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3VFB

Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031

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 Residues21
DetailsBINDING SITE FOR RESIDUE 031 A 201
ChainResidue
ALEU23
AILE84
AHOH1001
AHOH1060
BASP25
BGLY27
BALA28
BASP30
BVAL32
BGLY48
BGLY49
AASP25
BVAL82
BILE84
AGLY27
AALA28
AASP29
AGLY48
AGLY49
AILE50
AVAL82

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 202
ChainResidue
ATRP6
AGOL205

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 203
ChainResidue
ATHR12
AGLU65
AALA67
AGLY68
BGLN18
BMET36
BSER37

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 204
ChainResidue
ALYS55
AVAL56
AARG57

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 205
ChainResidue
ATHR4
ATRP6
APRO44
ALYS55
ACL202
AHOH1034
AHOH1075
AHOH1084

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 501
ChainResidue
BASP60
BHOH618
BHOH634
BHOH640
BHOH641

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BILE47
BGLY48

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

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PDB entries from 2024-07-24

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