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3EL5

Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease

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 Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 100
ChainResidue
APRO1
AARG57
AHIS69
AHOH203
AHOH215
BHOH171

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 101
ChainResidue
ALYS7
AARG8
AHOH144

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 102
ChainResidue
AHOH132
AHOH463
BARG14
BILE15
BGLY16
BGLY17
BHOH116
BHOH129

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 103
ChainResidue
AGLU21
AALA22
ATHR82
AASN83
AACT104
AHOH200

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 104
ChainResidue
ALYS20
AGLU21
AACT103
AHOH247
AHOH254

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 105
ChainResidue
AMET36
AASN37
BPRO39
BGLY40
BHOH302

site_idAC7
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 1UN B 201
ChainResidue
AASP25
AGLY27
AASP30
AGLY48
AGLY49
AILE50
APRO81
ATHR82
BASP25
BGLY27
BALA28
BASP29
BASP30
BVAL32
BGLY49
BILE50
BTHR80
BPRO81
BHOH125
BHOH156

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 100
ChainResidue
AHOH286
BPRO1

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 101
ChainResidue
ALYS55
BGLN2
BARG14
BLYS70

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 102
ChainResidue
APRO39
AGLY40
BMET36
BASN37
BHOH205
BHOH317
BHOH318

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 103
ChainResidue
BGLU21
BARG41
BASN83
BHOH135
BHOH370

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 104
ChainResidue
BGLY73
BTHR74
BASN88
BHOH114
BHOH155
BHOH174
BHOH396

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
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP25
BASP25

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE99

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25
BTHR26

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25

221371

PDB entries from 2024-06-19

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