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

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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 D:  GKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAIL
PLRGKILNVEKARLDRILNNNEIRQMITAFGTGIGGDFDL
AKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAG
YVYIAQPPTGYKGLGEMNADQLWETTMNPEHRALLQVKLE
DAIEADQTFEMLMGDVVENRRQFIEDNAVYNERNITSEMR
ESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMT
PDKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSY
RYPLVDGQGNFGSMDGDGAAAMRYTEARMTKITLELLRDI
NKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGM
ATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFP
TAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRI
VVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLR
TGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALV
NGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAH
ILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSE
KQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETIL
ADEEVLLQLVRDELTEIRDRFGDDRRTEIQL
Description


Functional site

1) chain D
residue 1315
type
sequence S
description binding site for residue GOL B 1503
source : AC3

2) chain D
residue 1319
type
sequence N
description binding site for residue GOL B 1503
source : AC3

3) chain D
residue 508
type
sequence D
description binding site for residue MN D 1501
source : AC8

4) chain D
residue 510
type
sequence D
description binding site for residue MN D 1501
source : AC8

5) chain D
residue 630
type
sequence R
description binding site for residue 94K D 1502
source : AC9

6) chain D
residue 633
type
sequence I
description binding site for residue 94K D 1502
source : AC9

7) chain D
residue 634
type
sequence E
description binding site for residue 94K D 1502
source : AC9

8) chain D
residue 637
type
sequence A
description binding site for residue 94K D 1502
source : AC9

9) chain D
residue 1031
type
sequence V
description binding site for residue 94K D 1502
source : AC9

10) chain D
residue 1179
type
sequence M
description binding site for residue 94K D 1502
source : AC9

11) chain D
residue 1342
type
sequence R
description binding site for residue 94K D 1502
source : AC9

12) chain D
residue 1343
type
sequence P
description binding site for residue 94K D 1502
source : AC9

13) chain D
residue 1044
type
sequence P
description binding site for residue GOL D 1503
source : AD1

14) chain D
residue 1047
type
sequence R
description binding site for residue GOL D 1503
source : AD1

15) chain D
residue 1156
type
sequence E
description binding site for residue GOL D 1503
source : AD1

16) chain D
residue 1251
type
sequence E
description binding site for residue GOL D 1504
source : AD2

17) chain D
residue 1255
type
sequence G
description binding site for residue GOL D 1504
source : AD2

18) chain D
residue 1256
type
sequence R
description binding site for residue GOL D 1504
source : AD2

19) chain D
residue 1257
type
sequence Q
description binding site for residue GOL D 1504
source : AD2

20) chain D
residue 1115
type
sequence G
description binding site for residue GOL D 1505
source : AD3

21) chain D
residue 1267
type
sequence Q
description binding site for residue GOL D 1505
source : AD3

22) chain D
residue 1389
type
sequence D
description binding site for residue GOL D 1506
source : AD4

23) chain D
residue 1390
type
sequence H
description binding site for residue GOL D 1506
source : AD4

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

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

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

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

28) chain D
residue 1084
type
sequence S
description binding site for residue GOL C 102
source : AD7

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

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

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

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

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

34) chain D
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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