SIMILAR PATTERNS OF AMINO ACIDS FOR 3WAR_A_NIOA401

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.59A 3warA-1cm8A:
29.8		 3warA-1cm8A:
30.15
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		4 VAL A  14
VAL A  76
PHE A 113
ILE A 125
 None
 0.61A 3warA-1cvrA:
undetectable		 3warA-1cvrA:
20.56
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.
1cz4 VCP-LIKE ATPASE

(Thermoplasma
acidophilum) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 VAL A  87
VAL A  85
MET A  73
ILE A  69
 None
 0.75A 3warA-1cz4A:
undetectable		 3warA-1cz4A:
19.48
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 217
VAL A 222
ILE A 184
ASP A 185
 None
 0.78A 3warA-1i41A:
undetectable		 3warA-1i41A:
20.13
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
 0.37A 3warA-1kobA:
23.9		 3warA-1kobA:
24.05
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.
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)
 0.58A 3warA-1l8tA:
9.2		 3warA-1l8tA:
21.64
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) 		6 VAL A  53
LYS A  68
PHE A 113
MET A 163
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 (-3.8A)
HNA  A 351 (-3.3A)
 0.46A 3warA-1m2pA:
50.0		 3warA-1m2pA:
76.45
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 VAL A 227
VAL A 188
ILE A 171
ILE A 136
 None
 0.77A 3warA-1p31A:
undetectable		 3warA-1p31A:
21.60
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.
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)
 0.56A 3warA-1q8yA:
21.5		 3warA-1q8yA:
27.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  26
LYS A  41
ILE A  75
PHE A  91
 ATP  A 381 (-4.0A)
ATP  A 381 (-2.9A)
None
None
 0.69A 3warA-1ua2A:
25.3		 3warA-1ua2A:
30.18
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.
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)
 0.60A 3warA-1zaoA:
6.1		 3warA-1zaoA:
21.64
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 VAL A  27
LYS A  42
ILE A  77
ILE A 160
 None
 0.67A 3warA-1zwsA:
27.6		 3warA-1zwsA:
27.37
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
 0.63A 3warA-1zylA:
8.4		 3warA-1zylA:
21.11
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.
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
 0.35A 3warA-2a1aB:
22.7		 3warA-2a1aB:
25.07
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.
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
 0.60A 3warA-2a2aA:
27.5		 3warA-2a2aA:
25.26
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
MET A 146
ILE A 160
ASP A 161
 None
None
GOL  A3001 (-4.4A)
GOL  A3001 ( 3.9A)
None
 0.66A 3warA-2a2aA:
27.5		 3warA-2a2aA:
25.26
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
 0.41A 3warA-2e55A:
undetectable		 3warA-2e55A:
22.19
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
 0.54A 3warA-2eu9A:
28.7		 3warA-2eu9A:
26.27
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.
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)
 0.75A 3warA-2f9gA:
28.6		 3warA-2f9gA:
29.49
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.
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)
 0.71A 3warA-2iwiA:
24.4		 3warA-2iwiA:
24.03
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.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 1

(Pyrococcus
furiosus) 		PF01868
(UPF0086) 		4 VAL A  70
VAL A  53
ILE A 106
ILE A  43
 None
 0.75A 3warA-2ki7A:
undetectable		 3warA-2ki7A:
17.07
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.
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)
 0.57A 3warA-2phkA:
26.4		 3warA-2phkA:
24.44
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		6 VAL A  50
VAL A  61
LYS A  63
MET A 245
ILE A 254
ASP A 255
 ADP  A 999 (-4.3A)
ADP  A 999 (-4.6A)
ADP  A 999 (-2.7A)
ADP  A 999 (-3.5A)
ADP  A 999 ( 4.3A)
MG  A 500 (-1.8A)
 0.58A 3warA-2pywA:
9.7		 3warA-2pywA:
22.42
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		4 VAL A 213
VAL A 279
ILE A 234
ILE A 253
 None
 0.76A 3warA-2q7nA:
undetectable		 3warA-2q7nA:
21.24
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)
 0.60A 3warA-2vuwA:
16.5		 3warA-2vuwA:
22.49
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A  42
ILE A  77
MET A 146
ILE A 160
ASP A 161
 ADP  A1303 (-2.7A)
ADP  A1303 ( 4.2A)
ADP  A1303 (-4.2A)
ADP  A1303 ( 4.1A)
MG  A1304 ( 2.8A)
 0.77A 3warA-2w4kA:
27.2		 3warA-2w4kA:
26.25
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
MET A 146
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)
 0.74A 3warA-2w4kA:
27.2		 3warA-2w4kA:
26.25
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.
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)
 0.78A 3warA-2x4fA:
25.4		 3warA-2x4fA:
26.88
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) 		5 VAL A  24
VAL A  38
MET A 372
ILE A 406
ASP A 407
 ADP  A 600 (-4.2A)
ADP  A 600 ( 4.9A)
ADP  A 600 (-3.5A)
ADP  A 600 ( 3.8A)
ADP  A 600 ( 2.1A)
 0.67A 3warA-2xalA:
4.8		 3warA-2xalA:
21.77
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		5 LYS A  42
ILE A  77
MET A 146
ILE A 160
ASP A 161
 AMP  A1302 (-2.8A)
AMP  A1302 ( 3.8A)
AMP  A1302 ( 4.0A)
AMP  A1302 (-4.0A)
AMP  A1302 (-3.1A)
 0.71A 3warA-2yabA:
27.4		 3warA-2yabA:
25.43
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
MET A 146
ILE A 160
ASP A 161
 AMP  A1302 (-4.2A)
AMP  A1302 (-2.8A)
AMP  A1302 ( 4.0A)
AMP  A1302 (-4.0A)
AMP  A1302 (-3.1A)
 0.68A 3warA-2yabA:
27.4		 3warA-2yabA:
25.43
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.
2z99 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF04079
(SMC_ScpB) 		4 VAL A 132
VAL A 127
PHE A 167
ILE A 153
 None
 0.74A 3warA-2z99A:
undetectable		 3warA-2z99A:
20.17
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)
 0.65A 3warA-2zmcA:
21.1		 3warA-2zmcA:
24.08
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
 0.70A 3warA-3actA:
undetectable		 3warA-3actA:
17.64
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) 		5 LYS A  42
ILE A  77
MET A 146
ILE A 160
ASP A 161
 4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
 0.38A 3warA-3bqrA:
24.5		 3warA-3bqrA:
27.84
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  27
LYS A  42
ILE A  77
MET A 146
ILE A 160
 4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
 0.38A 3warA-3bqrA:
24.5		 3warA-3bqrA:
27.84
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		4 VAL A 171
ILE A 152
PHE A 157
ILE A 258
 None
 0.69A 3warA-3dclA:
undetectable		 3warA-3dclA:
21.94
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 3warA-3dlsA:
24.0		 3warA-3dlsA:
25.28
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
ILE X  96
PHE X 114
MET X 164
ILE X 175
ASP X 176
 CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.8A)
CCK  X 351 (-3.5A)
CCK  X 351 (-3.9A)
CCK  X 351 (-4.1A)
 0.90A 3warA-3e3bX:
47.8		 3warA-3e3bX:
85.55
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) 		5 VAL X  54
LYS X  69
ILE X  96
PHE X 114
MET X 164
 CCK  X 351 ( 4.3A)
CCK  X 351 (-3.5A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.8A)
CCK  X 351 (-3.5A)
 0.70A 3warA-3e3bX:
47.8		 3warA-3e3bX:
85.55
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
MET X 164
ILE X 175
ASP X 176
 CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.5A)
CCK  X 351 (-3.9A)
CCK  X 351 (-4.1A)
 0.82A 3warA-3e3bX:
47.8		 3warA-3e3bX:
85.55
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) 		5 VAL X  54
VAL X  67
LYS X  69
ILE X  96
MET X 164
 CCK  X 351 ( 4.3A)
CCK  X 351 ( 4.3A)
CCK  X 351 (-3.5A)
CCK  X 351 ( 4.6A)
CCK  X 351 (-3.5A)
 0.65A 3warA-3e3bX:
47.8		 3warA-3e3bX:
85.55
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.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		4 VAL A  76
VAL A 165
ILE A 208
ILE A 182
 None
 0.66A 3warA-3ec1A:
undetectable		 3warA-3ec1A:
20.48
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.
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)
 0.45A 3warA-3f2aA:
25.4		 3warA-3f2aA:
25.00
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.
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)
 0.55A 3warA-3f3zA:
26.5		 3warA-3f3zA:
26.06
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.
3i0y PUTATIVE POLYKETIDE
CYCLASE

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		4 VAL A  72
VAL A  81
ILE A 121
PHE A 114
 None
 0.50A 3warA-3i0yA:
undetectable		 3warA-3i0yA:
18.31
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)
 0.46A 3warA-3is5A:
23.7		 3warA-3is5A:
24.58
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.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 VAL A 649
LYS A 667
ILE A 697
ASP A 778
 None
 0.47A 3warA-3kulA:
23.2		 3warA-3kulA:
24.41
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.
3l9c 3-DEHYDROQUINATE
DEHYDRATASE

(Streptococcus
mutans) 		PF01487
(DHquinase_I) 		4 VAL A 174
VAL A 141
LYS A 143
ILE A  58
 None
 0.59A 3warA-3l9cA:
undetectable		 3warA-3l9cA:
22.51
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.
3le2 SERPIN-ZX

(Arabidopsis
thaliana) 		PF00079
(Serpin) 		4 VAL A 372
ILE A  32
PHE A 382
ILE A 331
 None
 0.77A 3warA-3le2A:
undetectable		 3warA-3le2A:
20.62
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 VAL A  18
VAL A  40
ILE A 218
PHE A 224
 None
 0.75A 3warA-3ljpA:
undetectable		 3warA-3ljpA:
22.47
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.
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)
 0.52A 3warA-3lltA:
27.5		 3warA-3lltA:
27.76
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  33
LYS A  48
PHE A 103
ASP A 167
 None
 0.48A 3warA-3mi9A:
30.8		 3warA-3mi9A:
27.13
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A  29
VAL A  10
MET A  85
ILE A  66
 None
 0.67A 3warA-3mqtA:
undetectable		 3warA-3mqtA:
21.14
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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 VAL A 893
VAL A 921
ILE A1070
PHE A1048
 None
 0.73A 3warA-3n7kA:
undetectable		 3warA-3n7kA:
21.78
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycolicibacterium
smegmatis) 		PF01791
(DeoC) 		4 VAL A 183
VAL A 159
ILE A 114
ASP A 153
 None
 0.77A 3warA-3ndoA:
undetectable		 3warA-3ndoA:
18.60
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.
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)
 0.68A 3warA-3q5iA:
25.7		 3warA-3q5iA:
23.20
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 VAL A 282
VAL A  13
ILE A 271
PHE A  39
 None
FAD  A 601 (-4.7A)
None
None
 0.62A 3warA-3x0vA:
undetectable		 3warA-3x0vA:
21.10
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.
3zcw KINESIN-LIKE PROTEIN
KIF11

(Homo sapiens) 		PF00225
(Kinesin) 		4 VAL A 210
VAL A 204
LYS A 207
ILE A 143
 None
 0.75A 3warA-3zcwA:
undetectable		 3warA-3zcwA:
23.12
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)
 0.52A 3warA-3zduA:
28.6		 3warA-3zduA:
26.18
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.
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)
 0.56A 3warA-4azwA:
9.6		 3warA-4azwA:
21.16
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.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		4 VAL A 250
MET A 358
ILE A 368
ASP A 369
 ATP  A1450 ( 4.8A)
ATP  A1450 ( 4.2A)
ATP  A1450 (-4.2A)
MG  A1453 (-2.0A)
 0.68A 3warA-4azwA:
9.6		 3warA-4azwA:
21.16
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.
4ce5 AT-OMEGATA

(Aspergillus
terreus) 		PF01063
(Aminotran_4) 		4 VAL A 222
VAL A 220
ILE A 279
ILE A 302
 None
 0.75A 3warA-4ce5A:
undetectable		 3warA-4ce5A:
18.93
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.
4ci6 PROTEIN KINASE YOPO

(Yersinia
enterocolitica) 		PF00069
(Pkinase)
PF09632
(Rac1) 		4 VAL B 158
LYS B 160
ILE B 285
ASP B 286
 None
 0.71A 3warA-4ci6B:
18.0		 3warA-4ci6B:
21.59
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  23
LYS A  38
MET A 142
ASP A 157
 BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 0.72A 3warA-4eutA:
11.1		 3warA-4eutA:
24.71
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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  23
LYS A  38
MET A 142
ASP A 157
 BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
BX7  A 401 (-4.0A)
BX7  A 401 (-3.6A)
 0.61A 3warA-4euuA:
16.2		 3warA-4euuA:
24.93
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		4 VAL A 285
VAL A 277
LYS A 279
ILE A 224
 None
None
CL  A 305 ( 4.3A)
None
 0.73A 3warA-4exlA:
undetectable		 3warA-4exlA:
20.86
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.
4fvv NEUROTOXIN

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 VAL A 889
VAL A 917
ILE A1066
PHE A1044
 None
 0.76A 3warA-4fvvA:
undetectable		 3warA-4fvvA:
21.35
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		4 VAL A 184
VAL A 139
ILE A  12
ILE A  23
 None
 0.77A 3warA-4ituA:
undetectable		 3warA-4ituA:
20.56
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.
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)
 0.47A 3warA-4ix3A:
15.3		 3warA-4ix3A:
24.94
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) 		5 VAL A  63
LYS A  80
MET A 203
ILE A 211
ASP A 212
 1L7  A 301 ( 4.8A)
1L7  A 301 (-2.8A)
1L7  A 301 ( 4.3A)
1L7  A 301 (-4.4A)
1L7  A 301 (-3.6A)
 0.89A 3warA-4jinA:
5.2		 3warA-4jinA:
24.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		8 VAL A  54
VAL A  67
LYS A  69
ILE A 134
PHE A 152
MET A 202
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 (-3.6A)
GNP  A 401 (-4.6A)
GNP  A 401 ( 2.7A)
 0.30A 3warA-4jr7A:
46.1		 3warA-4jr7A:
56.99
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.
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)
 0.58A 3warA-4lrjA:
9.8		 3warA-4lrjA:
19.88
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) 		8 VAL E  53
VAL E  66
LYS E  68
ILE E  95
PHE E 113
MET E 163
ILE E 174
ASP E 175
 None
 0.39A 3warA-4md8E:
51.6		 3warA-4md8E:
99.70
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
 1.11A 3warA-4o96A:
9.8		 3warA-4o96A:
19.47
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.
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
 0.78A 3warA-4p0fA:
undetectable		 3warA-4p0fA:
22.20
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.
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)
 0.67A 3warA-4qpmA:
19.1		 3warA-4qpmA:
22.81
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		4 VAL A 221
VAL A 219
ILE A 278
ILE A 301
 None
 0.74A 3warA-4uugA:
undetectable		 3warA-4uugA:
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.
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)
 0.42A 3warA-4ww7A:
5.9		 3warA-4ww7A:
22.83
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.
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)
 0.72A 3warA-4y0xA:
14.5		 3warA-4y0xA:
23.19
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)
 0.61A 3warA-4yffA:
22.5		 3warA-4yffA:
21.28
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)
 0.44A 3warA-4yljA:
29.4		 3warA-4yljA:
28.57
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.
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)
 0.62A 3warA-4ysjA:
27.6		 3warA-4ysjA:
22.85
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
 0.50A 3warA-4zevA:
undetectable		 3warA-4zevA:
21.65
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)
 0.56A 3warA-5ezrA:
23.5		 3warA-5ezrA:
17.89
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)
 0.48A 3warA-5hu3A:
27.5		 3warA-5hu3A:
25.48
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.
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)
 0.31A 3warA-5idnA:
19.5		 3warA-5idnA:
27.96
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.
5kiq PLATELET-BINDING
GLYCOPROTEIN

(Streptococcus
sanguinis) 		no annotation 4 VAL A 326
VAL A 324
ILE A 259
ILE A 349
 None
 0.73A 3warA-5kiqA:
undetectable		 3warA-5kiqA:
17.94
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) 		5 LYS A 178
ILE A 212
PHE A 228
ILE A 294
ASP A 295
 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)
 0.58A 3warA-5lxdA:
28.8		 3warA-5lxdA:
27.27
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 163
LYS A 178
PHE A 228
ILE A 294
ASP A 295
 7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-3.7A)
7A7  A 501 (-4.2A)
7A7  A 501 (-3.2A)
 0.59A 3warA-5lxdA:
28.8		 3warA-5lxdA:
27.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  53
VAL A  66
LYS A  68
ILE A  95
PHE A 113
MET A 163
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 ( 4.0A)
HC4  A 401 ( 3.7A)
HC4  A 401 (-4.0A)
 0.28A 3warA-5movA:
41.3		 3warA-5movA:
96.69
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 4 LYS A  67
ILE A 104
ILE A 185
ASP A 186
 None
7LK  A 401 (-4.8A)
7LK  A 401 ( 4.3A)
None
 0.52A 3warA-5turA:
25.2		 3warA-5turA:
22.47
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 4 VAL A  52
LYS A  67
ILE A 185
ASP A 186
 7LK  A 401 (-4.9A)
None
7LK  A 401 ( 4.3A)
None
 0.51A 3warA-5turA:
25.2		 3warA-5turA:
22.47
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A  25
LYS A  40
MET A 145
ASP A 156
 G93  A 301 (-3.4A)
G93  A 301 (-3.0A)
G93  A 301 ( 3.7A)
G93  A 301 ( 3.2A)
 0.60A 3warA-5u94A:
25.5		 3warA-5u94A:
15.32
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)
 0.61A 3warA-5w2hA:
3.2		 3warA-5w2hA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 VAL A  57
LYS A  72
ILE A  99
PHE A 117
MET A 167
ILE A 178
 ATP  A 403 (-3.9A)
ATP  A 403 (-3.2A)
ATP  A 403 (-4.9A)
None
ATP  A 403 ( 3.7A)
ATP  A 403 ( 4.5A)
 0.42A 3warA-5xvuA:
47.2		 3warA-5xvuA:
62.99
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.
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)
 0.50A 3warA-5y86A:
21.7		 3warA-5y86A:
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.
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)
 0.52A 3warA-6b4wA:
21.3		 3warA-6b4wA:
26.30
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)
 0.51A 3warA-6fyoA:
29.1		 3warA-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)
 0.61A 3warA-6fyvA:
29.1		 3warA-6fyvA:
undetectable