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2G27

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 Residues20
DetailsBINDING SITE FOR RESIDUE 4LG B 803
ChainResidue
BTHR13
BMET109
BPRO113
BPHE114
BALA117
BPHE119
BASP120
BVAL122
BASP219
BGLY221
BALA222
BGLN14
BSER223
BTYR15
BASP33
BSER36
BTRP40
BPRO42
BHIS56
BVAL106

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 4LG A 804
ChainResidue
ATHR13
AGLN14
AASP33
AGLY35
ATRP40
APRO42
AHIS56
AVAL83
AVAL106
AMET109
APHE114
AALA117
APHE119
AASP120
AGLY121
AVAL122
AASP219
AGLY221
AALA222
ASER223

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VVFDTGSSNVWV
ChainResidueDetails
AVAL30-VAL41
AALA216-GLY227

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:20927107
ChainResidueDetails
AASP33
AASP219
BASP33
BASP219

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
ATHR34
AASP33
ATHR220
AASP219

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BTHR34
BASP33
BTHR220
BASP219

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP33
AASP219
ASER36

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP33
BASP219
BSER36

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP33
AALA222
AASP219
ASER36

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP33
BALA222
BASP219
BSER36

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP33
AASP219
ATYR78
ASER36

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP33
BASP219
BTYR78
BSER36

site_idCSA9
Number of Residues2
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
AASP33
AASP219

site_idCSA10
Number of Residues2
DetailsAnnotated By Reference To The Literature 1avf
ChainResidueDetails
BASP33
BASP219

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PDB entries from 2024-05-01

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