eF-site ID 6b3f-AB
PDB Code 6b3f
Chain A, B

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Title Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Classification VIRAL PROTEIN/INHIBITOR
Compound HIV-1 Protease
Source Human immunodeficiency virus type 1 group M subtype B (isolate BH5) (HIV-1) (POL_HV1B5)
Sequence A:  PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPG
RWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
B:  PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPG
RWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF
Description


Functional site

1) chain A
residue 74
type
sequence T
description binding site for residue CL A 101
source : AC1

2) chain A
residue 88
type
sequence N
description binding site for residue CL A 101
source : AC1

3) chain B
residue 41
type
sequence R
description binding site for residue CL A 101
source : AC1

4) chain A
residue 8
type
sequence R
description binding site for residue CKV B 101
source : AC2

5) chain A
residue 25
type
sequence D
description binding site for residue CKV B 101
source : AC2

6) chain A
residue 27
type
sequence G
description binding site for residue CKV B 101
source : AC2

7) chain A
residue 48
type
sequence G
description binding site for residue CKV B 101
source : AC2

8) chain A
residue 49
type
sequence G
description binding site for residue CKV B 101
source : AC2

9) chain A
residue 50
type
sequence I
description binding site for residue CKV B 101
source : AC2

10) chain A
residue 82
type
sequence V
description binding site for residue CKV B 101
source : AC2

11) chain A
residue 84
type
sequence I
description binding site for residue CKV B 101
source : AC2

12) chain B
residue 23
type
sequence L
description binding site for residue CKV B 101
source : AC2

13) chain B
residue 25
type
sequence D
description binding site for residue CKV B 101
source : AC2

14) chain B
residue 27
type
sequence G
description binding site for residue CKV B 101
source : AC2

15) chain B
residue 28
type
sequence A
description binding site for residue CKV B 101
source : AC2

16) chain B
residue 29
type
sequence D
description binding site for residue CKV B 101
source : AC2

17) chain B
residue 30
type
sequence D
description binding site for residue CKV B 101
source : AC2

18) chain B
residue 48
type
sequence G
description binding site for residue CKV B 101
source : AC2

19) chain B
residue 49
type
sequence G
description binding site for residue CKV B 101
source : AC2

20) chain B
residue 50
type
sequence I
description binding site for residue CKV B 101
source : AC2

21) chain B
residue 84
type
sequence I
description binding site for residue CKV B 101
source : AC2

22) chain B
residue 74
type
sequence T
description binding site for residue CL B 102
source : AC3

23) chain B
residue 88
type
sequence N
description binding site for residue CL B 102
source : AC3

24) chain B
residue 6
type
sequence W
description binding site for residue CL B 103
source : AC4

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

26) 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

27) chain B
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

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

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


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