eF-site ID 4q1w-A
PDB Code 4q1w
Chain A

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Title Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance
Classification hydrolase/hydrolase inhibitor
Compound ASPARTYL PROTEASE
Source (V5Y949_9HIV1)
Sequence A:  PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPG
KWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPT
PVNIIGRNLMTQIGCTLNF
Description


Functional site

1) chain A
residue 14
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 101
source : AC1

2) chain A
residue 16
type
sequence G
description BINDING SITE FOR RESIDUE PO4 A 101
source : AC1

3) chain A
residue 17
type
sequence G
description BINDING SITE FOR RESIDUE PO4 A 101
source : AC1

4) chain A
residue 20
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 102
source : AC2

5) chain A
residue 21
type
sequence E
description BINDING SITE FOR RESIDUE PO4 A 102
source : AC2

6) chain A
residue 36
type
sequence M
description BINDING SITE FOR RESIDUE PO4 A 103
source : AC3

7) chain A
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 103
source : AC3

8) chain A
residue 25
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

9) chain A
residue 27
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

10) chain A
residue 28
type
sequence A
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

11) chain A
residue 29
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

12) chain A
residue 30
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

13) chain A
residue 48
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

14) chain A
residue 49
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

15) chain A
residue 50
type
sequence I
description BINDING SITE FOR RESIDUE 017 A 104
source : AC4

16) chain A
residue 87
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 101
source : AC5

17) chain A
residue 49
type
sequence G
description BINDING SITE FOR RESIDUE ACT B 102
source : AC6

18) chain A
residue 22-33
type prosite
sequence ALLDTGADDTVL
description ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
source prosite : PS00141

19) chain A
residue 25
type catalytic
sequence D
description 175
source MCSA : MCSA1

20) chain A
residue 26
type catalytic
sequence T
description 175
source MCSA : MCSA1

21) chain A
residue 27
type catalytic
sequence G
description 175
source MCSA : MCSA1

22) chain A
residue 25
type ACT_SITE
sequence D
description For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094, ECO:0000305|PubMed:33542150
source Swiss-Prot : SWS_FT_FI1

23) chain A
residue 99
type SITE
sequence F
description Cleavage; by viral protease => ECO:0000250
source Swiss-Prot : SWS_FT_FI2


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