1THE
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE 0E6 A 901 |
| Chain | Residue |
| A | GLN23 |
| A | GLY198 |
| A | HIS199 |
| A | GLU245 |
| A | HOH620 |
| A | HOH623 |
| A | HOH733 |
| A | HOH770 |
| B | THR175 |
| B | GLU245 |
| A | GLY27 |
| A | SER28 |
| A | CYS29 |
| A | TRP30 |
| A | ASN72 |
| A | GLY73 |
| A | GLY74 |
| A | TYR75 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 0E6 B 911 |
| Chain | Residue |
| A | THR175 |
| A | GLU245 |
| A | HOH613 |
| B | GLN23 |
| B | GLY27 |
| B | SER28 |
| B | CYS29 |
| B | TRP30 |
| B | GLY73 |
| B | GLY74 |
| B | TYR75 |
| B | VAL176 |
| B | GLY198 |
| B | HIS199 |
| B | GLU245 |
| B | HOH735 |
| site_id | ACT |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RAT CATHEPSIN B, CHAIN A |
| Chain | Residue |
| A | CYS29 |
| A | HIS199 |
| A | ASN219 |
| site_id | ACX |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RAT CATHEPSIN B, CHAIN B |
| Chain | Residue |
| B | CYS29 |
| B | HIS199 |
| B | ASN219 |
Functional Information from PROSITE/UniProt
| site_id | PS00139 |
| Number of Residues | 12 |
| Details | THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGsCGSCWAfGA |
| Chain | Residue | Details |
| A | GLN23-ALA34 |
| site_id | PS00435 |
| Number of Residues | 11 |
| Details | PEROXIDASE_1 Peroxidases proximal heme-ligand signature. EAGDVMGGHAI |
| Chain | Residue | Details |
| A | GLU191-ILE201 |
| site_id | PS00639 |
| Number of Residues | 11 |
| Details | THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. GGHAIRILGWG |
| Chain | Residue | Details |
| A | GLY197-GLY207 |
| site_id | PS00640 |
| Number of Residues | 20 |
| Details | THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLvANSWnadWGdnGFFkI |
| Chain | Residue | Details |
| A | TYR214-ILE233 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10088","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7890671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8740363","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10089","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7890671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8740363","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10090","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7890671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8740363","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P10605","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"6574504","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| A | HIS199 | |
| A | ASN219 | |
| A | CYS29 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| B | HIS199 | |
| B | ASN219 | |
| B | CYS29 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| A | HIS199 | |
| A | GLN23 | |
| A | CYS29 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| B | HIS199 | |
| B | GLN23 | |
| B | CYS29 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| A | HIS199 | |
| A | ASN219 | |
| A | GLN23 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1pad |
| Chain | Residue | Details |
| B | HIS199 | |
| B | ASN219 | |
| B | GLN23 |
