eF-site ID 1t3r-AB
PDB Code 1t3r
Chain A, B

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Title HIV protease wild-type in complex with TMC114 inhibitor
Classification HYDROLASE
Compound protease RETROPEPSIN
Source Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) (HIV-1) (POL_HV1A2)
Sequence A:  PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPG
KWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
B:  PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPG
KWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
Description


Functional site

1) chain A
residue 14
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

2) chain A
residue 16
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

3) chain A
residue 17
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

4) chain B
residue 14
type
sequence R
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

5) chain B
residue 16
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

6) chain B
residue 17
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 501
source : AC1

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

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

9) chain A
residue 68
type
sequence G
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC3

10) chain A
residue 69
type
sequence H
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC3

11) chain A
residue 70
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC3

12) chain B
residue 1
type
sequence P
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC3

13) chain B
residue 55
type
sequence K
description BINDING SITE FOR RESIDUE PO4 B 503
source : AC3

14) chain A
residue 36
type
sequence M
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC4

15) chain A
residue 37
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC4

16) chain B
residue 39
type
sequence P
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC4

17) chain B
residue 40
type
sequence G
description BINDING SITE FOR RESIDUE PO4 A 504
source : AC4

18) chain A
residue 20
type
sequence K
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC5

19) chain A
residue 21
type
sequence E
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC5

20) chain A
residue 83
type
sequence N
description BINDING SITE FOR RESIDUE PO4 A 505
source : AC5

21) chain A
residue 25
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

22) chain A
residue 27
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

23) chain A
residue 28
type
sequence A
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

24) chain A
residue 29
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

25) chain A
residue 30
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

26) chain A
residue 48
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

27) chain A
residue 49
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

28) chain A
residue 50
type
sequence I
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

29) chain B
residue 25
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

30) chain B
residue 27
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

31) chain B
residue 28
type
sequence A
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

32) chain B
residue 30
type
sequence D
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

33) chain B
residue 32
type
sequence V
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

34) chain B
residue 48
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

35) chain B
residue 49
type
sequence G
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

36) chain B
residue 82
type
sequence V
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

37) chain B
residue 84
type
sequence I
description BINDING SITE FOR RESIDUE 017 A 1200
source : AC6

38) chain A
residue 78
type SITE
sequence G
description Cleavage; by viral protease => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

39) chain B
residue 78
type SITE
sequence G
description Cleavage; by viral protease => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

40) chain A
residue 78
type MOD_RES
sequence G
description Phosphotyrosine; by host => ECO:0000250
source Swiss-Prot : SWS_FT_FI2

41) chain B
residue 78
type MOD_RES
sequence G
description Phosphotyrosine; by host => ECO:0000250
source Swiss-Prot : SWS_FT_FI2

42) 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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