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1BIL

CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS

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 Residues18
DetailsBINDING SITE FOR RESIDUE 0IU A 391
ChainResidue
AASP32
AALA218
ASER219
ATYR220
ASER222
AHIS287
AMET289
AALA300
AHOH803
AHOH879
AGLY34
ATYR75
ASER76
ATHR77
APRO111
APHE117
AASP215
AGLY217

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 0IU B 391
ChainResidue
BASP32
BGLY34
BTYR75
BSER76
BTHR77
BPRO111
BPHE117
BASP215
BGLY217
BALA218
BSER219
BTYR220
BSER222
BILE291
BHOH887

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VVFDTGSSNVWV
ChainResidueDetails
AVAL29-VAL40
AALA212-GLY223

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:20927107
ChainResidueDetails
AASP32
AASP215
BASP32
BASP215

site_idSWS_FT_FI2
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
ChainResidueDetails
AASN-1
AASN67
BASN-1
BASN67

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
ASER35
AALA218
AASP32

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BALA218
BASP32
BTHR33

site_idCSA11
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
AASP32

site_idCSA12
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BASP32

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BSER35
BALA218
BASP32

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
ATHR216
AASP32
ATHR33

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BTHR216
BASP32
BTHR33

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
ASER35
AASP32

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BSER35
BASP32

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
ATYR75
ASER35
AASP32

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP215
BTYR75
BSER35
BASP32

site_idCSA9
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP215
AALA218
AASP32
ATHR33

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PDB entries from 2024-07-17

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