eF-site ID 6p0r-AB
PDB Code 6p0r
Chain A, B

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Title Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Histone-lysine N-methyltransferase SUV39H2
Source (SUV92_HUMAN)
Sequence A:  AKQRIALQRWQDELNRRKNHKGMIFVENTVDLEGPPSDFY
YINEYKPAPGISLVNEATFGCSCTDCFFQKCCPAEAGVLL
AYNKNQQIKIPPGTPIYECNSRCQCGPDCPNRIVQKGTQY
SLCIFRTSNGRGWGVKTLVKIKRMSFVMEYVGEVITSEEA
ERRGQFYGITYLFDLDYESDEFTVDAARYGNVSHFVNHSC
DPNLQVFNVFIDNLDTRLPRIALFSTRTINAGEELTFDYQ
MKRTVCKCVTCRGYL
B:  KQRIALQRWQDELNRRKNHKGMIFVENTVDLEGPPSDFYY
INEYKPAPATFGCSCTDCFFQKCCPAEAGVLLAYNKNQQI
KIPPGTPIYECNSRCQCGPDCPNRIVQKGTQYSLCIFRTS
NGRGWGVKTLVKIKRMSFVMEYVGEVITSEEAERRGQFIT
YLFDLDYESDEFTVDAARYGNVSHFVNHSCDPNLQVFNVF
IDNLDTRLPRIALFSTRTINAGEELTFDYQ
Description


Functional site

1) chain A
residue 280
type
sequence Y
description binding site for residue NM4 A 501
source : AC1

2) chain A
residue 302
type
sequence I
description binding site for residue NM4 A 501
source : AC1

3) chain A
residue 303
type
sequence T
description binding site for residue NM4 A 501
source : AC1

4) chain A
residue 304
type
sequence Y
description binding site for residue NM4 A 501
source : AC1

5) chain A
residue 305
type
sequence L
description binding site for residue NM4 A 501
source : AC1

6) chain A
residue 326
type
sequence S
description binding site for residue NM4 A 501
source : AC1

7) chain A
residue 327
type
sequence H
description binding site for residue NM4 A 501
source : AC1

8) chain A
residue 329
type
sequence V
description binding site for residue NM4 A 501
source : AC1

9) chain A
residue 356
type
sequence L
description binding site for residue NM4 A 501
source : AC1

10) chain A
residue 370
type
sequence F
description binding site for residue NM4 A 501
source : AC1

11) chain A
residue 372
type
sequence Y
description binding site for residue NM4 A 501
source : AC1

12) chain A
residue 333
type
sequence C
description binding site for residue ZN A 502
source : AC2

13) chain A
residue 398
type
sequence C
description binding site for residue ZN A 502
source : AC2

14) chain A
residue 400
type
sequence C
description binding site for residue ZN A 502
source : AC2

15) chain A
residue 405
type
sequence C
description binding site for residue ZN A 502
source : AC2

16) chain A
residue 191
type
sequence C
description binding site for residue ZN A 503
source : AC3

17) chain A
residue 193
type
sequence C
description binding site for residue ZN A 503
source : AC3

18) chain A
residue 196
type
sequence C
description binding site for residue ZN A 503
source : AC3

19) chain A
residue 201
type
sequence C
description binding site for residue ZN A 503
source : AC3

20) chain A
residue 191
type
sequence C
description binding site for residue ZN A 504
source : AC4

21) chain A
residue 202
type
sequence C
description binding site for residue ZN A 504
source : AC4

22) chain A
residue 229
type
sequence C
description binding site for residue ZN A 504
source : AC4

23) chain A
residue 233
type
sequence C
description binding site for residue ZN A 504
source : AC4

24) chain A
residue 196
type
sequence C
description binding site for residue ZN A 505
source : AC5

25) chain A
residue 229
type
sequence C
description binding site for residue ZN A 505
source : AC5

26) chain A
residue 235
type
sequence C
description binding site for residue ZN A 505
source : AC5

27) chain A
residue 239
type
sequence C
description binding site for residue ZN A 505
source : AC5

28) chain B
residue 280
type
sequence Y
description binding site for residue NM4 B 501
source : AC6

29) chain B
residue 302
type
sequence I
description binding site for residue NM4 B 501
source : AC6

30) chain B
residue 303
type
sequence T
description binding site for residue NM4 B 501
source : AC6

31) chain B
residue 304
type
sequence Y
description binding site for residue NM4 B 501
source : AC6

32) chain B
residue 305
type
sequence L
description binding site for residue NM4 B 501
source : AC6

33) chain B
residue 306
type
sequence F
description binding site for residue NM4 B 501
source : AC6

34) chain B
residue 326
type
sequence S
description binding site for residue NM4 B 501
source : AC6

35) chain B
residue 327
type
sequence H
description binding site for residue NM4 B 501
source : AC6

36) chain B
residue 329
type
sequence V
description binding site for residue NM4 B 501
source : AC6

37) chain B
residue 356
type
sequence L
description binding site for residue NM4 B 501
source : AC6

38) chain B
residue 370
type
sequence F
description binding site for residue NM4 B 501
source : AC6

39) chain B
residue 372
type
sequence Y
description binding site for residue NM4 B 501
source : AC6

40) chain B
residue 191
type
sequence C
description binding site for residue ZN B 502
source : AC7

41) chain B
residue 193
type
sequence C
description binding site for residue ZN B 502
source : AC7

42) chain B
residue 196
type
sequence C
description binding site for residue ZN B 502
source : AC7

43) chain B
residue 201
type
sequence C
description binding site for residue ZN B 502
source : AC7

44) chain B
residue 191
type
sequence C
description binding site for residue ZN B 503
source : AC8

45) chain B
residue 202
type
sequence C
description binding site for residue ZN B 503
source : AC8

46) chain B
residue 229
type
sequence C
description binding site for residue ZN B 503
source : AC8

47) chain B
residue 233
type
sequence C
description binding site for residue ZN B 503
source : AC8

48) chain B
residue 196
type
sequence C
description binding site for residue ZN B 504
source : AC9

49) chain B
residue 229
type
sequence C
description binding site for residue ZN B 504
source : AC9

50) chain B
residue 235
type
sequence C
description binding site for residue ZN B 504
source : AC9

51) chain B
residue 239
type
sequence C
description binding site for residue ZN B 504
source : AC9

52) chain A
residue 251
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

53) chain A
residue 321
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

54) chain B
residue 251
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

55) chain B
residue 253
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

56) chain B
residue 256
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

57) chain B
residue 261
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

58) chain B
residue 262
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

59) chain B
residue 289
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

60) chain B
residue 293
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

61) chain A
residue 253
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

62) chain B
residue 295
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

63) chain B
residue 321
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

64) chain A
residue 256
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

65) chain A
residue 261
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

66) chain A
residue 262
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

67) chain A
residue 289
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

68) chain A
residue 293
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1

69) chain A
residue 295
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:20084102, ECO:0007744|PDB:2R3A
source Swiss-Prot : SWS_FT_FI1


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