eF-site ID 5gwi-A
PDB Code 5gwi
Chain A

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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 null (5GWI)
Sequence A:  KGIPKLDDANDAGGKHSLECTLILTEGDSAKSLAVSGLGV
IGRDRYGVFPLRGKILNVREASHKQIMENAEINNIIKIVG
LQYKKSYDDAESLKTLRYGKIMIMTDQDQDGSHIKGLLIN
FIHHNWPSLLKHGFLEEFITKEAKEYFADMERHRILFRYA
GPEDDAAITLAFSKKKIDDRKEWLTNFMEDRRQRRLHGLK
HLTYNDFINKELILFSNSDNERSIPSLVDGFKPGQRKVLF
TCFKRNDKREVKVAQLAGSVAEMSAYHHGEQALMMTIVNL
AQNFVGSNNINLLQPIGQFGTRLHGGKDAASPRYIFTMLS
TLARLLFPAVDDNLLKFLYDDNQRVEPEWYIPIIPMVLIN
GAEGIGTGWACKLPNYDAREIVNNVRRMLDGLDPHPMLPN
YKNFKGTIQELGQNQYAVSGEIFVVDRNTVEITELPVRTW
TQVYKEQVLEPMLNGTDKTPALISDYKEYHTDTTVKFVVK
MTEEKLAQAEAAGLHKVFKLQTTLTCNSMVLFDHMGCLKK
YETVQDILKEFFDLRLSYYGLRKEWLVGMLGAESTKLNNQ
ARFILEKIQGKITIENRSKKDLIQMLVQRGYESDPVKAWK
EAQEGPDFNYILNMSLWSLTKEKVEELIKQRDAKGREVND
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 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

18) 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

19) 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

20) 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

21) 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

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

23) 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

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

25) 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

26) 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

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

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

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

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

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

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

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

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

35) 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


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