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2QHY

Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 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 Residues7
DetailsBINDING SITE FOR RESIDUE PO4 B 501
ChainResidue
AARG14
AGLY16
AGLY17
AHOH532
BGLY16
BHOH520
BHOH574

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AHOH531
AHOH583
ALYS7
AARG8

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
AGLY68
AHIS69
ALYS70
BPRO1
BHOH552

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 504
ChainResidue
AMET36
AASN37
AHOH551
BPRO39
BGLY40
BHOH547

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 505
ChainResidue
ATHR91
AHOH597
BGLY52

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 506
ChainResidue
AGLY49
AGLY52
AHOH589
BTHR91
BGLN92

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 508
ChainResidue
ALYS20
AGLU21
AASN83
AHOH511
AHOH550

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 509
ChainResidue
ATHR12
ATRP42
ACYS67
AHOH579
AHOH591
AHOH595
AHOH598

site_idAC9
Number of Residues22
DetailsBINDING SITE FOR RESIDUE MZ1 A 200
ChainResidue
AASP25
AGLY27
AALA28
AASP29
AGLY48
AGLY49
AILE50
ATHR80
AILE84
AHOH526
BARG8
BASP25
BGLY27
BALA28
BASP30
BILE47
BGLY48
BGLY49
BILE50
BPRO81
BILE84
BHOH542

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 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

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25
BTHR26

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25

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PDB entries from 2024-07-24

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