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6CDJ

HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand

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 Residues34
Detailsbinding site for residue GR8 A 201
ChainResidue
AARG8
APRO81
AVAL82
AILE84
AGOL204
AHOH302
AHOH320
AHOH350
AHOH388
AHOH392
BARG8
AASP25
BASP25
BGLY27
BALA28
BASP29
BASP30
BILE47
BGLY48
BGLY49
BILE50
BPRO81
AGLY27
BVAL82
BILE84
BHOH231
BHOH245
BHOH285
AALA28
AASP29
AASP30
AGLY48
AGLY49
AILE50

site_idAC2
Number of Residues6
Detailsbinding site for residue NA A 202
ChainResidue
AASP60
AHOH319
AHOH327
AHOH338
AHOH358
AHOH376

site_idAC3
Number of Residues4
Detailsbinding site for residue CL A 203
ChainResidue
ATHR74
AASN88
AHOH391
BARG41

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 204
ChainResidue
AGLY48
APHE53
AGR8201
AHOH309
AHOH364
BARG8

site_idAC5
Number of Residues1
Detailsbinding site for residue CL B 101
ChainResidue
BTRP6

site_idAC6
Number of Residues4
Detailsbinding site for residue CL B 102
ChainResidue
BTHR74
BASN88
BHOH233
BHOH296

site_idAC7
Number of Residues14
Detailsbinding site for residue ACT B 103
ChainResidue
AGLN18
AMET36
ASER37
BTHR12
BTHR12
BILE13
BLYS14
BGLU65
BGLU65
BILE66
BALA67
BGLY68
BGLY68
BHOH210

site_idAC8
Number of Residues7
Detailsbinding site for residue ACT B 104
ChainResidue
BPRO39
BARG41
BTYR59
BASP60
BHOH213
BHOH230
BHOH257

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

227344

PDB entries from 2024-11-13

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