eF-site ID 5ij8-ABEFST
PDB Code 5ij8
Chain A, B, E, F, S, T

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Title Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor
Classification transferase/transferase inhibitor
Compound Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2
Source Homo sapiens (Human) (SUZ12_HUMAN)
Sequence A:  EKGPICWRKRVKSEYMRLRQLKRFRRADEVKSMFNSNRQK
IQERTEILNQEWKQRRIQPVHIMRECSVTSDLDFPKQVIP
LKTLNAVASVPIMYSWSPLQQNFMVEDINDEIFVELVNAL
GQLDRRDEKPSDKIFEAISSMFPDKGTAEELKEKYKECTP
NIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHAT
PNTYKRWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQ
VYEFRVKVYNYQPCDHPRQPCDNSCPCVIAQNFCEKFCQC
SSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCG
AADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIK
DPVQKNEFISENCGEIISQDEADRRGKVYDKYMCSFLFNL
NNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIG
IFAKRAIQTGEELFFDYRYSQADA
B:  EKGPICWRKRVKSEYMRLRQLKRFRRADEVKSMFNSNRQK
IQERTEILNQEWKQRRIQPVHIMTRECSVTSDLDFPKQVI
PLKTLNAVASVPIMYSWSPLQQNFMVEDINDEIFVELVNA
LGQLDRRDEKPSDKIFEAISSMFPDKGTAEELKEKYKELT
CTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPF
HATPNTYKRSGAEASMFRVLIGTYYDNFCAIARLIGTKTC
RQVYEFRVKVYNYQPCDHPRQPCDNSCPCVIAQNFCEKFC
QCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLT
CGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIF
IKDPVQKNEFISENCGEIISQDEADRRGKVYDKYMCSFLF
NLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHR
IGIFAKRAIQTGEELFFDYRYSQADA
E:  FKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRV
TLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHP
LLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPR
DPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLS
ADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYN
PNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILS
KSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQC
DIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKC
TTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDR
F:  FKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRV
TLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHP
LLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPR
DPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLS
ADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYN
PNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILS
KSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQC
DIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKC
TTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRL
S:  HNRLYFHSDTCLPLRPQEMEVDDEDEKDPEWLREKTITQI
EEFSDVNEGEKEVMKLWNLHVMKHGFIADNQMNHACMLFV
ENYGQKIIKKNLCRNFMLHLVSMHDFNLISIMSIDKAVTK
LREMQQKL
T:  HNRLYFHSDTCLPLRPQEMEVDDEDEKDPEWLREKTITQI
EEFSDVNEGEKEVMKLWNLHVMKHGFIADNQMNHACMLFV
ENYGQKIIKKNLCRNFMLHLVSMHDFNLISIMSIDKAVTK
LREMQQKL
Description


Functional site

1) chain A
residue 109
type
sequence I
description binding site for residue 6BN A 9001
source : AC1

2) chain A
residue 110
type
sequence M
description binding site for residue 6BN A 9001
source : AC1

3) chain A
residue 111
type
sequence Y
description binding site for residue 6BN A 9001
source : AC1

4) chain A
residue 623
type
sequence G
description binding site for residue 6BN A 9001
source : AC1

5) chain A
residue 624
type
sequence W
description binding site for residue 6BN A 9001
source : AC1

6) chain A
residue 661
type
sequence Y
description binding site for residue 6BN A 9001
source : AC1

7) chain A
residue 663
type
sequence C
description binding site for residue 6BN A 9001
source : AC1

8) chain A
residue 665
type
sequence F
description binding site for residue 6BN A 9001
source : AC1

9) chain A
residue 685
type
sequence R
description binding site for residue 6BN A 9001
source : AC1

10) chain A
residue 686
type
sequence F
description binding site for residue 6BN A 9001
source : AC1

11) chain A
residue 687
type
sequence A
description binding site for residue 6BN A 9001
source : AC1

12) chain A
residue 688
type
sequence N
description binding site for residue 6BN A 9001
source : AC1

13) chain F
residue 222
type
sequence R
description binding site for residue 6BN A 9001
source : AC1

14) chain F
residue 223
type
sequence D
description binding site for residue 6BN A 9001
source : AC1

15) chain A
residue 523
type
sequence C
description binding site for residue ZN A 9002
source : AC2

16) chain A
residue 525
type
sequence H
description binding site for residue ZN A 9002
source : AC2

17) chain A
residue 530
type
sequence C
description binding site for residue ZN A 9002
source : AC2

18) chain A
residue 534
type
sequence C
description binding site for residue ZN A 9002
source : AC2

19) chain A
residue 523
type
sequence C
description binding site for residue ZN A 9003
source : AC3

20) chain A
residue 536
type
sequence C
description binding site for residue ZN A 9003
source : AC3

21) chain A
residue 543
type
sequence C
description binding site for residue ZN A 9003
source : AC3

22) chain A
residue 547
type
sequence C
description binding site for residue ZN A 9003
source : AC3

23) chain A
residue 530
type
sequence C
description binding site for residue ZN A 9004
source : AC4

24) chain A
residue 543
type
sequence C
description binding site for residue ZN A 9004
source : AC4

25) chain A
residue 549
type
sequence C
description binding site for residue ZN A 9004
source : AC4

26) chain A
residue 553
type
sequence C
description binding site for residue ZN A 9004
source : AC4

27) chain A
residue 564
type
sequence A
description binding site for residue ZN A 9005
source : AC5

28) chain A
residue 565
type
sequence Q
description binding site for residue ZN A 9005
source : AC5

29) chain A
residue 566
type
sequence C
description binding site for residue ZN A 9005
source : AC5

30) chain A
residue 588
type
sequence C
description binding site for residue ZN A 9005
source : AC5

31) chain A
residue 566
type
sequence C
description binding site for residue ZN A 9006
source : AC6

32) chain A
residue 580
type
sequence C
description binding site for residue ZN A 9006
source : AC6

33) chain A
residue 588
type
sequence C
description binding site for residue ZN A 9006
source : AC6

34) chain A
residue 601
type
sequence C
description binding site for residue ZN A 9006
source : AC6

35) chain A
residue 560
type
sequence C
description binding site for residue ZN A 9007
source : AC7

36) chain A
residue 573
type
sequence C
description binding site for residue ZN A 9007
source : AC7

37) chain A
residue 580
type
sequence C
description binding site for residue ZN A 9007
source : AC7

38) chain A
residue 585
type
sequence C
description binding site for residue ZN A 9007
source : AC7

39) chain A
residue 286
type
sequence C
description binding site for residue ZN A 9008
source : AC8

40) chain A
residue 289
type
sequence C
description binding site for residue ZN A 9008
source : AC8

41) chain A
residue 294
type
sequence C
description binding site for residue ZN A 9008
source : AC8

42) chain A
residue 297
type
sequence H
description binding site for residue ZN A 9008
source : AC8

43) chain B
residue 109
type
sequence I
description binding site for residue 6BN B 9001
source : AC9

44) chain B
residue 110
type
sequence M
description binding site for residue 6BN B 9001
source : AC9

45) chain B
residue 111
type
sequence Y
description binding site for residue 6BN B 9001
source : AC9

46) chain B
residue 623
type
sequence G
description binding site for residue 6BN B 9001
source : AC9

47) chain B
residue 624
type
sequence W
description binding site for residue 6BN B 9001
source : AC9

48) chain B
residue 661
type
sequence Y
description binding site for residue 6BN B 9001
source : AC9

49) chain B
residue 663
type
sequence C
description binding site for residue 6BN B 9001
source : AC9

50) chain B
residue 665
type
sequence F
description binding site for residue 6BN B 9001
source : AC9

51) chain B
residue 685
type
sequence R
description binding site for residue 6BN B 9001
source : AC9

52) chain B
residue 686
type
sequence F
description binding site for residue 6BN B 9001
source : AC9

53) chain B
residue 687
type
sequence A
description binding site for residue 6BN B 9001
source : AC9

54) chain B
residue 688
type
sequence N
description binding site for residue 6BN B 9001
source : AC9

55) chain E
residue 222
type
sequence R
description binding site for residue 6BN B 9001
source : AC9

56) chain E
residue 223
type
sequence D
description binding site for residue 6BN B 9001
source : AC9

57) chain B
residue 530
type
sequence C
description binding site for residue ZN B 9002
source : AD1

58) chain B
residue 543
type
sequence C
description binding site for residue ZN B 9002
source : AD1

59) chain B
residue 549
type
sequence C
description binding site for residue ZN B 9002
source : AD1

60) chain B
residue 553
type
sequence C
description binding site for residue ZN B 9002
source : AD1

61) chain B
residue 523
type
sequence C
description binding site for residue ZN B 9003
source : AD2

62) chain B
residue 536
type
sequence C
description binding site for residue ZN B 9003
source : AD2

63) chain B
residue 543
type
sequence C
description binding site for residue ZN B 9003
source : AD2

64) chain B
residue 547
type
sequence C
description binding site for residue ZN B 9003
source : AD2

65) chain B
residue 523
type
sequence C
description binding site for residue ZN B 9004
source : AD3

66) chain B
residue 525
type
sequence H
description binding site for residue ZN B 9004
source : AD3

67) chain B
residue 530
type
sequence C
description binding site for residue ZN B 9004
source : AD3

68) chain B
residue 534
type
sequence C
description binding site for residue ZN B 9004
source : AD3

69) chain B
residue 560
type
sequence C
description binding site for residue ZN B 9005
source : AD4

70) chain B
residue 573
type
sequence C
description binding site for residue ZN B 9005
source : AD4

71) chain B
residue 580
type
sequence C
description binding site for residue ZN B 9005
source : AD4

72) chain B
residue 585
type
sequence C
description binding site for residue ZN B 9005
source : AD4

73) chain B
residue 566
type
sequence C
description binding site for residue ZN B 9006
source : AD5

74) chain B
residue 580
type
sequence C
description binding site for residue ZN B 9006
source : AD5

75) chain B
residue 588
type
sequence C
description binding site for residue ZN B 9006
source : AD5

76) chain B
residue 601
type
sequence C
description binding site for residue ZN B 9006
source : AD5

77) chain B
residue 560
type
sequence C
description binding site for residue ZN B 9007
source : AD6

78) chain B
residue 562
type
sequence C
description binding site for residue ZN B 9007
source : AD6

79) chain B
residue 566
type
sequence C
description binding site for residue ZN B 9007
source : AD6

80) chain B
residue 571
type
sequence C
description binding site for residue ZN B 9007
source : AD6

81) chain B
residue 286
type
sequence C
description binding site for residue ZN B 9008
source : AD7

82) chain B
residue 289
type
sequence C
description binding site for residue ZN B 9008
source : AD7

83) chain B
residue 294
type
sequence C
description binding site for residue ZN B 9008
source : AD7

84) chain B
residue 297
type
sequence H
description binding site for residue ZN B 9008
source : AD7

85) chain E
residue 192-206
type prosite
sequence LLSVSKDHALRLWNI
description WD_REPEATS_1 Trp-Asp (WD) repeats signature. LLSVskDhALRLWNI
source prosite : PS00678

86) chain E
residue 270
type MOD_RES
sequence K
description Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18220336, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI1

87) chain F
residue 183
type MOD_RES
sequence K
description Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18220336, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI1

88) chain F
residue 254
type MOD_RES
sequence K
description Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18220336, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI1

89) chain F
residue 270
type MOD_RES
sequence K
description Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18220336, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI1

90) chain S
residue 583
type MOD_RES
sequence D
description Phosphoserine => ECO:0007744|PubMed:18220336
source Swiss-Prot : SWS_FT_FI2

91) chain T
residue 583
type MOD_RES
sequence D
description Phosphoserine => ECO:0007744|PubMed:18220336
source Swiss-Prot : SWS_FT_FI2

92) chain B
residue 677
type MOD_RES
sequence A
description Phosphoserine => ECO:0007744|PubMed:18220336
source Swiss-Prot : SWS_FT_FI2


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