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3MXD

Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease

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 K53 A 200
ChainResidue
AASP25
AVAL82
AHOH107
AHOH117
BASP25
BGLY27
BALA28
BASP30
BGLY48
BGLY49
BILE50
AGLY27
BPRO81
BILE84
AALA28
AASP29
AASP30
AILE47
AGLY48
AGLY49
AILE50

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 A 501
ChainResidue
AARG14
AGLY16
AGLY17
BGLY16
BHOH102
BHOH132
BHOH165

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 502
ChainResidue
AGLY68
AHIS69
ALYS70
AHOH145
BPRO1
BHOH113

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
AMET36
AASN37
AHOH146
BPRO39
BGLY40
BHOH108

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 504
ChainResidue
ALYS7
AARG8
AHOH127
AHOH138

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 505
ChainResidue
ALYS20
AGLU21
AASN83
AHOH141

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

249697

PDB entries from 2026-02-25

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