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4HDP

Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519

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 Residues27
DetailsBINDING SITE FOR RESIDUE G52 B 401
ChainResidue
AARG8
AVAL82
AILE84
AHOH208
AHOH293
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
AASP25
BGLY48
BGLY49
BVAL50
BPRO81
BVAL82
BILE84
BHOH1025
BHOH1067
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
AVAL50

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 402
ChainResidue
BASP60
BHOH1017
BHOH1018
BHOH1019
BHOH1021
BHOH1064

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 403
ChainResidue
AARG41
BTHR74
BASN88
BHOH1069

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 404
ChainResidue
BARG8
BHOH1097

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 405
ChainResidue
BTHR12
BHOH1082

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 101
ChainResidue
AASP60
AHOH231
AHOH246
AHOH266

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 102
ChainResidue
ATRP6

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 103
ChainResidue
ATHR74
AASN88
AHOH238

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 104
ChainResidue
ALYS7
AARG8

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI
ChainResidueDetails
BALA22-ILE33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues138
DetailsDomain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

242199

PDB entries from 2025-09-24

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