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3NXE

X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE 2NC A 204
ChainResidue
AARG8
AARG112
AASP129
AGLY131
AALA132
AASP133
AASP134
AGLY152
AGLY153
AOIL154
AVAL186
AASP25
AHOH301
AHOH304
AHOH322
AHOH379
AHOH399
AGLY27
AALA28
AASP29
AASP30
AILE47
AGLY48
AVAL82

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 501
ChainResidue
AGLY177
ATHR178
AASN192
AGLN196
AHOH401
ASO4504

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 502
ChainResidue
AARG14
AARG118
AGLY120
AGLY121
AHOH329
AHOH357
AHOH391

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 503
ChainResidue
ALYS149
ANLE150
AHOH310
AHOH386

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 504
ChainResidue
ATRP6
AARG191
ATHR195
AHOH371
ASO4501

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVI
ChainResidueDetails
AALA22-ILE33
AALA126-ILE137

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PDB entries from 2024-07-17

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