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4DFG

Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A

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 NA A 501
ChainResidue
AASP60
AHOH626
AHOH627
AHOH628
AHOH629
AHOH643

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
BARG41
ATHR74
AASN88
AHOH632

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 503
ChainResidue
ALYS7
AARG8

site_idAC4
Number of Residues35
DetailsBINDING SITE FOR RESIDUE 0JV B 201
ChainResidue
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AILE84
AHOH652
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
BILE47
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BILE84
BHOH1001
BHOH1031
BHOH1073
BHOH1074
BHOH1076
BHOH1096
BHOH1098
BHOH1099
BHOH1101

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 202
ChainResidue
BASP60
BHOH1042
BHOH1043
BHOH1044
BHOH1045
BHOH1046

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 203
ChainResidue
BTHR74
BASN88
BHOH1008

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 204
ChainResidue
BTRP6

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 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

246704

PDB entries from 2025-12-24

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