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1NH0

1.03 A structure of HIV-1 protease: inhibitor binding inside and outside the active site

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 Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 6001
ChainResidue
ATRP42
APRO44
AARG57
AHOH6087
BGLU34

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 6002
ChainResidue
BHOH6070
BHOH6106
AHOH6014
BGLN2
BARG41
BASN98

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME A 5001
ChainResidue
AVAL11
ATHR12
ACYS67
BGLN7

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE BME B 5002
ChainResidue
BTHR12
BCYS67
BHOH6105

site_idAC5
Number of Residues30
DetailsBINDING SITE FOR CHAIN I OF PEPTIDOMIMETIC INHIBITOR KI2-PHE-GLU-GLU-NH2
ChainResidue
AASP25
AGLY27
AALA28
AASP29
AASP30
AILE47
AGLY48
AGLY49
AILE50
AVAL82
AILE84
AHOH6010
AHOH6015
BARG8
BLEU23
BASP25
BGLY27
BALA28
BASP30
BVAL32
BILE47
BGLY48
BGLY49
BILE50
BVAL82
BILE84
IHOH6
IHOH7
IHOH8
IHOH10

site_idAC6
Number of Residues29
DetailsBINDING SITE FOR CHAIN J OF PEPTIDOMIMETIC INHIBITOR KI2-PHE-GLU-GLU-NH2
ChainResidue
ATHR4
ATRP6
APRO39
AGLY40
AARG41
AHOH6064
BLYS14
BPRO44
BLYS45
BLYS55
BVAL56
BARG57
BCYS67
BGLY68
BGLN92
BILE93
BGLY94
BHOH6030
BHOH6034
BHOH6052
BHOH6079
BHOH6085
BHOH6115
JHOH8
JHOH22
JHOH93
JHOH152
JHOH177
JHOH225

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
ChainResidueDetails
AALA22-LEU33

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

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PDB entries from 2024-06-12

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