SIMILAR PATTERNS OF AMINO ACIDS FOR 5YWM_X_NIOX403

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  41
LYS A  56
ILE A  87
ASP A 171
 ANP  A 400 (-4.1A)
ANP  A 400 (-2.9A)
ANP  A 400 (-4.9A)
MG  A 402 (-2.3A)
 0.42A 5ywmX-1cm8A:
30.2		 5ywmX-1cm8A:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 VAL A  67
VAL A  80
LYS A  82
ILE A 111
 None
 0.56A 5ywmX-1kobA:
23.7		 5ywmX-1kobA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		4 VAL A  31
LYS A  44
ILE A 207
ASP A 208
 ADP  A 300 ( 4.8A)
ADP  A 300 (-2.7A)
ADP  A 300 (-4.1A)
MG  A 302 (-2.1A)
 0.66A 5ywmX-1l8tA:
4.7		 5ywmX-1l8tA:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		5 VAL A  53
LYS A  68
PHE A 113
ILE A 174
ASP A 175
 HNA  A 351 (-4.5A)
HNA  A 351 (-2.6A)
HNA  A 351 (-3.6A)
HNA  A 351 (-3.8A)
HNA  A 351 (-3.3A)
 0.30A 5ywmX-1m2pA:
47.2		 5ywmX-1m2pA:
70.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 VAL A  76
VAL A  67
ILE A  45
ILE A  50
 None
 0.79A 5ywmX-1nr6A:
undetectable		 5ywmX-1nr6A:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 VAL A 172
LYS A 187
PHE A 246
ASP A 550
 ADP  A 810 (-4.1A)
ADP  A 810 (-3.1A)
None
ADP  A 810 ( 3.0A)
 0.46A 5ywmX-1q8yA:
27.3		 5ywmX-1q8yA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		4 VAL A  42
LYS A  57
ILE A  89
ASP A 169
 None
 0.55A 5ywmX-1u5qA:
24.6		 5ywmX-1u5qA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ui1 URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		4 VAL A 118
ILE A  65
ILE A 178
ASP A 177
 None
 0.81A 5ywmX-1ui1A:
undetectable		 5ywmX-1ui1A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x5m CALCYCLIN-BINDING
PROTEIN

(Homo sapiens) 		PF04969
(CS) 		4 VAL A  41
VAL A  62
ILE A  20
ILE A  36
 None
 0.76A 5ywmX-1x5mA:
undetectable		 5ywmX-1x5mA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		5 VAL A 106
VAL A 118
LYS A 120
ILE A 234
ASP A 235
 ATP  A 286 (-4.6A)
ATP  A 286 (-4.9A)
ATP  A 286 (-2.6A)
ATP  A 286 (-4.5A)
ATP  A 286 ( 2.5A)
 0.63A 5ywmX-1zaoA:
10.9		 5ywmX-1zaoA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  42
ILE A  77
ILE A 160
ASP A 161
 None
 0.69A 5ywmX-1zwsA:
27.3		 5ywmX-1zwsA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zyl HYPOTHETICAL PROTEIN
YIHE

(Escherichia
coli) 		PF01636
(APH) 		4 VAL A  41
VAL A  53
PHE A 106
ASP A 217
 None
 0.60A 5ywmX-1zylA:
7.7		 5ywmX-1zylA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a1a INTERFERON-INDUCED,
DOUBLE-STRANDED
RNA-ACTIVATED
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL B 281
VAL B 294
LYS B 296
ASP B 432
 None
 0.45A 5ywmX-2a1aB:
22.1		 5ywmX-2a1aB:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
ILE A  77
ILE A 160
ASP A 161
 None
None
GOL  A3001 (-4.8A)
GOL  A3001 ( 3.9A)
None
 0.46A 5ywmX-2a2aA:
27.2		 5ywmX-2a2aA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e55 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF14681
(UPRTase) 		4 VAL A 125
VAL A 155
LYS A 153
PHE A 177
 None
 0.49A 5ywmX-2e55A:
undetectable		 5ywmX-2e55A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 170
LYS A 186
PHE A 236
ASP A 320
 None
 0.52A 5ywmX-2eu9A:
27.1		 5ywmX-2eu9A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 VAL A  27
LYS A  42
ILE A  72
ASP A 155
 ADP  A 500 (-4.3A)
ADP  A 500 (-2.9A)
None
ADP  A 500 ( 2.9A)
 0.57A 5ywmX-2f9gA:
22.8		 5ywmX-2f9gA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsi PUTATIVE PEPTIDASE
M23

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		4 VAL A 216
VAL A 214
ILE A 193
PHE A 226
 None
 0.73A 5ywmX-2hsiA:
undetectable		 5ywmX-2hsiA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  46
ILE A 100
ILE A 181
ASP A 182
 HB1  A1289 (-3.6A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.48A 5ywmX-2iwiA:
24.4		 5ywmX-2iwiA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lq8 TRANSCRIPTION
ANTITERMINATION
PROTEIN NUSG

(Thermotoga
maritima) 		PF00467
(KOW)
PF02357
(NusG) 		4 VAL A  80
VAL A  10
ILE A  40
ILE A  24
 None
 0.79A 5ywmX-2lq8A:
undetectable		 5ywmX-2lq8A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		4 VAL A  76
VAL A  67
ILE A  45
ILE A  50
 None
 0.77A 5ywmX-2nnjA:
undetectable		 5ywmX-2nnjA:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nrr UVRABC SYSTEM
PROTEIN C

(Thermotoga
maritima) 		PF08459
(UvrC_HhH_N) 		4 VAL A 461
VAL A 452
ILE A 483
PHE A 427
 None
 0.80A 5ywmX-2nrrA:
undetectable		 5ywmX-2nrrA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		5 VAL A  33
LYS A  48
ILE A  87
PHE A 103
ASP A 167
 ATP  A 381 (-4.1A)
ATP  A 381 (-3.2A)
None
None
MN  A 382 (-2.0A)
 0.49A 5ywmX-2phkA:
25.7		 5ywmX-2phkA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 VAL A  50
VAL A  61
LYS A  63
ILE A 254
ASP A 255
 ADP  A 999 (-4.3A)
ADP  A 999 (-4.6A)
ADP  A 999 (-2.7A)
ADP  A 999 ( 4.3A)
MG  A 500 (-1.8A)
 0.53A 5ywmX-2pywA:
3.3		 5ywmX-2pywA:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		4 VAL A 184
VAL A 370
ILE A  72
ILE A  69
 SR1  A 998 (-4.9A)
None
None
SR1  A 998 ( 4.8A)
 0.77A 5ywmX-2pywA:
3.3		 5ywmX-2pywA:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 VAL A  27
VAL A  18
ILE A 138
PHE A   5
 None
 0.61A 5ywmX-2qxlA:
undetectable		 5ywmX-2qxlA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzb UNCHARACTERIZED
PROTEIN YFEY

(Escherichia
coli) 		PF06572
(DUF1131) 		4 VAL A  87
LYS A  89
ILE A 114
ASP A 113
 None
 0.74A 5ywmX-2qzbA:
undetectable		 5ywmX-2qzbA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		6 VAL A 498
LYS A 511
ILE A 557
PHE A 605
ILE A 686
ASP A 687
 5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
 0.53A 5ywmX-2vuwA:
16.0		 5ywmX-2vuwA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
ILE A  77
ILE A 160
ASP A 161
 ADP  A1303 (-4.0A)
ADP  A1303 (-2.7A)
ADP  A1303 ( 4.2A)
ADP  A1303 ( 4.1A)
MG  A1304 ( 2.8A)
 0.58A 5ywmX-2w4kA:
27.0		 5ywmX-2w4kA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 120
LYS A 135
ILE A 164
ILE A 246
 16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
 0.70A 5ywmX-2x4fA:
26.3		 5ywmX-2x4fA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		4 VAL A  24
VAL A  38
ILE A 406
ASP A 407
 ADP  A 600 (-4.2A)
ADP  A 600 ( 4.9A)
ADP  A 600 ( 3.8A)
ADP  A 600 ( 2.1A)
 0.47A 5ywmX-2xalA:
4.3		 5ywmX-2xalA:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtl CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 VAL A 230
VAL A 197
LYS A 199
ASP A 247
 None
 0.79A 5ywmX-2xtlA:
undetectable		 5ywmX-2xtlA:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  38
ILE A  91
PHE A 107
ASP A 171
 None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
B49  A1294 (-4.2A)
 0.71A 5ywmX-2y7jA:
27.0		 5ywmX-2y7jA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
ILE A  77
ILE A 160
ASP A 161
 AMP  A1302 (-4.2A)
AMP  A1302 (-2.8A)
AMP  A1302 ( 3.8A)
AMP  A1302 (-4.0A)
AMP  A1302 (-3.1A)
 0.55A 5ywmX-2yabA:
27.3		 5ywmX-2yabA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		4 VAL A  50
VAL A  59
ILE A 312
ILE A 319
 None
 0.78A 5ywmX-2z3tA:
undetectable		 5ywmX-2z3tA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 539
LYS A 553
ILE A 586
ILE A 663
 None
7PE  A   1 (-2.6A)
None
7PE  A   1 (-4.7A)
 0.59A 5ywmX-2zmcA:
21.0		 5ywmX-2zmcA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 VAL A 264
VAL A 129
LYS A 131
ASP A 305
 None
 0.80A 5ywmX-3actA:
undetectable		 5ywmX-3actA:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  42
ILE A  77
ILE A 160
ASP A 161
 4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
 0.29A 5ywmX-3bqrA:
23.4		 5ywmX-3bqrA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  27
LYS A  42
ILE A  77
ILE A 160
 4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-3.5A)
 0.36A 5ywmX-3bqrA:
23.4		 5ywmX-3bqrA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		4 VAL A 171
ILE A 152
PHE A 157
ILE A 258
 None
 0.76A 5ywmX-3dclA:
undetectable		 5ywmX-3dclA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A1013
VAL A1026
LYS A1028
ILE A1065
ILE A1145
ASP A1146
 ADP  A   1 ( 4.5A)
ADP  A   1 ( 4.4A)
ADP  A   1 (-3.0A)
ADP  A   1 (-4.0A)
ADP  A   1 (-4.0A)
MG  A   8 (-2.3A)
 0.49A 5ywmX-3dlsA:
24.4		 5ywmX-3dlsA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e19 FEOA

(Thermococcus
thioreducens) 		PF04023
(FeoA) 		4 VAL A  74
VAL A  72
ILE A  64
ILE A  55
 None
 0.78A 5ywmX-3e19A:
undetectable		 5ywmX-3e19A:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL X  54
VAL X  67
ILE X  96
PHE X 114
ILE X 175
ASP X 176
 CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.8A)
CCK  X 351 (-3.9A)
CCK  X 351 (-4.1A)
 1.04A 5ywmX-3e3bX:
40.8		 5ywmX-3e3bX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL X  54
VAL X  67
LYS X  69
ILE X  96
PHE X 114
ILE X 175
 CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.3A)
CCK  X 351 (-3.5A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.8A)
CCK  X 351 (-3.9A)
 0.88A 5ywmX-3e3bX:
40.8		 5ywmX-3e3bX:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  52
LYS A  67
ILE A 104
ILE A 185
ASP A 186
 985  A   1 (-4.5A)
985  A   1 ( 2.8A)
985  A   1 ( 4.7A)
985  A   1 (-3.7A)
985  A   1 ( 4.0A)
 0.48A 5ywmX-3f2aA:
19.1		 5ywmX-3f2aA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 VAL A  42
LYS A  57
ILE A  86
ILE A 168
 DRK  A   1 ( 4.9A)
DRK  A   1 (-4.1A)
DRK  A   1 ( 4.8A)
DRK  A   1 ( 4.2A)
 0.47A 5ywmX-3f3zA:
26.1		 5ywmX-3f3zA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 VAL A 103
VAL A 108
ILE A 186
ILE A 282
 None
 0.80A 5ywmX-3gf7A:
undetectable		 5ywmX-3gf7A:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0y PUTATIVE POLYKETIDE
CYCLASE

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		4 VAL A  72
VAL A  81
ILE A 121
PHE A 114
 None
 0.61A 5ywmX-3i0yA:
undetectable		 5ywmX-3i0yA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  90
LYS A 105
ILE A 218
ASP A 219
 ANP  A 610 (-3.9A)
ANP  A 610 (-2.8A)
ANP  A 610 ( 4.4A)
ANP  A 610 ( 2.7A)
 0.68A 5ywmX-3igoA:
14.8		 5ywmX-3igoA:
8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 VAL A 149
VAL A 162
LYS A 164
ILE A 194
ILE A 280
 ANP  A   1 (-4.9A)
ANP  A   1 (-4.4A)
GOL  A 398 ( 3.1A)
ANP  A   1 (-4.8A)
ANP  A   1 (-4.2A)
 0.56A 5ywmX-3is5A:
18.0		 5ywmX-3is5A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		4 VAL A 161
VAL A 159
ILE A  68
ILE A  46
 None
 0.72A 5ywmX-3khjA:
undetectable		 5ywmX-3khjA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l9c 3-DEHYDROQUINATE
DEHYDRATASE

(Streptococcus
mutans) 		PF01487
(DHquinase_I) 		4 VAL A 174
VAL A 141
LYS A 143
ILE A  58
 None
 0.72A 5ywmX-3l9cA:
undetectable		 5ywmX-3l9cA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 LYS A 581
PHE A 630
ILE A 719
ASP A 720
 ANP  A 877 (-2.7A)
None
ANP  A 877 ( 4.3A)
ANP  A 877 (-2.9A)
 0.60A 5ywmX-3lltA:
26.3		 5ywmX-3lltA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 VAL A 566
LYS A 581
PHE A 630
ILE A 719
 ANP  A 877 (-4.1A)
ANP  A 877 (-2.7A)
None
ANP  A 877 ( 4.3A)
 0.45A 5ywmX-3lltA:
26.3		 5ywmX-3lltA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  33
LYS A  48
PHE A 103
ASP A 167
 None
 0.57A 5ywmX-3mi9A:
31.3		 5ywmX-3mi9A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  71
LYS A  86
ILE A 128
ASP A 211
 ANP  A1634 (-4.1A)
ANP  A1634 (-3.1A)
None
MG  A 529 (-2.2A)
 0.59A 5ywmX-3q5iA:
24.8		 5ywmX-3q5iA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qzb PUTATIVE SUPEROXIDE
REDUCTASE

(Thermotoga
maritima) 		PF01880
(Desulfoferrodox) 		4 VAL A  71
VAL A 101
ILE A 127
ILE A 109
 None
 0.74A 5ywmX-3qzbA:
undetectable		 5ywmX-3qzbA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3toe DNA/RNA-BINDING
PROTEIN ALBA

(Methanothermobacter
thermautotrophicus) 		PF01918
(Alba) 		4 VAL A  32
VAL A  21
ILE A  56
ILE A  59
 None
 0.80A 5ywmX-3toeA:
undetectable		 5ywmX-3toeA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		4 VAL A 210
VAL A 250
ILE A 127
PHE A 268
 None
 0.63A 5ywmX-3ujhA:
undetectable		 5ywmX-3ujhA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  18
LYS A  33
PHE A  79
ASP A 143
 38R  A 350 ( 4.8A)
38R  A 350 (-2.9A)
38R  A 350 (-4.1A)
NA  A 353 ( 2.5A)
 0.47A 5ywmX-3zduA:
26.8		 5ywmX-3zduA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		4 VAL V  52
VAL V  87
ILE V  78
ILE V  74
 None
 0.78A 5ywmX-4a2iV:
undetectable		 5ywmX-4a2iV:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		4 VAL A 250
LYS A 252
ILE A 368
ASP A 369
 ATP  A1450 ( 4.8A)
ATP  A1450 (-2.9A)
ATP  A1450 (-4.2A)
MG  A1453 (-2.0A)
 0.60A 5ywmX-4azwA:
9.3		 5ywmX-4azwA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci6 PROTEIN KINASE YOPO

(Yersinia
enterocolitica) 		PF00069
(Pkinase)
PF09632
(Rac1) 		4 VAL B 158
LYS B 160
ILE B 285
ASP B 286
 None
 0.69A 5ywmX-4ci6B:
18.2		 5ywmX-4ci6B:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ez5 CYCLIN-DEPENDENT
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  27
LYS A  43
PHE A  98
ASP A 163
 None
0RS  A 900 (-3.3A)
0RS  A 900 (-4.5A)
0RS  A 900 (-3.6A)
 0.65A 5ywmX-4ez5A:
21.5		 5ywmX-4ez5A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		4 VAL A 186
VAL A 198
ILE A 337
ASP A 338
 None
None
None
MG  A 601 (-2.6A)
 0.36A 5ywmX-4ix3A:
21.2		 5ywmX-4ix3A:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jin RIO-TYPE
SERINE/THREONINE-PRO
TEIN KINASE RIO1

(Archaeoglobus
fulgidus) 		PF01163
(RIO1) 		4 VAL A  63
LYS A  80
ILE A 211
ASP A 212
 1L7  A 301 ( 4.8A)
1L7  A 301 (-2.8A)
1L7  A 301 (-4.4A)
1L7  A 301 (-3.6A)
 0.77A 5ywmX-4jinA:
6.1		 5ywmX-4jinA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 VAL A  54
VAL A  67
LYS A  69
ILE A 134
PHE A 152
ILE A 213
ASP A 214
 GNP  A 401 (-4.2A)
GNP  A 401 (-4.8A)
GNP  A 401 (-3.3A)
None
None
GNP  A 401 (-4.6A)
GNP  A 401 ( 2.7A)
 0.31A 5ywmX-4jr7A:
44.5		 5ywmX-4jr7A:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 486
LYS A 508
ILE A 539
ASP A 635
 ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
MG  A 802 ( 3.0A)
 0.70A 5ywmX-4k33A:
9.8		 5ywmX-4k33A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrj EFFECTOR NLEH1

(Escherichia
coli) 		no annotation 4 VAL A 147
VAL A 157
LYS A 159
ILE A 257
 ANP  A 301 (-4.2A)
ANP  A 301 (-4.9A)
ANP  A 301 (-3.6A)
ANP  A 301 (-4.2A)
 0.43A 5ywmX-4lrjA:
8.6		 5ywmX-4lrjA:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL E  53
VAL E  66
LYS E  68
ILE E  95
PHE E 113
ILE E 174
ASP E 175
 None
 0.43A 5ywmX-4md8E:
47.0		 5ywmX-4md8E:
77.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o96 TYPE III EFFECTOR
PROTEIN KINASE

(Escherichia
coli) 		no annotation 5 VAL A 157
VAL A 167
LYS A 169
ILE A 267
ASP A 268
 GOL  A 401 ( 4.9A)
GOL  A 401 (-4.7A)
None
GOL  A 401 (-4.6A)
None
 1.03A 5ywmX-4o96A:
9.3		 5ywmX-4o96A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		4 VAL A  20
VAL A 284
ILE A 315
PHE A 285
 None
 0.79A 5ywmX-4p0fA:
undetectable		 5ywmX-4p0fA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 801
VAL A 819
LYS A 821
ILE A 945
ASP A 946
 ADP  A1501 (-3.8A)
None
ADP  A1501 (-2.7A)
ADP  A1501 ( 3.9A)
MG  A1503 (-1.7A)
 0.57A 5ywmX-4qpmA:
18.5		 5ywmX-4qpmA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		4 VAL A  30
LYS A  52
ILE A 181
ASP A 182
 AMP  A 301 (-4.4A)
AMP  A 301 (-2.8A)
AMP  A 301 ( 4.3A)
AMP  A 301 (-3.4A)
 0.56A 5ywmX-4ww7A:
6.7		 5ywmX-4ww7A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0x SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16919
(PknG_rubred) 		4 VAL A 179
LYS A 181
ILE A 292
ASP A 293
 ADP  A 501 (-4.7A)
ADP  A 501 (-2.7A)
ADP  A 501 ( 4.2A)
MG  A 504 (-2.3A)
 0.80A 5ywmX-4y0xA:
15.1		 5ywmX-4y0xA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 477
LYS A 490
ILE A 522
ASP A 606
 None
4CV  A 801 (-3.9A)
4CV  A 801 ( 4.2A)
4CV  A 801 (-3.5A)
 0.72A 5ywmX-4yffA:
22.0		 5ywmX-4yffA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylj DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 1A

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 173
LYS A 188
PHE A 238
ASP A 307
 4E1  A 505 (-4.5A)
4E1  A 505 (-2.7A)
4E1  A 505 (-4.2A)
4E1  A 505 (-3.6A)
 0.38A 5ywmX-4yljA:
28.1		 5ywmX-4yljA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  42
LYS A  57
ILE A 171
ASP A 172
 ADP  A 506 (-4.3A)
ADP  A 506 (-2.4A)
ADP  A 506 (-4.5A)
ADP  A 506 ( 2.4A)
 0.54A 5ywmX-4ysjA:
27.6		 5ywmX-4ysjA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zev PFHAD1

(Plasmodium
falciparum) 		PF08282
(Hydrolase_3) 		4 VAL A 198
VAL A 206
ILE A 124
PHE A 174
 None
 0.60A 5ywmX-4zevA:
undetectable		 5ywmX-4zevA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Oceanimonas
doudoroffii) 		PF00171
(Aldedh) 		4 VAL A 393
VAL A 287
ILE A 403
ASP A 401
 None
 0.75A 5ywmX-4zz7A:
undetectable		 5ywmX-4zz7A:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bjx WLAL PROTEIN

(Campylobacter
jejuni) 		no annotation 4 VAL A 391
VAL A 429
ILE A 546
PHE A 489
 None
 0.77A 5ywmX-5bjxA:
undetectable		 5ywmX-5bjxA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 LYS A 563
ILE A 595
ILE A 674
ASP A 675
 4ZS  A 901 (-3.9A)
4ZS  A 901 (-4.3A)
4ZS  A 901 (-3.9A)
None
 0.60A 5ywmX-5ezrA:
22.3		 5ywmX-5ezrA:
9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 VAL A 548
LYS A 563
ILE A 595
ILE A 674
 4ZS  A 901 (-4.8A)
4ZS  A 901 (-3.9A)
4ZS  A 901 (-4.3A)
4ZS  A 901 (-3.9A)
 0.41A 5ywmX-5ezrA:
22.3		 5ywmX-5ezrA:
9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 911
LYS A 930
ILE A 960
ASP A1041
 5U3  A1200 ( 4.4A)
None
5U3  A1200 (-4.6A)
5U3  A1200 ( 4.9A)
 0.61A 5ywmX-5f1zA:
23.4		 5ywmX-5f1zA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		4 VAL A 325
VAL A 321
ILE A 130
ASP A 127
 None
None
HDH  A 600 ( 4.0A)
None
 0.72A 5ywmX-5h6sA:
undetectable		 5ywmX-5h6sA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 VAL A  28
LYS A  43
PHE A  90
ASP A 157
 ADP  A 301 (-3.7A)
ADP  A 301 (-2.7A)
None
MG  A 302 ( 3.3A)
 0.39A 5ywmX-5hu3A:
27.6		 5ywmX-5hu3A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  52
ILE A  79
PHE A  97
ASP A 173
 6A7  A 401 ( 2.9A)
6A7  A 401 (-4.2A)
6A7  A 401 (-3.8A)
FMT  A 403 ( 3.3A)
 0.59A 5ywmX-5idnA:
16.1		 5ywmX-5idnA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  35
LYS A  52
ILE A  79
PHE A  97
 6A7  A 401 ( 4.5A)
6A7  A 401 ( 2.9A)
6A7  A 401 (-4.2A)
6A7  A 401 (-3.8A)
 0.40A 5ywmX-5idnA:
16.1		 5ywmX-5idnA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 163
LYS A 178
ILE A 212
PHE A 228
ILE A 294
ASP A 295
 7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-4.8A)
7A7  A 501 (-3.7A)
7A7  A 501 (-4.2A)
7A7  A 501 (-3.2A)
 0.44A 5ywmX-5lxdA:
27.2		 5ywmX-5lxdA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  53
VAL A  66
LYS A  68
ILE A  95
PHE A 113
ILE A 174
ASP A 175
 None
HC4  A 401 (-4.4A)
HC4  A 401 (-2.7A)
HC4  A 401 ( 4.5A)
HC4  A 401 (-3.4A)
HC4  A 401 ( 3.7A)
HC4  A 401 (-4.0A)
 0.33A 5ywmX-5movA:
47.3		 5ywmX-5movA:
25.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 VAL E 108
ILE E 173
ILE E 242
ASP E 241
 None
 0.68A 5ywmX-5n6yE:
undetectable		 5ywmX-5n6yE:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 5 VAL A  52
LYS A  67
ILE A 104
ILE A 185
ASP A 186
 7LK  A 401 (-4.9A)
None
7LK  A 401 (-4.8A)
7LK  A 401 ( 4.3A)
None
 0.47A 5ywmX-5turA:
24.9		 5ywmX-5turA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w2h INOSITOL
POLYPHOSPHATE
MULTIKINASE,INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Homo sapiens) 		PF03770
(IPK) 		4 VAL A  73
LYS A  75
ILE A 274
ASP A 275
 None
ADP  A 503 (-2.7A)
ADP  A 503 ( 4.3A)
MG  A 502 (-2.2A)
 0.59A 5ywmX-5w2hA:
7.0		 5ywmX-5w2hA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 VAL A  57
LYS A  72
ILE A  99
PHE A 117
ILE A 178
 ATP  A 403 (-3.9A)
ATP  A 403 (-3.2A)
ATP  A 403 (-4.9A)
None
ATP  A 403 ( 4.5A)
 0.30A 5ywmX-5xvuA:
45.1		 5ywmX-5xvuA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 6 VAL A 223
LYS A 238
ILE A 272
PHE A 288
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-3.6A)
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.37A 5ywmX-5y86A:
27.4		 5ywmX-5y86A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 4 VAL A 741
LYS A 756
PHE A 813
ASP A 877
 None
None
CJM  A1102 ( 4.4A)
MG  A1101 (-2.5A)
 0.46A 5ywmX-6b3eA:
32.1		 5ywmX-6b3eA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 4 VAL A 539
LYS A 553
ILE A 586
ILE A 663
 CQ7  A 801 ( 4.8A)
CQ7  A 801 (-3.2A)
CQ7  A 801 ( 4.5A)
CQ7  A 801 (-3.7A)
 0.43A 5ywmX-6b4wA:
16.4		 5ywmX-6b4wA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 4 VAL A 179
LYS A 194
PHE A 267
ASP A 330
 F6J  A 501 (-4.6A)
F6J  A 501 (-2.9A)
F6J  A 501 (-3.7A)
F6J  A 501 (-3.8A)
 0.61A 5ywmX-6cmjA:
25.1		 5ywmX-6cmjA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 VAL A 175
LYS A 191
PHE A 241
ASP A 325
 None
EAQ  A 501 (-3.2A)
EAQ  A 501 (-3.5A)
EAQ  A 501 (-4.6A)
 0.50A 5ywmX-6fyoA:
27.8		 5ywmX-6fyoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 VAL A 175
LYS A 191
PHE A 241
ASP A 325
 3NG  A 501 ( 4.3A)
3NG  A 501 (-2.7A)
3NG  A 501 (-3.5A)
3NG  A 501 (-4.3A)
 0.53A 5ywmX-6fyvA:
27.8		 5ywmX-6fyvA:
undetectable