Binding Site Information of Target
Target General Information | Top | ||||
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Target ID | T86385 | Target Info | |||
Target Name | Cathepsin G (CTSG) | ||||
Synonyms | CG | ||||
Target Type | Clinical trial Target | ||||
Gene Name | CTSG | ||||
Biochemical Class | Peptidase | ||||
UniProt ID |
Drug Binding Sites of Target | Top | |||||
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Ligand Name: Bis-Napthyl Beta-Ketophosphonic Acid | Ligand Info | |||||
Structure Description | Cathepsin-G | PDB:1KYN | ||||
Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [1] |
PDB Sequence |
IIGGRESRPH
25 SRPYMAYLQI35 QSPAGQSRCG43 GFLVREDFVL53 TAAHCWGSNI64 NVTLGAHNIQ 74 RRENTQQHIT84 ARRAIRHPQY94 NQRTIQNDIM104 LLQLSRRVRR114 NRNVNPVALP 124 RAQEGLRPGT134 LCTVAGWGRV144 SMRRGTDTLR156 EVQLRVQRDR166 QCLRIFGSYD 176 PRRQICVGDR185 RERKAAFKGD194 SGGPLLCNNV204 AHGIVSYGKS218 SGVPPEVFTR 230 VSSFLPWIRT240 TMR
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SER40
4.449
ARG41
4.802
CYS42
3.509
HIS57
3.284
CYS58
4.004
TYR94
3.832
ILE99
4.804
ASP102
4.841
ALA190
3.438
PHE191
3.524
LYS192
3.672
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Ligand Name: N-(3-Carboxypropanoyl)-L-Valyl-N-{(1r)-1-[(S)-Hydroxy(Oxido)phosphanyl]-2-Phenylethyl}-L-Prolinamide | Ligand Info | |||||
Structure Description | Human cathepsin G | PDB:1CGH | ||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
PDB Sequence |
IIGGRESRPH
25 SRPYMAYLQI35 QSPAGQSRCG43 GFLVREDFVL53 TAAHCWGSNI64 NVTLGAHNIQ 74 RRENTQQHIT84 ARRAIRHPQY94 NQRTIQNDIM104 LLQLSRRVRR114 NRNVNPVALP 124 RAQEGLRPGT134 LCTVAGWGRV144 SMRRGTDTLR156 EVQLRVQRDR166 QCLRIFGSYD 176 PRRQICVGDR185 RERKAAFKGD194 SGGPLLCNNV204 AHGIVSYGKS218 SGVPPEVFTR 230 VSSFLPWIRT240 TMRS
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Ligand Name: 2-[3-({Methyl[1-(2-naphthoyl)piperidin-4-YL]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid | Ligand Info | |||||
Structure Description | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | PDB:1T32 | ||||
Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
PDB Sequence |
IIGGRESRPH
25 SRPYMAYLQI35 QSPAGQSRCG43 GFLVREDFVL53 TAAHCWGSNI64 NVTLGAHNIQ 74 RRENTQQHIT84 ARRAIRHPQY94 NQRTIQNDIM104 LLQLSRRVRR114 NRNVNPVALP 124 RAQEGLRPGT134 LCTVAGWGRV144 SMRRGTDTLR156 EVQLRVQRDR166 QCLRIFGSYD 176 PRRQICVGDR185 RERKAAFKGD194 SGGPLLCNNV204 AHGIVSYGKS218 SGVPPEVFTR 230 VSSFLPWIRT240 TMRS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OHH or .OHH2 or .OHH3 or :3OHH;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:99 or .A:102 or .A:171 or .A:172 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG41
4.460
CYS42
3.925
HIS57
2.874
CYS58
4.572
ILE99
3.643
ASP102
4.688
ILE171
3.774
PHE172
3.555
ALA190
3.282
PHE191
3.720
LYS192
3.089
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Ligand Name: N-(3-Carboxypropanoyl)-L-Valyl-N-[(1r)-5-Amino-1-Phosphonopentyl]-L-Prolinamide | Ligand Info | |||||
Structure Description | HUMAN CATHEPSIN G | PDB:1AU8 | ||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
PDB Sequence |
IIGGRESRPH
25 SRPYMAYLQI35 QSPAGQSRCG43 GFLVREDFVL53 TAAHCWGSNI64 NVTLGAHNIQ 74 RRENTQQHIT84 ARRAIRHPQY94 NQRTIQNDIM104 LLQLSRRVRR114 NRNVNPVALP 124 RAQEGLRPGT134 LCTVAGWGRV144 SMRRGTDTLR156 EVQLRVQRDR166 QCLRIFGSYD 176 PRRQICVGDR185 RERKAAFKGD194 SGGPLLCNNV204 AHGIVSYGKS218 SGVPPEVFTR 230 VSSFLPWIRT240 TMRS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0H8 or .0H82 or .0H83 or :30H8;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:99 or .A:172 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design. J Am Chem Soc. 2002 Apr 17;124(15):3810-1. | ||||
REF 2 | The 1.8 A crystal structure of human cathepsin G in complex with Suc-Val-Pro-PheP-(OPh)2: a Janus-faced proteinase with two opposite specificities. EMBO J. 1996 Oct 15;15(20):5481-91. | ||||
REF 3 | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J Biol Chem. 2005 May 6;280(18):18001-7. | ||||
REF 4 | HUMAN CATHEPSIN G |
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