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4J54

Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-0519A

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 Residues19
DetailsBINDING SITE FOR RESIDUE G52 A 201
ChainResidue
AASP25
BGLY27
BALA28
BASP29
BASN30
BILE32
BGLY48
BGLY49
BILE50
BVAL82
BHOH1001
AGLY27
AALA28
AASP29
AASN30
AGLY48
AILE50
AVAL82
BASP25

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 202
ChainResidue
AASP35
AASN83

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 203
ChainResidue
BG52101

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 204
ChainResidue
AACT216

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 205
ChainResidue
ATHR12
AIOD206

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 206
ChainResidue
AIOD205

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 207
ChainResidue
AGLU21
AASN83

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IOD A 208
ChainResidue
AGLU21
AVAL82
AHOH340
BARG8

site_idAC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 209
ChainResidue
AGLU65

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 210
ChainResidue
ATHR4

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 211
ChainResidue
BARG8

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IOD A 212
ChainResidue
ALYS14
AGLY16
AGLY17
APRO63
AHOH344

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 214
ChainResidue
APRO44
AHOH338

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 215
ChainResidue
AGLN61
AHOH341

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 216
ChainResidue
APHE53
AARG57
AIOD204

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE G52 B 101
ChainResidue
AIOD203
BVAL56
BTHR91
BGLY94
BHOH1024

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 102
ChainResidue
BASP35
BGLY78

site_idBC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 103
ChainResidue
BGLU21

site_idCC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 106
ChainResidue
BALA67

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD B 107
ChainResidue
BTHR12
BHOH1041
BHOH1042

site_idCC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 108
ChainResidue
BMET46

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 109
ChainResidue
BPRO39
BGLY40

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADNTIF
ChainResidueDetails
AALA22-PHE33

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

219869

PDB entries from 2024-05-15

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