serine-type endopeptidase activity |
B | 0005515 | molecular_function | protein binding |
B | 0005576 | cellular_component | extracellular region |
B | 0006508 | biological_process | proteolysis |
B | 0007586 | biological_process | digestion |
B | 0008236 | molecular_function | serine-type peptidase activity |
B | 0097180 | cellular_component | serine protease inhibitor complex |
B | 0097655 | molecular_function | serpin family protein binding |
C | 0004252 | molecular_function | serine-type endopeptidase activity |
C | 0005515 | molecular_function | protein binding |
C | 0005576 | cellular_component | extracellular region |
C | 0006508 | biological_process | proteolysis |
C | 0007586 | biological_process | digestion |
C | 0008236 | molecular_function | serine-type peptidase activity |
C | 0097180 | cellular_component | serine protease inhibitor complex |
C | 0097655 | molecular_function | serpin family protein binding |
D | 0004252 | molecular_function | serine-type endopeptidase activity |
D | 0005515 | molecular_function | protein binding |
D | 0005576 | cellular_component | extracellular region |
D | 0006508 | biological_process | proteolysis |
D | 0007586 | biological_process | digestion |
D | 0008236 | molecular_function | serine-type peptidase activity |
D | 0097180 | cellular_component | serine protease inhibitor complex |
D | 0097655 | molecular_function | serpin family protein binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 5BF A 301 |
Chain | Residue |
A | CYS191 |
A | SER218 |
A | HOH466 |
A | HOH510 |
A | MET192 |
A | GLY193 |
A | ASP194 |
A | SER195 |
A | SER214 |
A | TRP215 |
A | GLY216 |
A | SER217 |
site_id | AC2 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE 5BF B 301 |
Chain | Residue |
B | HIS57 |
B | ILE99 |
B | LYS175 |
B | SER190 |
B | CYS191 |
B | GLY193 |
B | SER195 |
B | SER214 |
B | TRP215 |
B | GLY216 |
B | SER217 |
B | SER218 |
B | HOH431 |
B | HOH447 |
B | HOH536 |
B | HOH540 |
C | ASN18 |
C | ALA185 |
C | GLY187 |
C | THR222 |
C | SER223 |
C | HOH466 |
site_id | AC3 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE 5BF C 301 |
Chain | Residue |
C | HIS57 |
C | ASP102 |
C | LYS175 |
C | SER190 |
C | CYS191 |
C | MET192 |
C | GLY193 |
C | ASP194 |
C | SER195 |
C | SER214 |
C | TRP215 |
C | GLY216 |
C | SER217 |
C | SER218 |
C | HOH408 |
site_id | AC4 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE 5BF D 301 |
Chain | Residue |
A | ASN18 |
A | ALA185 |
A | SER186 |
A | THR222 |
A | SER223 |
D | HIS57 |
D | LYS175 |
D | SER190 |
D | CYS191 |
D | MET192 |
D | GLY193 |
D | ASP194 |
D | SER195 |
D | SER214 |
D | TRP215 |
D | GLY216 |
D | SER217 |
D | CYS220 |
D | HOH410 |
D | HOH411 |
D | HOH415 |
D | HOH445 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 12 |
Details | ACT_SITE: Charge relay system |
Chain | Residue | Details |
A | HIS57 | |
D | HIS57 | |
D | ASP102 | |
D | SER195 | |
A | ASP102 | |
A | SER195 | |
B | HIS57 | |
B | ASP102 | |
B | SER195 | |
C | HIS57 | |
C | ASP102 | |
C | SER195 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 5 |
Details | M-CSA 387 |
Chain | Residue | Details |
A | HIS57 | electrostatic stabiliser, proton shuttle (general acid/base) |
A | ASP102 | modifies pKa |
A | GLY193 | electrostatic stabiliser |
A | SER195 | covalent catalysis |
A | GLY196 | electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | 5 |
Details | M-CSA 387 |
Chain | Residue | Details |
B | HIS57 | electrostatic stabiliser, proton shuttle (general acid/base) |
B | ASP102 | modifies pKa |
B | GLY193 | electrostatic stabiliser |
B | SER195 | covalent catalysis |
B | GLY196 | electrostatic stabiliser |
site_id | MCSA3 |
Number of Residues | 5 |
Details | M-CSA 387 |
Chain | Residue | Details |
C | HIS57 | electrostatic stabiliser, proton shuttle (general acid/base) |
C | ASP102 | modifies pKa |
C | GLY193 | electrostatic stabiliser |
C | SER195 | covalent catalysis |
C | GLY196 | electrostatic stabiliser |
site_id | MCSA4 |
Number of Residues | 5 |
Details | M-CSA 387 |
Chain | Residue | Details |
D | HIS57 | electrostatic stabiliser, proton shuttle (general acid/base) |
D | ASP102 | modifies pKa |
D | GLY193 | electrostatic stabiliser |
D | SER195 | covalent catalysis |
D | GLY196 | electrostatic stabiliser |