eF-site ID 5npp-B
PDB Code 5npp
Chain B

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Title 2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
Classification ISOMERASE
Compound DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A
Source Staphylococcus aureus (strain N315) (5NPP)
Sequence B:  KLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILP
LRGKILNVEKARLDRILNNNEIRQMITAFGTGIGGDFDLA
KARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGY
VYIAQPPTGYKGLGEMNADQLWETTMNPEHRALLQVKLED
AIEADQTFEMLMGDVVENRRQFIEDNAVYINERNITSEMR
ESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMT
PDKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSY
RYPLVDGQGNFGSMDGDGAAAMRYTEARMTKITLELLRDI
NKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGM
ATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFP
TAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRI
VVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLR
TGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALV
NGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAH
ILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSE
KQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETIL
ADEEVLLQLVRDELTEIRDRFGDDRRTEIQLG
Description (1)  DNA gyrase subunit B, DNA gyrase subunit A/DNA Complex


Functional site

1) chain B
residue 508
type
sequence D
description binding site for residue MN B 1501
source : AC1

2) chain B
residue 510
type
sequence D
description binding site for residue MN B 1501
source : AC1

3) chain B
residue 630
type
sequence R
description binding site for residue 94K B 1502
source : AC2

4) chain B
residue 633
type
sequence I
description binding site for residue 94K B 1502
source : AC2

5) chain B
residue 634
type
sequence E
description binding site for residue 94K B 1502
source : AC2

6) chain B
residue 1031
type
sequence V
description binding site for residue 94K B 1502
source : AC2

7) chain B
residue 1179
type
sequence M
description binding site for residue 94K B 1502
source : AC2

8) chain B
residue 1342
type
sequence R
description binding site for residue 94K B 1502
source : AC2

9) chain B
residue 1343
type
sequence P
description binding site for residue 94K B 1502
source : AC2

10) chain B
residue 1251
type
sequence E
description binding site for residue GOL B 1503
source : AC3

11) chain B
residue 1255
type
sequence G
description binding site for residue GOL B 1503
source : AC3

12) chain B
residue 1256
type
sequence R
description binding site for residue GOL B 1503
source : AC3

13) chain B
residue 1047
type
sequence R
description binding site for residue GOL B 1504
source : AC4

14) chain B
residue 1048
type
sequence R
description binding site for residue GOL B 1504
source : AC4

15) chain B
residue 1147
type
sequence I
description binding site for residue GOL B 1504
source : AC4

16) chain B
residue 1156
type
sequence E
description binding site for residue GOL B 1504
source : AC4

17) chain B
residue 1190
type
sequence E
description binding site for residue GOL B 1505
source : AC5

18) chain B
residue 1214
type
sequence E
description binding site for residue GOL B 1505
source : AC5

19) chain B
residue 1482
type
sequence D
description binding site for residue GOL B 1505
source : AC5

20) chain B
residue 1483
type
sequence D
description binding site for residue GOL B 1505
source : AC5

21) chain B
residue 1484
type
sequence R
description binding site for residue GOL B 1505
source : AC5

22) chain B
residue 1322
type
sequence Y
description binding site for residue NA B 1506
source : AC6

23) chain B
residue 1323
type
sequence K
description binding site for residue NA B 1506
source : AC6

24) chain B
residue 1325
type
sequence T
description binding site for residue NA B 1506
source : AC6

25) chain B
residue 1328
type
sequence Q
description binding site for residue NA B 1506
source : AC6

26) chain B
residue 1097
type
sequence F
description binding site for residue DMS B 1507
source : AC7

27) chain B
residue 1113
type
sequence M
description binding site for residue DMS B 1507
source : AC7

28) chain B
residue 1115
type
sequence G
description binding site for residue DMS B 1507
source : AC7

29) chain B
residue 1244
type
sequence R
description binding site for residue GOL D 1504
source : AD2

30) chain B
residue 1319
type
sequence N
description binding site for residue GOL D 1504
source : AD2

31) chain B
residue 1084
type
sequence S
description binding site for residue GOL A 101
source : AD5

32) chain B
residue 1068
type
sequence A
description binding site for residue 6EJ C 101
source : AD6

33) chain B
residue 1072
type
sequence G
description binding site for residue 6EJ C 101
source : AD6

34) chain B
residue 1075
type
sequence M
description binding site for residue 6EJ C 101
source : AD6

35) chain B
residue 1083
type
sequence D
description binding site for residue 6EJ C 101
source : AD6

36) chain B
residue 1121
type
sequence M
description binding site for residue 6EJ C 101
source : AD6

37) chain B
residue 433-441
type prosite
sequence LVEGDSAGG
description TOPOISOMERASE_II DNA topoisomerase II signature. LVEGDSAGG
source prosite : PS00177

38) chain B
residue 510
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_01898
source Swiss-Prot : SWS_FT_FI1

39) chain B
residue 508
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_01898
source Swiss-Prot : SWS_FT_FI1

40) chain B
residue 435
type BINDING
sequence E
description BINDING => ECO:0000255|HAMAP-Rule:MF_01898
source Swiss-Prot : SWS_FT_FI1

41) chain B
residue 463
type SITE
sequence N
description Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898
source Swiss-Prot : SWS_FT_FI2

42) chain B
residue 460
type SITE
sequence K
description Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898
source Swiss-Prot : SWS_FT_FI2

43) chain B
residue 1123
type ACT_SITE
sequence Y
description O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|HAMAP-Rule:MF_01897
source Swiss-Prot : SWS_FT_FI3


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