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

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Title SAMHD1 HD domain bound to decitabine triphosphate
Classification HYDROLASE
Compound Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
Source (SAMH1_HUMAN)
Sequence A:  TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGG
YYVFPGASHNRFEHSLGVGYLAGCLVHALGEKQPELQISE
RDVLCVQIAGLCRNLGHGPFSHMFDGRFIPLARPEVKWTH
EQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQIV
GPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARD
CHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNL
YDMFHTRNSLHRRAYQHKVGNIIDTMITDAFLKADDYIEI
TGAGGKKYRISTAIDDMEAYTKLTDNIFLEILYSTDPKLK
DAREILKQIEYRNLFKYVGETQPTGQIKIKREDYESLPKE
VASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVS
FYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDR
KSLYAARQYFVQWCADRNFTKPQDGDVIAPLITPQKKEWN
Description


Functional site
1) chain A
residue 116
type
sequence K
description binding site for residue GTP D 702
source : AC2
2) chain A
residue 117
type
sequence V
description binding site for residue GTP D 702
source : AC2
3) chain A
residue 118
type
sequence I
description binding site for residue GTP D 702
source : AC2
4) chain A
residue 137
type
sequence D
description binding site for residue GTP D 702
source : AC2
5) chain A
residue 142
type
sequence Q
description binding site for residue GTP D 702
source : AC2
6) chain A
residue 145
type
sequence R
description binding site for residue GTP D 702
source : AC2
7) chain A
residue 165
type
sequence F
description binding site for residue GTP D 702
source : AC2
8) chain A
residue 156
type
sequence V
description binding site for residue F6G C 703
source : AC6
9) chain A
residue 157
type
sequence F
description binding site for residue F6G C 703
source : AC6
10) chain A
residue 372
type
sequence R
description binding site for residue F6G C 703
source : AC6
11) chain A
residue 376
type
sequence H
description binding site for residue F6G C 703
source : AC6
12) chain A
residue 377
type
sequence K
description binding site for residue F6G C 703
source : AC6
13) chain A
residue 117
type
sequence V
description binding site for residue F6G B 701
source : AC8
14) chain A
residue 119
type
sequence N
description binding site for residue F6G B 701
source : AC8
15) chain A
residue 523
type
sequence K
description binding site for residue GTP B 703
source : AD1
16) chain A
residue 333
type
sequence R
description binding site for residue F6G A 701
source : AD4
17) chain A
residue 337
type
sequence F
description binding site for residue F6G A 701
source : AD4
18) chain A
residue 352
type
sequence R
description binding site for residue F6G A 701
source : AD4
19) chain A
residue 354
type
sequence K
description binding site for residue F6G A 701
source : AD4
20) chain A
residue 523
type
sequence K
description binding site for residue F6G A 701
source : AD4
21) chain A
residue 149
type
sequence Q
description binding site for residue F6G A 703
source : AD6
22) chain A
residue 150
type
sequence L
description binding site for residue F6G A 703
source : AD6
23) chain A
residue 164
type
sequence R
description binding site for residue F6G A 703
source : AD6
24) chain A
residue 206
type
sequence R
description binding site for residue F6G A 703
source : AD6
25) chain A
residue 215
type
sequence H
description binding site for residue F6G A 703
source : AD6
26) chain A
residue 233
type
sequence H
description binding site for residue F6G A 703
source : AD6
27) chain A
residue 311
type
sequence D
description binding site for residue F6G A 703
source : AD6
28) chain A
residue 312
type
sequence K
description binding site for residue F6G A 703
source : AD6
29) chain A
residue 315
type
sequence Y
description binding site for residue F6G A 703
source : AD6
30) chain A
residue 319
type
sequence D
description binding site for residue F6G A 703
source : AD6
31) chain A
residue 366
type
sequence R
description binding site for residue F6G A 703
source : AD6
32) chain A
residue 370
type
sequence H
description binding site for residue F6G A 703
source : AD6
33) chain A
residue 374
type
sequence Y
description binding site for residue F6G A 703
source : AD6
34) chain A
residue 375
type
sequence Q
description binding site for residue F6G A 703
source : AD6
35) chain A
residue 155
type
sequence Y
description binding site for residue GTP A 704
source : AD7
36) chain A
residue 156
type
sequence V
description binding site for residue GTP A 704
source : AD7
37) chain A
residue 451
type
sequence R
description binding site for residue GTP A 704
source : AD7
38) chain A
residue 455
type
sequence K
description binding site for residue GTP A 704
source : AD7
39) chain A
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
40) chain A
residue 233
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000305|PubMed:22056990
source Swiss-Prot : SWS_FT_FI1
41) chain A
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
42) chain A
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
43) chain A
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
44) chain A
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
45) chain A
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
46) chain A
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
47) chain A
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
48) chain A
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
49) chain A
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
50) chain A
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
51) chain A
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
52) chain A
residue 149
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
53) chain A
residue 164
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
54) chain A
residue 210
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
55) chain A
residue 309
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
56) chain A
residue 315
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
57) chain A
residue 319
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
58) chain A
residue 366
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
59) chain A
residue 370
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:24141705
source Swiss-Prot : SWS_FT_FI4
60) chain A
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
61) chain A
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
62) chain A
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
63) chain A
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
64) chain A
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
65) chain A
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
66) chain A
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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