eF-site ID 1cpi-A
PDB Code 1cpi
Chain A

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Title REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound HIV-1 PROTEASE
Source Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) (HIV-1) (1CPI)
Sequence A:  PQITLWQRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPG
KWKPKMIGGIGGFIKVRQYDQIPVEIXGHKAIGTVLVGPT
PVNIIGRNLLTQIGXTLNF
Description (1)  HIV-1 PROTEASE COMPLEXED WITH A CYCLIC PEPTIDE INHIBITOR, CYCLIC PEPTIDOMIMETIC INHIBITOR, METHYLENE GROUP


Functional site

1) chain A
residue 1
type
sequence P
description BINDING SITE FOR RESIDUE SO4 A 502
source : AC1

2) chain A
residue 69
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 502
source : AC1

3) chain A
residue 14
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 503
source : AC2

4) chain A
residue 68
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 501
source : AC3

5) chain A
residue 69
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 501
source : AC3

6) chain A
residue 70
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 501
source : AC3

7) chain A
residue 25
type
sequence D
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

8) chain A
residue 27
type
sequence G
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

9) chain A
residue 28
type
sequence A
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

10) chain A
residue 29
type
sequence D
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

11) chain A
residue 30
type
sequence D
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

12) chain A
residue 48
type
sequence G
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

13) chain A
residue 49
type
sequence G
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

14) chain A
residue 50
type
sequence I
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

15) chain A
residue 81
type
sequence P
description BINDING SITE FOR CHAIN C OF CYCLIC PEPTIDE INHIBITOR
source : AC4

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

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

18) 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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