eF-site ID 6cm2-B
PDB Code 6cm2
Chain B

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Title SAMHD1 HD domain bound to decitabine triphosphate
Classification HYDROLASE
Compound Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
Source (SAMH1_HUMAN)
Sequence B:  DTMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGG
GYYVFPGASHNRFEHSLGVGYLAGCLVHALGEKQPELQIS
ERDVLCVQIAGLCRNLGHGPFSHMFDGRFIPLARPEVKWT
HEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQI
VGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFAR
DCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGN
LYDMFHTRNSLHRRAYQHKVGNIIDTMITDAFLKADDYIE
ITGAGGKKYRISTAIDDMEAYTKLTDNIFLEILYSTDPKL
KDAREILKQIEYRNLFKYVGETQPTGQIKIKREDYESLPK
EVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHV
SFYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVD
RKSLYAARQYFVQWCADRNFTKPQDGDVIAPLITPQKKEW
N
Description


Functional site

1) chain B
residue 523
type
sequence K
description binding site for residue GTP D 702
source : AC2

2) chain B
residue 156
type
sequence V
description binding site for residue F6G D 703
source : AC3

3) chain B
residue 157
type
sequence F
description binding site for residue F6G D 703
source : AC3

4) chain B
residue 372
type
sequence R
description binding site for residue F6G D 703
source : AC3

5) chain B
residue 376
type
sequence H
description binding site for residue F6G D 703
source : AC3

6) chain B
residue 377
type
sequence K
description binding site for residue F6G D 703
source : AC3

7) chain B
residue 333
type
sequence R
description binding site for residue F6G B 701
source : AC8

8) chain B
residue 337
type
sequence F
description binding site for residue F6G B 701
source : AC8

9) chain B
residue 352
type
sequence R
description binding site for residue F6G B 701
source : AC8

10) chain B
residue 354
type
sequence K
description binding site for residue F6G B 701
source : AC8

11) chain B
residue 523
type
sequence K
description binding site for residue F6G B 701
source : AC8

12) chain B
residue 523
type
sequence K
description binding site for residue MG B 702
source : AC9

13) chain B
residue 116
type
sequence K
description binding site for residue GTP B 703
source : AD1

14) chain B
residue 117
type
sequence V
description binding site for residue GTP B 703
source : AD1

15) chain B
residue 118
type
sequence I
description binding site for residue GTP B 703
source : AD1

16) chain B
residue 136
type
sequence I
description binding site for residue GTP B 703
source : AD1

17) chain B
residue 137
type
sequence D
description binding site for residue GTP B 703
source : AD1

18) chain B
residue 142
type
sequence Q
description binding site for residue GTP B 703
source : AD1

19) chain B
residue 145
type
sequence R
description binding site for residue GTP B 703
source : AD1

20) chain B
residue 165
type
sequence F
description binding site for residue GTP B 703
source : AD1

21) chain B
residue 149
type
sequence Q
description binding site for residue F6G B 704
source : AD2

22) chain B
residue 150
type
sequence L
description binding site for residue F6G B 704
source : AD2

23) chain B
residue 164
type
sequence R
description binding site for residue F6G B 704
source : AD2

24) chain B
residue 206
type
sequence R
description binding site for residue F6G B 704
source : AD2

25) chain B
residue 215
type
sequence H
description binding site for residue F6G B 704
source : AD2

26) chain B
residue 233
type
sequence H
description binding site for residue F6G B 704
source : AD2

27) chain B
residue 312
type
sequence K
description binding site for residue F6G B 704
source : AD2

28) chain B
residue 315
type
sequence Y
description binding site for residue F6G B 704
source : AD2

29) chain B
residue 319
type
sequence D
description binding site for residue F6G B 704
source : AD2

30) chain B
residue 366
type
sequence R
description binding site for residue F6G B 704
source : AD2

31) chain B
residue 370
type
sequence H
description binding site for residue F6G B 704
source : AD2

32) chain B
residue 374
type
sequence Y
description binding site for residue F6G B 704
source : AD2

33) chain B
residue 375
type
sequence Q
description binding site for residue F6G B 704
source : AD2

34) chain B
residue 155
type
sequence Y
description binding site for residue GTP B 705
source : AD3

35) chain B
residue 156
type
sequence V
description binding site for residue GTP B 705
source : AD3

36) chain B
residue 378
type
sequence V
description binding site for residue GTP B 705
source : AD3

37) chain B
residue 451
type
sequence R
description binding site for residue GTP B 705
source : AD3

38) chain B
residue 455
type
sequence K
description binding site for residue GTP B 705
source : AD3

39) chain B
residue 117
type
sequence V
description binding site for residue F6G A 701
source : AD4

40) chain B
residue 119
type
sequence N
description binding site for residue F6G A 701
source : AD4

41) chain B
residue 592
type MOD_RES
sequence T
description Phosphothreonine; by CDK1 => ECO:0000269|PubMed:23601106, ECO:0000269|PubMed:23602554, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200, ECO:0000269|PubMed:29610582, ECO:0000269|PubMed:29670289, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
source Swiss-Prot : SWS_FT_FI6

42) chain B
residue 233
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000305|PubMed:22056990
source Swiss-Prot : SWS_FT_FI1

43) chain B
residue 116
type BINDING
sequence K
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

44) chain B
residue 137
type BINDING
sequence D
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

45) chain B
residue 333
type BINDING
sequence R
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

46) chain B
residue 352
type BINDING
sequence R
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

47) chain B
residue 358
type BINDING
sequence N
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

48) chain B
residue 523
type BINDING
sequence K
description in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI2

49) chain B
residue 119
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI3

50) chain B
residue 376
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI3

51) chain B
residue 377
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI3

52) chain B
residue 451
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI3

53) chain B
residue 455
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI3

54) chain B
residue 149
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

55) chain B
residue 164
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

56) chain B
residue 210
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

57) chain B
residue 309
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

58) chain B
residue 315
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

59) chain B
residue 319
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

60) chain B
residue 366
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

61) chain B
residue 370
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4

62) chain B
residue 206
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI5

63) chain B
residue 207
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI5

64) chain B
residue 311
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI5

65) chain B
residue 167
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200
source Swiss-Prot : SWS_FT_FI5

66) chain B
residue 467
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_FI7

67) chain B
residue 469
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_FI7

68) chain B
residue 492
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_FI7


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