eF-site ID 5gwi-AB
PDB Code 5gwi
Chain A, B

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Title Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873R
Classification ISOMERASE/DNA/ISOMERASE INHIBITOR
Compound DNA topoisomerase 2-beta
Source Homo sapiens (Human) (5GWI)
Sequence A:  KGIPKLDDANDAGGKHSLECTLILTEGDSAKSLAVSGLGV
IGRDRYGVFPLRGKILNVREASHKQIMENAEINNIIKIVG
LQYKKSYDDAESLKTLRYGKIMIMTDQDQDGSHIKGLLIN
FIHHNWPSLLKHGFLEEFITKEAKEYFADMERHRILFRYA
GPEDDAAITLAFSKKKIDDRKEWLTNFMEDRRQRRLHGLK
HLTYNDFINKELILFSNSDNERSIPSLVDGFKPGQRKVLF
TCFKRNDKREVKVAQLAGSVAEMSAYHHGEQALMMTIVNL
AQNFVGSNNINLLQPIGQFGTRLHGGKDAASPRYIFTMLS
TLARLLFPAVDDNLLKFLYDDNQRVEPEWYIPIIPMVLIN
GAEGIGTGWACKLPNYDAREIVNNVRRMLDGLDPHPMLPN
YKNFKGTIQELGQNQYAVSGEIFVVDRNTVEITELPVRTW
TQVYKEQVLEPMLNGTDKTPALISDYKEYHTDTTVKFVVK
MTEEKLAQAEAAGLHKVFKLQTTLTCNSMVLFDHMGCLKK
YETVQDILKEFFDLRLSYYGLRKEWLVGMLGAESTKLNNQ
ARFILEKIQGKITIENRSKKDLIQMLVQRGYESDPVKAWK
EAQEGPDFNYILNMSLWSLTKEKVEELIKQRDAKGREVND
LKRKSPSDLWKEDLAAFVEELDKVESQERED
B:  SKIKGIPKLDDANDAGGKHSLECTLILTEGDSAKSLAVSG
LGVIGRDRYGVFPLRGKILNVREASHKQIMENAEINNIIK
IVGLQYKKSYDDAESLKTLRYGKIMIMTDQDQDGSHIKGL
LINFIHHNWPSLLKHGFLEEFITPAKEAKEYFADMERHRI
LFRYAGPEDDAAITLAFSKKKIDDRKEWLTNFMEDRRQRR
LHGTKHLTYNDFINKELILFSNSDNERSIPSLVDGFKPGQ
RKVLFTCFKRNDKREVKVAQLAGSVAEMSAYHHGEQALMM
TIVNLAQNFVGSNNINLLQPIGQFGTRLHGGKDAASPRYI
FTMLSTLARLLFPAVDDNLLKFLYDDNQRVEPEWYIPIIP
MVLINGAEGIGTGWACKLPNYDAREIVNNVRRMLDGLDPH
PMLPNYKNFKGTIQELGQNQYAVSGEIFVVDRNTVEITEL
PVRTWTQVYKEQVLEPMLNGPALISDYKEYHTDTTVKFVV
KMTEEKLAQAEAAGLHKVFKLQTTLTCNSMVLFDHMGCLK
KYETVQDILKEFFDLRLSYYGLRKEWLVGMLGAESTKLNN
QARFILEKIQGKITIENRSKKDLIQMLVQRGYESDPVKAW
KEAQGPDFNYILNMSLWSLTKEKVEELIKQRDAKGREVND
LKRKSPSDLWKEDLAAFVEELDKVESQERED
Description


Functional site

1) chain A
residue 478
type
sequence G
description binding site for residue N2R A 1301
source : AC1

2) chain A
residue 479
type
sequence D
description binding site for residue N2R A 1301
source : AC1

3) chain A
residue 502
type
sequence L
description binding site for residue N2R A 1301
source : AC1

4) chain A
residue 503
type
sequence R
description binding site for residue N2R A 1301
source : AC1

5) chain A
residue 778
type
sequence Q
description binding site for residue N2R A 1301
source : AC1

6) chain A
residue 782
type
sequence M
description binding site for residue N2R A 1301
source : AC1

7) chain A
residue 478
type
sequence G
description binding site for residue N2N A 1302
source : AC2

8) chain A
residue 479
type
sequence D
description binding site for residue N2N A 1302
source : AC2

9) chain A
residue 502
type
sequence L
description binding site for residue N2N A 1302
source : AC2

10) chain A
residue 503
type
sequence R
description binding site for residue N2N A 1302
source : AC2

11) chain A
residue 778
type
sequence Q
description binding site for residue N2N A 1302
source : AC2

12) chain A
residue 782
type
sequence M
description binding site for residue N2N A 1302
source : AC2

13) chain A
residue 557
type
sequence D
description binding site for residue MG A 1303
source : AC3

14) chain A
residue 559
type
sequence D
description binding site for residue MG A 1303
source : AC3

15) chain A
residue 867
type
sequence N
description binding site for residue MG A 1304
source : AC4

16) chain A
residue 868
type
sequence G
description binding site for residue MG A 1304
source : AC4

17) chain B
residue 478
type
sequence G
description binding site for residue N2R B 1301
source : AC5

18) chain B
residue 479
type
sequence D
description binding site for residue N2R B 1301
source : AC5

19) chain B
residue 503
type
sequence R
description binding site for residue N2R B 1301
source : AC5

20) chain B
residue 778
type
sequence Q
description binding site for residue N2R B 1301
source : AC5

21) chain B
residue 782
type
sequence M
description binding site for residue N2R B 1301
source : AC5

22) chain B
residue 557
type
sequence D
description binding site for residue MG B 1303
source : AC6

23) chain B
residue 559
type
sequence D
description binding site for residue MG B 1303
source : AC6

24) chain B
residue 478
type
sequence G
description binding site for residue N2N B 1302
source : AC7

25) chain B
residue 479
type
sequence D
description binding site for residue N2N B 1302
source : AC7

26) chain B
residue 503
type
sequence R
description binding site for residue N2N B 1302
source : AC7

27) chain B
residue 778
type
sequence Q
description binding site for residue N2N B 1302
source : AC7

28) chain B
residue 781
type
sequence M
description binding site for residue N2N B 1302
source : AC7

29) chain B
residue 782
type
sequence M
description binding site for residue N2N B 1302
source : AC7

30) chain B
residue 641
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

31) chain B
residue 671
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

32) chain B
residue 707
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

33) chain B
residue 1087
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

34) chain A
residue 641
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

35) chain A
residue 671
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

36) chain A
residue 707
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

37) chain A
residue 1087
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI8

38) chain A
residue 638
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:25772364, ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI9

39) chain B
residue 638
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:25772364, ECO:0007744|PubMed:28112733
source Swiss-Prot : SWS_FT_FI9

40) chain A
residue 821
type ACT_SITE
sequence Y
description O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|PROSITE-ProRule:PRU01384, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI1

41) chain B
residue 821
type ACT_SITE
sequence Y
description O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|PROSITE-ProRule:PRU01384, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI1

42) chain A
residue 505
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

43) chain B
residue 678
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

44) chain B
residue 739
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

45) chain B
residue 947
type SITE
sequence W
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

46) chain A
residue 508
type SITE
sequence N
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

47) chain A
residue 677
type SITE
sequence R
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

48) chain A
residue 678
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

49) chain A
residue 739
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

50) chain A
residue 947
type SITE
sequence W
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

51) chain B
residue 505
type SITE
sequence K
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

52) chain B
residue 508
type SITE
sequence N
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

53) chain B
residue 677
type SITE
sequence R
description Interaction with DNA
source Swiss-Prot : SWS_FT_FI4

54) chain A
residue 773
type SITE
sequence Y
description Interaction with DNA => ECO:0000255|PROSITE-ProRule:PRU00995
source Swiss-Prot : SWS_FT_FI5

55) chain B
residue 773
type SITE
sequence Y
description Interaction with DNA => ECO:0000255|PROSITE-ProRule:PRU00995
source Swiss-Prot : SWS_FT_FI5

56) chain A
residue 820
type SITE
sequence R
description Transition state stabilizer
source Swiss-Prot : SWS_FT_FI6

57) chain B
residue 820
type SITE
sequence R
description Transition state stabilizer
source Swiss-Prot : SWS_FT_FI6

58) chain A
residue 872
type SITE
sequence I
description Important for DNA bending; intercalates between base pairs of target DNA
source Swiss-Prot : SWS_FT_FI7

59) chain B
residue 872
type SITE
sequence I
description Important for DNA bending; intercalates between base pairs of target DNA
source Swiss-Prot : SWS_FT_FI7

60) chain A
residue 477
type BINDING
sequence E
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995
source Swiss-Prot : SWS_FT_FI2

61) chain B
residue 477
type BINDING
sequence E
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995
source Swiss-Prot : SWS_FT_FI2

62) chain A
residue 557
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI3

63) chain A
residue 559
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI3

64) chain B
residue 557
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI3

65) chain B
residue 559
type BINDING
sequence D
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00995, ECO:0000269|PubMed:21778401
source Swiss-Prot : SWS_FT_FI3

66) chain A
residue 475-483
type prosite
sequence LTEGDSAKS
description TOPOISOMERASE_II DNA topoisomerase II signature. LTEGDSAKS
source prosite : PS00177


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