eF-site ID 4qeo-ACDP
PDB Code 4qeo
Chain A, C, D, P

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Title crystal structure of KRYPTONITE in complex with mCHH DNA, H3(1-15) peptide and SAH
Classification transcription/DNA
Compound Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH4
Source null (4QEO)
Sequence A:  LEPHLKVTKCLRLFNKQYLLCVQAKLSRPDLKGVTEMIKA
KAILYPRKIIGDLPGIDVGHRFFSRAEMCAVGFHNHWLNG
IDYMSMEYEKEYSNYKLPLAVSIVMSGQYEDDLDNADTVT
YTGQGGHNLTGNKRQIKDQLLERGNLALKHCCEYNVPVRV
TRGHNCKSSYTKRVYTYDGLYKVEKFWAQKGVSGFTVYKY
RLKRLEGQPELTTDIEGLVCEDISGGLEFKGIPATNRVDD
SPVSPTSGFTYIKSLIIEPNVIIPKSSTGCNCRGSCTDSK
KCACAKLNGGNFPYVDLNDGRLIESRDVVFECGPHCGCGP
KCVNRTSQKRLRFNLEVFRSAKKGWAVRSWEYIPAGSPVC
EYIGVVRRTADVNEYIFEIDCPEFCIDAGSTGNFARFINH
SCEPNLFVQCVLSSHQDIRLARVVLFAADNISPMQELTYD
YGYALDSVHGPDGKVKQLACYCGALNCRKRLY
C:  GGTACTXATCA
D:  TGATGAGTACCAT
P:  KSTGGKA
Description


Functional site

1) chain A
residue 456
type
sequence K
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

2) chain A
residue 457
type
sequence G
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

3) chain A
residue 458
type
sequence W
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

4) chain A
residue 492
type
sequence E
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

5) chain A
residue 493
type
sequence Y
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

6) chain A
residue 548
type
sequence R
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

7) chain A
residue 551
type
sequence N
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

8) chain A
residue 552
type
sequence H
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

9) chain A
residue 593
type
sequence Y
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

10) chain A
residue 611
type
sequence A
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

11) chain A
residue 612
type
sequence C
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

12) chain A
residue 613
type
sequence Y
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

13) chain A
residue 614
type
sequence C
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

14) chain P
residue 9
type
sequence K
description BINDING SITE FOR RESIDUE SAH A 801
source : AC1

15) chain A
residue 383
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 802
source : AC2

16) chain A
residue 397
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 802
source : AC2

17) chain A
residue 425
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 802
source : AC2

18) chain A
residue 429
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 802
source : AC2

19) chain A
residue 389
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 803
source : AC3

20) chain A
residue 425
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 803
source : AC3

21) chain A
residue 431
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 803
source : AC3

22) chain A
residue 435
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 803
source : AC3

23) chain A
residue 383
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 804
source : AC4

24) chain A
residue 385
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 804
source : AC4

25) chain A
residue 389
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 804
source : AC4

26) chain A
residue 395
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 804
source : AC4

27) chain A
residue 554
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

28) chain A
residue 612
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

29) chain A
residue 614
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

30) chain A
residue 619
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

31) chain A
residue 418
type
sequence S
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

32) chain A
residue 419
type
sequence R
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

33) chain A
residue 420
type
sequence D
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

34) chain A
residue 475
type
sequence Y
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

35) chain A
residue 492
type
sequence E
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

36) chain A
residue 494
type
sequence I
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

37) chain A
residue 495
type
sequence F
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

38) chain A
residue 496
type
sequence E
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

39) chain A
residue 591
type
sequence Y
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

40) chain A
residue 593
type
sequence Y
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

41) chain A
residue 594
type
sequence G
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

42) chain A
residue 595
type
sequence Y
description BINDING SITE FOR CHAIN P OF HISTONE H3
source : AC6

43) chain P
residue 14
type MOD_RES
sequence K
description N6-lactoyllysine; alternate => ECO:0000250|UniProtKB:P84228
source Swiss-Prot : SWS_FT_FI9

44) chain A
residue 456
type MOD_RES
sequence K
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

45) chain A
residue 551
type MOD_RES
sequence N
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

46) chain A
residue 554
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

47) chain A
residue 612
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

48) chain A
residue 614
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

49) chain A
residue 619
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

50) chain A
residue 395
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

51) chain A
residue 397
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

52) chain A
residue 425
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

53) chain A
residue 429
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

54) chain A
residue 431
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

55) chain A
residue 435
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

56) chain A
residue 385
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

57) chain A
residue 389
type MOD_RES
sequence C
description Citrulline; alternate => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI1

58) chain A
residue 548
type MOD_RES
sequence R
description Phosphothreonine; by HASPIN => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI2

59) chain P
residue 11
type MOD_RES
sequence T
description Phosphothreonine; by PKC => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI5

60) chain A
residue 409-421
type prosite
sequence DLNDGRLIESRDV
description EF_HAND_1 EF-hand calcium-binding domain. DLNDGRLIEsrDV
source prosite : PS00018

61) chain P
residue 9
type MOD_RES
sequence K
description N6-methyllysine; alternate => ECO:0000305|PubMed:12138181
source Swiss-Prot : SWS_FT_FI7

62) chain P
residue 10
type MOD_RES
sequence S
description Phosphoserine; alternate; by AURKB, AURKC, RPS6KA3, RPS6KA4 and RPS6KA5 => ECO:0000250|UniProtKB:Q71DI3
source Swiss-Prot : SWS_FT_FI8


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