eF-site ID 4qag-AB
PDB Code 4qag
Chain A, B

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Title Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Reverse transcriptase/ribonuclease H
Source Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) (POL_HV1B1)
Sequence A:  LWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQ
KVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALG
IIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGG
NEQVDKLVSAGIR
B:  LWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQ
KVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALG
IIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGG
NEQVDKLVSAGIR
Description


Functional site

1) chain A
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE MN A 601
source : AC1

2) chain A
residue 549
type
sequence D
description BINDING SITE FOR RESIDUE MN A 601
source : AC1

3) chain A
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE MN A 602
source : AC2

4) chain A
residue 478
type
sequence E
description BINDING SITE FOR RESIDUE MN A 602
source : AC2

5) chain A
residue 498
type
sequence D
description BINDING SITE FOR RESIDUE MN A 602
source : AC2

6) chain A
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

7) chain A
residue 478
type
sequence E
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

8) chain A
residue 498
type
sequence D
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

9) chain A
residue 499
type
sequence S
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

10) chain A
residue 539
type
sequence H
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

11) chain A
residue 549
type
sequence D
description BINDING SITE FOR RESIDUE F95 A 603
source : AC3

12) chain B
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE MN B 601
source : AC4

13) chain B
residue 549
type
sequence D
description BINDING SITE FOR RESIDUE MN B 601
source : AC4

14) chain B
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE MN B 602
source : AC5

15) chain B
residue 478
type
sequence E
description BINDING SITE FOR RESIDUE MN B 602
source : AC5

16) chain B
residue 498
type
sequence D
description BINDING SITE FOR RESIDUE MN B 602
source : AC5

17) chain B
residue 443
type
sequence D
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

18) chain B
residue 478
type
sequence E
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

19) chain B
residue 498
type
sequence D
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

20) chain B
residue 499
type
sequence S
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

21) chain B
residue 539
type
sequence H
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

22) chain B
residue 549
type
sequence D
description BINDING SITE FOR RESIDUE F95 B 603
source : AC6

23) chain A
residue 478
type BINDING
sequence E
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

24) chain A
residue 498
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

25) chain A
residue 549
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

26) chain B
residue 443
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

27) chain B
residue 478
type BINDING
sequence E
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

28) chain B
residue 498
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

29) chain B
residue 549
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

30) chain A
residue 443
type BINDING
sequence D
description BINDING => ECO:0000305
source Swiss-Prot : SWS_FT_FI1

31) chain A
residue 440
type SITE
sequence F
description Cleavage; by viral protease; partial
source Swiss-Prot : SWS_FT_FI2

32) chain B
residue 440
type SITE
sequence F
description Cleavage; by viral protease; partial
source Swiss-Prot : SWS_FT_FI2


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