eF-site ID 3em6-A
PDB Code 3em6
Chain A

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Title Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir
Classification HYDROLASE
Compound Protease
Source Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) (HIV-1) (POL_HV1A2)
Sequence A:  PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPG
KWKPKMIGGLGGFIKVRQYDQIPVEICGHKVIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
Description


Functional site

1) chain A
residue 25
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

2) chain A
residue 27
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

3) chain A
residue 28
type
sequence A
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

4) chain A
residue 29
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

5) chain A
residue 30
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

6) chain A
residue 48
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

7) chain A
residue 49
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

8) chain A
residue 50
type
sequence L
description BINDING SITE FOR RESIDUE 017 A 200
source : AC1

9) chain A
residue 7
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 502
source : AC2

10) chain A
residue 8
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 502
source : AC2

11) chain A
residue 36
type
sequence M
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC3

12) chain A
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC3

13) chain A
residue 20
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC4

14) chain A
residue 21
type
sequence E
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC4

15) chain A
residue 83
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC4

16) chain A
residue 14
type
sequence R
description BINDING SITE FOR RESIDUE ACT A 606
source : AC5

17) chain A
residue 16
type
sequence G
description BINDING SITE FOR RESIDUE ACT A 606
source : AC5

18) chain A
residue 17
type
sequence G
description BINDING SITE FOR RESIDUE ACT A 606
source : AC5

19) chain A
residue 69
type
sequence H
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC6

20) chain A
residue 70
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC6

21) chain A
residue 87
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 506
source : AC7

22) chain A
residue 25
type ACT_SITE
sequence D
description For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
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

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


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