Structure for peptidase C01.034: cathepsin S

Summary Gene structure Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

 

PDB Organism Resolution Comment
1GLO Homo sapiens 2.20 Å Cys25Ser mutant
Catalytic residues are shown in ball-and-stick representation: Cys139 (engineered to be serine) in yellow, His278 in purple and Asn298 in pink.
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TERTIARY STRUCTURE DATA
Comment Resolution PDB PDBe SCOP CATH PDBSum Proteopedia Reference
Homo sapiens
theoretical model 0.00 Å 1BXF 1BXF 1BXF 1BXF 1BXF 1BXF
Cys25Ser mutant 2.20 Å 1GLO 1GLO 1GLO 1GLO 1GLO 1GLO Turkenburg et al., 2002
complex with dipeptide nitrile inhibitor BLN 1.90 Å 1MS6 1MS6 1MS6 1MS6 1MS6 1MS6 Ward et al., 2002
complex with inhibitor C1P 2.00 Å 1NPZ 1NPZ 1NPZ 1NPZ 1NPZ 1NPZ Pauly et al., 2003
complex with inhibitor C4P 1.80 Å 1NQC 1NQC 1NQC 1NQC 1NQC 1NQC Pauly et al., 2003
precursor Cys25Ala mutant 2.10 Å 2C0Y 2C0Y 2C0Y 2C0Y 2C0Y 2C0Y Kaulmann et al., 2006
complex with non-covalent 2-(benzoxazol-2- ylamino)-acetamide 1.90 Å 2F1G 2F1G 2F1G 2F1G 2F1G 2F1G Tully et al., 2006
complex with CRA-27934, a nitrile inhibitor 1.90 Å 2FRA 2FRA 2FRA 2FRA 2FRA 2FRA
complex with inhibitor CRA-26871 1.60 Å 2FRQ 2FRQ 2FRQ 2FRQ 2FRQ 2FRQ
complex with inhibitor CRA-29728 1.70 Å 2FT2 2FT2 2FT2 2FT2 2FT2 2FT2
complex with inhibitor CRA-27566 1.95 Å 2FUD 2FUD 2FUD 2FUD 2FUD 2FUD
complex with irreversible inhibitor CRA-14013 2.20 Å 2FYE 2FYE 2FYE 2FYE 2FYE 2FYE
complex with vinyl sulfone inhibitor CRA-14009 2.50 Å 2G6D 2G6D 2G6D 2G6D 2G6D 2G6D
complex with inhibitor CRA-16981 2.00 Å 2G7Y 2G7Y 2G7Y 2G7Y 2G7Y 2G7Y
complex with N-[(1S)-1-1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl-1,2-dimethylpropyl]benzamide 1.50 Å 2H7J 2H7J 2H7J 2H7J 2H7J 2H7J Patterson et al., 2006
complex with N-[(1R)-1-[(benzylsulfonyl)methyl]-2-[(1S)-1-methyl-2-[4-(trifluoromethoxy)phenyl]aminoethyl]amino-2-oxoethyl]morpholine-4-carboxamide 1.80 Å 2HH5 2HH5 2HH5 2HH5 2HH5 2HH5 Tully et al., 2006
complex with non covalent arylaminoethyl amide. 1.55 Å 2HHN 2HHN 2HHN 2HHN 2HHN 2HHN Tully et al., 2006
complex with N-[(1S)-1-1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl-1,2-dimethylpropyl]benzamide 1.90 Å 2HXZ 2HXZ 2HXZ 2HXZ 2HXZ 2HXZ Patterson et al., 2006
complex with a novel 2- arylphenoxyacetaldehyde inhibitor derived by the substrate activity screening (sas) method 1.60 Å 2OP3 2OP3 2OP3 2OP3 2OP3 2OP3 Inagaki et al., 2007
complex with compound 15 1.97 Å 2R9M 2R9M 2R9M 2R9M 2R9M 2R9M
complex with compound 26 2.00 Å 2R9N 2R9N 2R9N 2R9N 2R9N 2R9N
complex with compound 8 2.00 Å 2R9O 2R9O 2R9O 2R9O 2R9O 2R9O
complex with a pyrazole-based inhibitor with an arylalkynes as P1 binding element 2.18 Å 3IEJ 3IEJ 3IEJ 3IEJ 3IEJ 3IEJ
complex with 4-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile 1.60 Å 3N3G 3N3G 3N3G 3N3G 3N3G 3N3G
complex with 6-phenyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile 1.90 Å 3N4C 3N4C 3N4C 3N4C 3N4C 3N4C
complex with a covalent inhibitor with an aldehyde warhead 1.49 Å 3OVX 3OVX 3OVX 3OVX 3OVX 3OVX
complex with a non-covalent inhibitor 1.80 Å 4P6E 4P6E 4P6E 4P6E 4P6E 4P6E
complex with a non-covalent inhibitor. 1.58 Å 4P6G 4P6G 4P6G 4P6G 4P6G 4P6G
complex with bound ligand 2.78 Å 5QBU 5QBU 5QBU 5QBU 5QBU 5QBU
complex with bound ligand 1.80 Å 5QBV 5QBV 5QBV 5QBV 5QBV 5QBV
complex with bound ligand 3.01 Å 5QBW 5QBW 5QBW 5QBW 5QBW 5QBW
complex with bound ligand 2.10 Å 5QBX 5QBX 5QBX 5QBX 5QBX 5QBX
complex with bound ligand 2.25 Å 5QBY 5QBY 5QBY 5QBY 5QBY 5QBY
complex with bound ligand 2.80 Å 5QBZ 5QBZ 5QBZ 5QBZ 5QBZ 5QBZ
complex with bound ligand 1.90 Å 5QC0 5QC0 5QC0 5QC0 5QC0 5QC0
complex with bound ligand 2.08 Å 5QC1 5QC1 5QC1 5QC1 5QC1 5QC1
complex with bound ligand 2.26 Å 5QC2 5QC2 5QC2 5QC2 5QC2 5QC2
complex with bound ligand 2.00 Å 5QC3 5QC3 5QC3 5QC3 5QC3 5QC3
complex with bound ligand 2.00 Å 5QC4 5QC4 5QC4 5QC4 5QC4 5QC4
complex with bound ligand 2.40 Å 5QC5 5QC5 5QC5 5QC5 5QC5 5QC5
complex with bound ligand 2.10 Å 5QC6 5QC6 5QC6 5QC6 5QC6 5QC6
complex with bound ligand 1.90 Å 5QC7 5QC7 5QC7 5QC7 5QC7 5QC7
complex with bound ligand 1.74 Å 5QC8 5QC8 5QC8 5QC8 5QC8 5QC8
complex with bound ligand 2.00 Å 5QC9 5QC9 5QC9 5QC9 5QC9 5QC9
complex with bound ligand 2.29 Å 5QCA 5QCA 5QCA 5QCA 5QCA 5QCA
complex with bound ligand 2.20 Å 5QCB 5QCB 5QCB 5QCB 5QCB 5QCB
complex with bound ligand 1.80 Å 5QCC 5QCC 5QCC 5QCC 5QCC 5QCC
complex with bound ligand 2.78 Å 5QCE 5QCE 5QCE 5QCE 5QCE 5QCE
complex with bound ligand 2.10 Å 5QCF 5QCF 5QCF 5QCF 5QCF 5QCF
complex with bound ligand 2.70 Å 5QCG 5QCG 5QCG 5QCG 5QCG 5QCG
complex with bound ligand 2.20 Å 5QCH 5QCH 5QCH 5QCH 5QCH 5QCH
complex with bound ligand 2.18 Å 5QCI 5QCI 5QCI 5QCI 5QCI 5QCI
complex with bound ligand 2.00 Å 5QCJ 5QCJ 5QCJ 5QCJ 5QCJ 5QCJ
Mus musculus
theoretical model; precursor 0.00 Å 1M0H 1M0H 1M0H 1M0H 1M0H 1M0H
mature  peptidase 2.00 Å 4BPV 4BPV 4BPV 4BPV 4BPV 4BPV
mature  peptidase 1.70 Å 4BQV 4BQV 4BQV 4BQV 4BQV 4BQV
mature  peptidase 1.25 Å 4BS5 4BS5 4BS5 4BS5 4BS5 4BS5 Hilpert et al., 2013
mature  peptidase 1.20 Å 4BS6 4BS6 4BS6 4BS6 4BS6 4BS6
mature  peptidase 1.96 Å 4BSQ 4BSQ 4BSQ 4BSQ 4BSQ 4BSQ Hilpert et al., 2013
mature  peptidase 1.47 Å 4MZO 4MZO 4MZO 4MZO 4MZO 4MZO Hilpert et al., 2013
mature  peptidase 1.85 Å 4MZS 4MZS 4MZS 4MZS 4MZS 4MZS Hilpert et al., 2013