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

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Title Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Integrase
Source (Q76353_9HIV1)
Sequence A:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE
TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK
QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV
QMAVFIHNHKRKGYSAGERIVDIIATDIQ
Description


Functional site

1) chain A
residue 66
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 2
source : AC1

2) chain A
residue 67
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 2
source : AC1

3) chain A
residue 111
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 2
source : AC1

4) chain A
residue 136
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 2
source : AC1

5) chain A
residue 159
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 2
source : AC1

6) chain A
residue 71
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 4
source : AC2

7) chain A
residue 166
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 4
source : AC2

8) chain A
residue 171
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 4
source : AC2

9) chain A
residue 172
type
sequence L
description BINDING SITE FOR RESIDUE SO4 A 4
source : AC2

10) chain A
residue 94
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 5
source : AC3

11) chain A
residue 123
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 5
source : AC3

12) chain A
residue 124
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 5
source : AC3

13) chain A
residue 125
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 5
source : AC3

14) chain A
residue 85
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 7
source : AC4

15) chain A
residue 86
type
sequence A
description BINDING SITE FOR RESIDUE SO4 A 7
source : AC4

16) chain A
residue 87
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 7
source : AC4

17) chain A
residue 103
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 7
source : AC4

18) chain A
residue 79
type
sequence V
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

19) chain A
residue 80
type
sequence A
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

20) chain A
residue 81
type
sequence S
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

21) chain A
residue 82
type
sequence G
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

22) chain A
residue 84
type
sequence I
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

23) chain A
residue 154
type
sequence M
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

24) chain A
residue 158
type
sequence L
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

25) chain A
residue 183
type
sequence H
description BINDING SITE FOR RESIDUE CBJ A 213
source : AC5

26) chain A
residue 168
type
sequence Q
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

27) chain A
residue 169
type
sequence A
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

28) chain A
residue 170
type
sequence E
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

29) chain A
residue 171
type
sequence H
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

30) chain A
residue 174
type
sequence T
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

31) chain A
residue 178
type
sequence M
description BINDING SITE FOR RESIDUE CBJ A 235
source : AC6

32) chain A
residue 105
type
sequence A
description BINDING SITE FOR RESIDUE ACY A 1
source : AC7

33) chain A
residue 106
type
sequence G
description BINDING SITE FOR RESIDUE ACY A 1
source : AC7

34) chain A
residue 107
type
sequence R
description BINDING SITE FOR RESIDUE ACY A 1
source : AC7

35) chain A
residue 108
type
sequence W
description BINDING SITE FOR RESIDUE ACY A 1
source : AC7

36) chain A
residue 107
type
sequence R
description BINDING SITE FOR RESIDUE ACY A 3
source : AC8

37) chain A
residue 108
type
sequence W
description BINDING SITE FOR RESIDUE ACY A 3
source : AC8

38) chain A
residue 109
type
sequence P
description BINDING SITE FOR RESIDUE ACY A 3
source : AC8

39) chain A
residue 87
type
sequence E
description BINDING SITE FOR RESIDUE ACY A 214
source : AC9

40) chain A
residue 99
type
sequence Y
description BINDING SITE FOR RESIDUE ACY A 215
source : BC1

41) chain A
residue 103
type
sequence K
description BINDING SITE FOR RESIDUE ACY A 215
source : BC1

42) chain A
residue 107
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 8
source : BC5

43) chain A
residue 95
type
sequence Q
description BINDING SITE FOR RESIDUE CBJ B 245
source : BC7

44) chain A
residue 132
type
sequence W
description BINDING SITE FOR RESIDUE CBJ B 245
source : BC7

45) chain A
residue 185
type
sequence H
description BINDING SITE FOR RESIDUE ACY B 2
source : BC8

46) chain A
residue 64
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI1

47) chain A
residue 116
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI1

48) chain A
residue 152
type BINDING
sequence E
description BINDING => ECO:0000250|UniProtKB:P04585
source Swiss-Prot : SWS_FT_FI2


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