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5WLO

a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands

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
AHOH604
AHOH634
AHOH642
AHOH646
AHOH673

site_idAC2
Number of Residues4
Detailsbinding site for residue CL A 502
ChainResidue
BARG41
ATHR74
AASN88
AHOH687

site_idAC3
Number of Residues4
Detailsbinding site for residue CL A 503
ChainResidue
AGLN18
AMET36
ASER37
AHOH679

site_idAC4
Number of Residues28
Detailsbinding site for residue GR7 B 201
ChainResidue
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AILE84
AHOH629
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BILE84
BHOH304
BHOH305
BHOH308

site_idAC5
Number of Residues1
Detailsbinding site for residue CL B 202
ChainResidue
BTRP6

site_idAC6
Number of Residues3
Detailsbinding site for residue CL B 203
ChainResidue
BTHR74
BASN88
BHOH332

site_idAC7
Number of Residues3
Detailsbinding site for residue CL B 204
ChainResidue
BGLN18
BMET36
BSER37

site_idAC8
Number of Residues5
Detailsbinding site for residue GOL B 205
ChainResidue
BLYS55
BVAL56
BARG57
BHOH333
BHOH357

site_idAC9
Number of Residues5
Detailsbinding site for residue ACT B 206
ChainResidue
BPRO39
BARG41
BTYR59
BASP60
BHOH302

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

223790

PDB entries from 2024-08-14

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