3BX1
Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004252 | molecular_function | serine-type endopeptidase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006508 | biological_process | proteolysis |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008236 | molecular_function | serine-type peptidase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0030435 | biological_process | sporulation resulting in formation of a cellular spore |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004252 | molecular_function | serine-type endopeptidase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0006508 | biological_process | proteolysis |
| B | 0008233 | molecular_function | peptidase activity |
| B | 0008236 | molecular_function | serine-type peptidase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0030435 | biological_process | sporulation resulting in formation of a cellular spore |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004866 | molecular_function | endopeptidase inhibitor activity |
| C | 0004867 | molecular_function | serine-type endopeptidase inhibitor activity |
| C | 0015066 | molecular_function | alpha-amylase inhibitor activity |
| C | 0030414 | molecular_function | peptidase inhibitor activity |
| D | 0004866 | molecular_function | endopeptidase inhibitor activity |
| D | 0004867 | molecular_function | serine-type endopeptidase inhibitor activity |
| D | 0015066 | molecular_function | alpha-amylase inhibitor activity |
| D | 0030414 | molecular_function | peptidase inhibitor activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA B 276 |
| Chain | Residue |
| B | GLN2 |
| B | ASP41 |
| B | LEU75 |
| B | ASN77 |
| B | ILE79 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 276 |
| Chain | Residue |
| A | ILE79 |
| A | GLN2 |
| A | ASP41 |
| A | LEU75 |
| A | ASN77 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 278 |
| Chain | Residue |
| A | GLU54 |
| A | PRO55 |
| A | SER56 |
| A | LYS94 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 279 |
| Chain | Residue |
| A | ALA48 |
| A | SER49 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL D 183 |
| Chain | Residue |
| C | HIS42 |
| D | ARG106 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 280 |
| Chain | Residue |
| A | TRP6 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 277 |
| Chain | Residue |
| B | PRO5 |
| B | TRP6 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 281 |
| Chain | Residue |
| A | GLY80 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 183 |
| Chain | Residue |
| C | HIS29 |
| C | HIS171 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 278 |
| Chain | Residue |
| B | ARG10 |
| B | ASN183 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 280 |
| Chain | Residue |
| B | GLN12 |
| B | PRO14 |
| B | ALA15 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 184 |
| Chain | Residue |
| A | SER156 |
| C | LYS72 |
| C | SER93 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 282 |
| Chain | Residue |
| A | GLN137 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 283 |
| Chain | Residue |
| A | GLN206 |
| A | SER216 |
| D | GLN149 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 281 |
| Chain | Residue |
| B | GLN206 |
| B | SER216 |
| C | GLN149 |
| C | THR167 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 284 |
| Chain | Residue |
| A | ILE165 |
| A | ARG170 |
| A | ALA194 |
| A | GLY195 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 285 |
| Chain | Residue |
| A | ARG10 |
| A | ASN183 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 286 |
| Chain | Residue |
| A | ARG19 |
| B | SER259 |
| B | THR260 |
| B | ASN261 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 282 |
| Chain | Residue |
| B | ASN155 |
| B | GLY219 |
| B | SER221 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 185 |
| Chain | Residue |
| C | ARG106 |
| D | HIS42 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 186 |
| Chain | Residue |
| C | ASN19 |
| C | ARG61 |
| C | ARG85 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL D 185 |
| Chain | Residue |
| D | HIS39 |
| D | ARG41 |
| D | PRO44 |
| D | PHE46 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 287 |
| Chain | Residue |
| A | GLY211 |
| A | SER212 |
| site_id | CC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 283 |
| Chain | Residue |
| B | ASN204 |
| B | SER216 |
| C | GLN149 |
| site_id | CC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NA A 288 |
| Chain | Residue |
| A | ALA194 |
| A | LEU196 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA A 289 |
| Chain | Residue |
| A | ASN204 |
| A | SER216 |
| D | GLN149 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 284 |
| Chain | Residue |
| B | ALA169 |
| B | TYR171 |
| B | ALA174 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA A 290 |
| Chain | Residue |
| A | ALA169 |
| A | TYR171 |
| A | ALA174 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NA C 187 |
| Chain | Residue |
| C | ALA134 |
| C | HIS137 |
Functional Information from PROSITE/UniProt
| site_id | PS00136 |
| Number of Residues | 11 |
| Details | SUBTILASE_ASP Serine proteases, subtilase family, aspartic acid active site. VAVLDTGIst.H |
| Chain | Residue | Details |
| A | VAL28-HIS39 |
| site_id | PS00137 |
| Number of Residues | 11 |
| Details | SUBTILASE_HIS Serine proteases, subtilase family, histidine active site. HGThVAGtIAA |
| Chain | Residue | Details |
| A | HIS64-ALA74 |
| site_id | PS00138 |
| Number of Residues | 11 |
| Details | SUBTILASE_SER Serine proteases, subtilase family, serine active site. GTSmAtPhVAG |
| Chain | Residue | Details |
| A | GLY219-GLY229 |
| site_id | PS00283 |
| Number of Residues | 17 |
| Details | SOYBEAN_KUNITZ Soybean trypsin inhibitor (Kunitz) protease inhibitors family signature. VhDTDGHeLrADanYyV |
| Chain | Residue | Details |
| D | VAL6-VAL22 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 526 |
| Details | Domain: {"description":"Peptidase S8","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Site: {"description":"Reactive bond","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1sca |
| Chain | Residue | Details |
| A | SER221 | |
| A | HIS64 | |
| A | ASP32 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1sca |
| Chain | Residue | Details |
| B | SER221 | |
| B | HIS64 | |
| B | ASP32 |
