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1T3R

HIV protease wild-type in complex with TMC114 inhibitor

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 Residues10
DetailsBINDING SITE FOR RESIDUE PO4 B 501
ChainResidue
AARG14
BHOH617
AGLY16
AGLY17
AHOH1242
BARG14
BGLY16
BGLY17
BHOH515
BHOH525

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
ALYS7
AARG8
AHOH1225

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
AGLY68
AHIS69
ALYS70
AHOH1210
AHOH1249
BPRO1
BLYS55

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 504
ChainResidue
AMET36
AASN37
BPRO39
BGLY40
BHOH621

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 505
ChainResidue
ALYS20
AGLU21
AASN83
AHOH1219
AHOH1226
BHOH616

site_idAC6
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 017 A 1200
ChainResidue
AASP25
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
AILE50
AHOH1203
AHOH1311
BASP25
BGLY27
BALA28
BASP30
BVAL32
BGLY48
BGLY49
BVAL82
BILE84

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
ChainResidueDetails
AALA22-LEU33

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues138
DetailsDomain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26
BASP25
BTHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
BASP25

249697

PDB entries from 2026-02-25

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