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2A1E

High resolution structure of HIV-1 PR with TS-126

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 Residues7
DetailsBINDING SITE FOR RESIDUE NA B 305
ChainResidue
AGLN18
ALYS20
AGLU35
AMET36
BLYS14
BGLU65
BGOL304

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 307
ChainResidue
BTRP6

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 308
ChainResidue
ATRP6
BARG87
BTHR91
BHOH436
BHOH471
BHOH505
ALEU5

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 309
ChainResidue
BGLY40
BHOH442

site_idAC5
Number of Residues25
DetailsBINDING SITE FOR RESIDUE IPF B 400
ChainResidue
ATRP6
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AILE47
AGLY48
AILE50
AVAL82
BARG8
BLEU23
BASP25
BGLY27
BALA28
BASP29
BASP30
BILE47
BGLY48
BGLY49
BILE50
BPRO81
BILE84
BHOH416

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 301
ChainResidue
AARG87
AASN88
ATHR91
BLEU5
BTRP6
BARG41

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 302
ChainResidue
AGLY73
ATHR74
AASN88
AHOH372
BARG41
BHOH520

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 303
ChainResidue
AGLN18
ALEU19
ALYS20
BGLU65
BGLY68
BLYS70

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS B 306
ChainResidue
BGLU35
BLYS55
BARG57
BVAL77
BHOH479

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 310
ChainResidue
ATHR12
AGLU65
AILE66
AALA67
AGLY68
AHOH344

site_idBC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL B 304
ChainResidue
AGLN18
AMET36
ASER37
BTHR12
BILE13
BLYS14
BGLU65
BILE66
BALA67
BGLY68
BNA305

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI
ChainResidueDetails
AALA22-ILE33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
AILE64
BILE64

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphotyrosine; by host => ECO:0000250
ChainResidueDetails
AILE64
BILE64

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26
BASP25
BTHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
BASP25

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PDB entries from 2024-07-10

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