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3EL0

Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)

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 Residues12
DetailsBINDING SITE FOR RESIDUE 1UN A 201
ChainResidue
AASP25
BILE47
BVAL48
BILE50
AGLY27
AALA28
AASP29
AASP30
AILE84
AHOH546
BASP25
BGLY27

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PO4 A 501
ChainResidue
AARG8

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AGLN58

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 505
ChainResidue
AGLY94
ATHR96
AHOH522

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 506
ChainResidue
AARG14
AGLY16
AHOH528
AHOH574
BARG14
BPRO63
BHOH530
BHOH541

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 508
ChainResidue
ALYS7
AARG8

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 504
ChainResidue
BGLU21
BASN83

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 507
ChainResidue
BGLY73
BTHR74
BASN88
BGLN92
BHOH532

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

223166

PDB entries from 2024-07-31

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