eF-site ID 3nf8-B
PDB Code 3nf8
Chain B

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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 B:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE
TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK
QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV
QMAVFIHNHKRKGYSAGERIVDIIATDIQ
Description


Functional site

1) chain B
residue 185
type
sequence H
description BINDING SITE FOR RESIDUE CDQ A 225
source : AC4

2) chain B
residue 195
type
sequence S
description BINDING SITE FOR RESIDUE CDQ A 225
source : AC4

3) chain B
residue 197
type
sequence G
description BINDING SITE FOR RESIDUE CDQ A 225
source : AC4

4) chain B
residue 198
type
sequence E
description BINDING SITE FOR RESIDUE CDQ A 225
source : AC4

5) chain B
residue 95
type
sequence Q
description BINDING SITE FOR RESIDUE CDQ A 267
source : AC6

6) chain B
residue 99
type
sequence Y
description BINDING SITE FOR RESIDUE CDQ A 267
source : AC6

7) chain B
residue 125
type
sequence T
description BINDING SITE FOR RESIDUE CDQ A 267
source : AC6

8) chain B
residue 128
type
sequence A
description BINDING SITE FOR RESIDUE CDQ A 267
source : AC6

9) chain B
residue 132
type
sequence W
description BINDING SITE FOR RESIDUE CDQ A 267
source : AC6

10) chain B
residue 106
type
sequence G
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

11) chain B
residue 107
type
sequence R
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

12) chain B
residue 108
type
sequence W
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

13) chain B
residue 109
type
sequence P
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

14) chain B
residue 204
type
sequence I
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

15) chain B
residue 207
type
sequence D
description BINDING SITE FOR RESIDUE CDQ A 277
source : AC7

16) chain B
residue 107
type
sequence R
description BINDING SITE FOR RESIDUE ACY A 1
source : AC8

17) chain B
residue 66
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 1
source : AC9

18) chain B
residue 67
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 1
source : AC9

19) chain B
residue 111
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1
source : AC9

20) chain B
residue 159
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1
source : AC9

21) chain B
residue 71
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 3
source : BC1

22) chain B
residue 171
type
sequence H
description BINDING SITE FOR RESIDUE SO4 B 3
source : BC1

23) chain B
residue 172
type
sequence L
description BINDING SITE FOR RESIDUE SO4 B 3
source : BC1

24) chain B
residue 94
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC2

25) chain B
residue 123
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC2

26) chain B
residue 124
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC2

27) chain B
residue 125
type
sequence T
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC2

28) chain B
residue 169
type
sequence A
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

29) chain B
residue 170
type
sequence E
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

30) chain B
residue 171
type
sequence H
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

31) chain B
residue 173
type
sequence K
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

32) chain B
residue 174
type
sequence T
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

33) chain B
residue 178
type
sequence M
description BINDING SITE FOR RESIDUE CDQ B 235
source : BC3

34) chain B
residue 62
type
sequence Q
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

35) chain B
residue 79
type
sequence V
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

36) chain B
residue 82
type
sequence G
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

37) chain B
residue 84
type
sequence I
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

38) chain B
residue 150
type
sequence V
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

39) chain B
residue 154
type
sequence M
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

40) chain B
residue 157
type
sequence E
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

41) chain B
residue 158
type
sequence L
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

42) chain B
residue 183
type
sequence H
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

43) chain B
residue 188
type
sequence K
description BINDING SITE FOR RESIDUE CDQ B 257
source : BC4

44) chain B
residue 85
type
sequence E
description BINDING SITE FOR RESIDUE ACY B 2
source : BC5

45) chain B
residue 87
type
sequence E
description BINDING SITE FOR RESIDUE ACY B 2
source : BC5

46) chain B
residue 100
type
sequence F
description BINDING SITE FOR RESIDUE ACY B 2
source : BC5

47) chain B
residue 103
type
sequence K
description BINDING SITE FOR RESIDUE ACY B 2
source : BC5

48) chain B
residue 64
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI1

49) chain B
residue 116
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI1

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


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