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2G20

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE L1A A 885
ChainResidue
AGLN14
AALA117
APHE119
AASP221
AGLY223
AALA224
ASER225
ATYR226
ASER228
AHIS296
AMET298
AASP33
AILE300
AALA309
AHOH892
AHOH917
AGLY35
ATYR55
ATYR78
ASER79
ATHR80
APRO113
ALEU116

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE L1A B 886
ChainResidue
BGLN14
BASP33
BGLY35
BTYR78
BSER79
BTHR80
BPRO113
BLEU116
BALA117
BPHE119
BASP221
BGLY223
BALA224
BSER225
BTYR226
BSER228
BMET298
BALA309
BHOH922
BHOH927

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VVFDTGSSNVWV
ChainResidueDetails
AVAL30-VAL41
AALA218-GLY229

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:20927107
ChainResidueDetails
AASP33
AASP221
BASP33
BASP221

site_idSWS_FT_FI2
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
ChainResidueDetails
AASN70
BASN70

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP221
ATHR34
AASP33
ATHR222

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP221
BTHR34
BASP33
BTHR222

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP221
AASP33
ASER36

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP221
BASP33
BSER36

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP221
AASP33
ATYR78
ASER36

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP221
BASP33
BTYR78
BSER36

site_idCSA7
Number of Residues2
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP221
AASP33

site_idCSA8
Number of Residues2
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP221
BASP33

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PDB entries from 2024-10-30

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