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6B3H

Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide

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 Residues14
Detailsbinding site for residue CN4 A 101
ChainResidue
ATRP6
AHOH217
AHOH221
BARG8
BVAL82
BCN4101
AGLY27
AASP29
AASP30
AVAL32
ALYS45
AILE47
AGLY48
ALEU76

site_idAC2
Number of Residues3
Detailsbinding site for residue CL A 102
ChainResidue
ATHR74
AASN88
BARG41

site_idAC3
Number of Residues20
Detailsbinding site for residue CN4 B 101
ChainResidue
AARG8
ALEU23
AASP25
AGLY27
AGLY49
AILE50
AVAL82
ACN4101
AHOH220
BASP25
BGLY27
BALA28
BASP29
BASP30
BVAL32
BGLY48
BGLY49
BILE50
BILE84
BHOH231

site_idAC4
Number of Residues4
Detailsbinding site for residue CL B 102
ChainResidue
AHOH262
BTHR74
BASN88
BHOH226

site_idAC5
Number of Residues1
Detailsbinding site for residue CL B 103
ChainResidue
BTRP6

site_idAC6
Number of Residues3
Detailsbinding site for residue CL B 104
ChainResidue
BVAL11
BTHR12
BCYS67

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 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

227344

PDB entries from 2024-11-13

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