Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3EM4

Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
U0004190molecular_functionaspartic-type endopeptidase activity
U0006508biological_processproteolysis
V0004190molecular_functionaspartic-type endopeptidase activity
V0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE DR7 A 100
ChainResidue
AARG8
AHOH530
BARG8
BASP25
BGLY27
BALA28
BASP29
BGLY48
BGLY49
BLEU50
BVAL82
AASP25
BHOH506
BHOH535
BHOH545
AGLY27
AALA28
AASP29
AGLY48
AGLY49
AVAL82
AHOH521

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
ALYS7
AARG8
AHOH528
BARG87

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 501
ChainResidue
AGLY16
APRO63
BARG14
BGLY16
BHOH518

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 B 504
ChainResidue
AARG87
BLYS7
BARG8

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 505
ChainResidue
BGLY73
BTHR74
BASN88
BHOH539

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 U 503
ChainResidue
ULYS7
UARG8

site_idAC7
Number of Residues20
DetailsBINDING SITE FOR RESIDUE DR7 V 100
ChainResidue
UARG8
UASP25
UGLY27
UALA28
UASP29
UGLY48
UGLY49
ULEU50
UILE84
UHOH531
VARG8
VASP25
VGLY27
VALA28
VASP29
VGLY48
VGLY49
VLEU50
VHOH513
VHOH519

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 V 506
ChainResidue
VGLY73
VTHR74
VASN88

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 V 507
ChainResidue
UARG87
VLYS7
VARG8

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 Residues4
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP25
BASP25
UASP25
VASP25

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE99
UPHE99
VPHE99

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 Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
UASP25
UTHR26

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
VASP25
VTHR26

site_idCSA5
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP25

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
UASP25

site_idCSA8
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
VASP25

223166

PDB entries from 2024-07-31

PDB statisticsPDBj update infoContact PDBjnumon