SIMILAR PATTERNS OF AMINO ACIDS FOR 4IAA_A_RTZA401_1

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.
1pg6 HYPOTHETICAL PROTEIN
SPYM3_0169

(Streptococcus
pyogenes) 		PF01987
(AIM24) 		6 VAL A  43
ALA A  78
GLU A  20
LEU A  88
ILE A  21
ASP A  22
 None
 1.37A 4iaaA-1pg6A:
undetectable		 4iaaA-1pg6A:
22.98
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) 		6 VAL A 172
ALA A 185
LYS A 187
GLU A 298
LEU A 301
ASP A 550
 ADP  A 810 (-4.1A)
ADP  A 810 (-3.3A)
ADP  A 810 (-3.1A)
None
ADP  A 810 (-4.7A)
ADP  A 810 ( 3.0A)
 1.08A 4iaaA-1q8yA:
24.3		 4iaaA-1q8yA:
27.22
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.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 624
ALA A 642
LYS A 644
ASP A 698
LEU A 818
ASP A 829
 None
 0.83A 4iaaA-1rjbA:
20.4		 4iaaA-1rjbA:
24.86
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 603
ALA A 621
LYS A 623
ASP A 677
LEU A 799
ASP A 810
 STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
None
STI  A   3 (-4.4A)
STI  A   3 (-3.9A)
 1.16A 4iaaA-1t46A:
3.5		 4iaaA-1t46A:
27.57
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.
1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A

(Homo sapiens) 		PF03770
(IPK) 		6 LYS A 209
LEU A 248
VAL A 403
LEU A 401
ILE A 415
ASP A 416
 ADP  A1462 (-2.6A)
ADP  A1462 ( 4.3A)
None
ADP  A1462 ( 4.6A)
ADP  A1462 ( 4.2A)
ADP  A1462 ( 3.4A)
 1.15A 4iaaA-1w2dA:
6.1		 4iaaA-1w2dA:
22.78
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.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		5 VAL A 106
LYS A 120
LEU A 225
ILE A 234
ASP A 235
 ATP  A 286 (-4.6A)
ATP  A 286 (-2.6A)
None
ATP  A 286 (-4.5A)
ATP  A 286 ( 2.5A)
 0.67A 4iaaA-1zaoA:
12.4		 4iaaA-1zaoA:
23.42
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  23
ALA A  36
LYS A  38
LEU A  84
GLU A 134
ASP A 148
 HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
HYM  A 400 (-4.2A)
None
HYM  A 400 (-3.9A)
 0.89A 4iaaA-1zltA:
27.4		 4iaaA-1zltA:
27.80
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 VAL A 259
ALA A 272
LYS A 274
ASP A 330
LEU A 376
ASP A 387
 BI1  A1000 (-4.2A)
BI1  A1000 (-3.4A)
BI1  A1000 (-3.5A)
BI1  A1000 (-4.3A)
BI1  A1000 (-4.8A)
BI1  A1000 (-4.5A)
 0.64A 4iaaA-1zrzA:
28.4		 4iaaA-1zrzA:
26.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  27
ALA A  40
LYS A  42
LEU A  93
ILE A 160
ASP A 161
 None
 0.65A 4iaaA-1zwsA:
27.5		 4iaaA-1zwsA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  27
ALA A  40
LYS A  42
LEU A  93
GLU A 143
ILE A 160
ASP A 161
 None
GOL  A3001 (-3.5A)
None
GOL  A3001 ( 4.5A)
None
GOL  A3001 ( 3.9A)
None
 0.65A 4iaaA-2a2aA:
27.0		 4iaaA-2a2aA:
30.28
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.
2bid PROTEIN (BID)

(Homo sapiens) 		PF06393
(BID) 		6 VAL A  23
LEU A 155
VAL A 161
ASP A 171
GLU A 122
LEU A 115
 None
 1.29A 4iaaA-2bidA:
undetectable		 4iaaA-2bidA:
22.37
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  34
ALA A  47
LYS A  49
LEU A  98
LEU A 155
 STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
STU  A1301 ( 4.0A)
STU  A1301 ( 4.7A)
STU  A1301 ( 4.8A)
 0.63A 4iaaA-2bujA:
25.8		 4iaaA-2bujA:
26.63
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		7 ALA A  73
LYS A  75
LEU A 119
GLU A 169
LEU A 172
ILE A 187
ASP A 188
 5ID  A1300 ( 3.8A)
None
5ID  A1300 ( 4.7A)
None
5ID  A1300 (-4.6A)
5ID  A1300 (-3.9A)
None
 0.96A 4iaaA-2c47A:
21.6		 4iaaA-2c47A:
23.68
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 VAL A  51
ALA A  73
LEU A 303
VAL A 295
ASP A  15
GLU A  16
 None
 1.45A 4iaaA-2eklA:
undetectable		 4iaaA-2eklA:
23.10
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		6 PHE A 128
ALA A  69
LEU A  73
VAL A 110
GLU A 125
LEU A 119
 None
 1.34A 4iaaA-2i7xA:
undetectable		 4iaaA-2i7xA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		7 PHE A  43
LEU A 116
ASP A 124
GLU A 167
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.87A 4iaaA-2iwiA:
36.3		 4iaaA-2iwiA:
56.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		8 PHE A  43
VAL A  46
ALA A  59
LEU A 116
ASP A 124
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.76A 4iaaA-2iwiA:
36.3		 4iaaA-2iwiA:
56.58
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL X  78
ALA X  91
LYS X  93
GLU X 190
LEU X 193
ASP X 207
 None
F10  X 401 (-3.4A)
F10  X 401 (-4.3A)
None
F10  X 401 ( 4.4A)
F10  X 401 (-3.4A)
 1.09A 4iaaA-2p3gX:
20.6		 4iaaA-2p3gX:
29.07
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) 		6 VAL A  33
ALA A  46
LYS A  48
GLU A 153
LEU A 156
ASP A 167
 ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.2A)
None
ATP  A 381 ( 4.8A)
MN  A 382 (-2.0A)
 0.95A 4iaaA-2phkA:
28.6		 4iaaA-2phkA:
29.61
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.
2v55 RHO-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  90
ALA A 103
LYS A 105
ASP A 160
LEU A 205
ASP A 216
 None
ANP  A1480 ( 3.9A)
ANP  A1480 (-3.4A)
ANP  A1480 (-4.0A)
ANP  A1480 ( 4.7A)
ANP  A1480 (-3.5A)
 0.83A 4iaaA-2v55A:
24.3		 4iaaA-2v55A:
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		7 VAL A 498
ALA A 509
LYS A 511
ASP A 611
LEU A 656
ILE A 686
ASP A 687
 5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
 0.79A 4iaaA-2vuwA:
16.8		 4iaaA-2vuwA:
25.55
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  27
ALA A  40
LYS A  42
LEU A  93
GLU A 143
ILE A 160
ASP A 161
 ADP  A1303 (-4.0A)
ADP  A1303 (-3.5A)
ADP  A1303 (-2.7A)
ADP  A1303 ( 4.1A)
None
ADP  A1303 ( 4.1A)
MG  A1304 ( 2.8A)
 0.69A 4iaaA-2w4kA:
27.1		 4iaaA-2w4kA:
28.95
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  60
ALA A  73
LYS A  75
LEU A 118
LEU A 171
 DKI  A1338 (-4.2A)
DKI  A1338 ( 3.7A)
None
DKI  A1338 ( 4.7A)
DKI  A1338 (-4.9A)
 0.47A 4iaaA-2w4oA:
22.5		 4iaaA-2w4oA:
29.08
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 120
ALA A 133
GLU A 231
LEU A 234
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
 0.90A 4iaaA-2x4fA:
26.1		 4iaaA-2x4fA:
24.80
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 120
ALA A 133
LYS A 135
LEU A 234
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
 0.91A 4iaaA-2x4fA:
26.1		 4iaaA-2x4fA:
24.80
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL A  27
ALA A  40
LYS A  42
LEU A  93
GLU A 143
ILE A 160
ASP A 161
 AMP  A1302 (-4.2A)
AMP  A1302 (-3.6A)
AMP  A1302 (-2.8A)
AMP  A1302 ( 3.6A)
None
AMP  A1302 (-4.0A)
AMP  A1302 (-3.1A)
 0.61A 4iaaA-2yabA:
27.2		 4iaaA-2yabA:
27.52
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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		7 ALA A  92
LYS A  94
LEU A 141
ASP A 148
GLU A 191
LEU A 194
ASP A 205
 STU  A   1 (-3.3A)
STU  A   1 (-2.8A)
STU  A   1 ( 4.6A)
STU  A   1 (-3.8A)
None
STU  A   1 (-4.6A)
STU  A   1 ( 3.8A)
 1.02A 4iaaA-2z7rA:
26.5		 4iaaA-2z7rA:
27.93
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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  76
ALA A  92
LYS A  94
LEU A 141
ASP A 148
LEU A 194
ASP A 205
 None
STU  A   1 (-3.3A)
STU  A   1 (-2.8A)
STU  A   1 ( 4.6A)
STU  A   1 (-3.8A)
STU  A   1 (-4.6A)
STU  A   1 ( 3.8A)
 0.61A 4iaaA-2z7rA:
26.5		 4iaaA-2z7rA:
27.93
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.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 539
ALA A 551
LYS A 553
ASP A 608
LEU A 654
ILE A 663
 None
None
7PE  A   1 (-2.6A)
None
None
7PE  A   1 (-4.7A)
 0.76A 4iaaA-2zmcA:
22.9		 4iaaA-2zmcA:
26.08
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  27
ALA A  40
LYS A  42
LEU A  93
ILE A 160
ASP A 161
 4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
 0.40A 4iaaA-3bqrA:
26.0		 4iaaA-3bqrA:
29.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		10 PHE A  49
ALA A  65
LYS A  67
LEU A 120
VAL A 126
ASP A 128
GLU A 171
LEU A 174
ILE A 185
ASP A 186
 985  A   1 (-4.0A)
985  A   1 (-3.5A)
985  A   1 ( 2.8A)
985  A   1 (-4.3A)
None
985  A   1 (-4.7A)
None
985  A   1 (-4.8A)
985  A   1 (-3.7A)
985  A   1 ( 4.0A)
 0.56A 4iaaA-3f2aA:
44.3		 4iaaA-3f2aA:
95.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		10 PHE A  49
VAL A  52
ALA A  65
LYS A  67
LEU A 120
VAL A 126
ASP A 128
GLU A 171
LEU A 174
ILE A 185
 985  A   1 (-4.0A)
985  A   1 (-4.5A)
985  A   1 (-3.5A)
985  A   1 ( 2.8A)
985  A   1 (-4.3A)
None
985  A   1 (-4.7A)
None
985  A   1 (-4.8A)
985  A   1 (-3.7A)
 0.60A 4iaaA-3f2aA:
44.3		 4iaaA-3f2aA:
95.67
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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 VAL A  42
ALA A  55
LYS A  57
LEU A 155
ILE A 168
ASP A 169
 DRK  A   1 ( 4.9A)
DRK  A   1 (-3.4A)
DRK  A   1 (-4.1A)
DRK  A   1 (-4.6A)
DRK  A   1 ( 4.2A)
None
 0.96A 4iaaA-3f3zA:
21.9		 4iaaA-3f3zA:
28.81
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 VAL A  90
ALA A 103
LYS A 105
LEU A 205
ILE A 218
ASP A 219
 ANP  A 610 (-3.9A)
ANP  A 610 ( 3.7A)
ANP  A 610 (-2.8A)
None
ANP  A 610 ( 4.4A)
ANP  A 610 ( 2.7A)
 0.77A 4iaaA-3igoA:
21.8		 4iaaA-3igoA:
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A 453
LYS A 455
GLU A 548
LEU A 551
ILE A 564
ASP A 565
 ANP  A 400 ( 3.8A)
None
ANP  A 400 (-3.2A)
ANP  A 400 (-4.7A)
ANP  A 400 (-3.9A)
None
 0.77A 4iaaA-3kn5A:
21.9		 4iaaA-3kn5A:
28.07
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 VAL A 689
ALA A 700
LYS A 702
LEU A 745
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
SR  A2103 (-2.6A)
 0.39A 4iaaA-3lj0A:
24.5		 4iaaA-3lj0A:
23.36
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 VAL A 566
ALA A 579
LYS A 581
LEU A 684
ILE A 719
ASP A 720
 ANP  A 877 (-4.1A)
ANP  A 877 ( 3.7A)
ANP  A 877 (-2.7A)
None
ANP  A 877 ( 4.3A)
ANP  A 877 (-2.9A)
 0.80A 4iaaA-3lltA:
24.4		 4iaaA-3lltA:
23.39
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  57
ALA A  70
LYS A  72
GLU A 170
LEU A 173
ASP A 184
 XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
None
None
XFE  A 351 (-4.6A)
None
 1.04A 4iaaA-3mvjA:
28.9		 4iaaA-3mvjA:
26.72
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		5 VAL A  42
ALA A  55
LYS A  57
LEU A 109
LEU A 161
 None
GOL  A 434 ( 4.1A)
GOL  A 433 (-3.2A)
GOL  A 433 (-4.3A)
GOL  A 434 (-4.2A)
 0.65A 4iaaA-3n9xA:
22.0		 4iaaA-3n9xA:
21.82
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.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 VAL A  44
ALA A  57
LYS A  59
LEU A 111
ASP A 174
 ANP  A 430 (-4.2A)
ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.1A)
ANP  A 430 (-2.8A)
 0.43A 4iaaA-3nieA:
22.4		 4iaaA-3nieA:
22.40
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  96
ALA A 109
LYS A 111
LEU A 159
LEU A 212
ASP A 223
 JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-2.8A)
JOZ  A 361 (-4.0A)
None
SO4  A   5 ( 4.5A)
 0.80A 4iaaA-3nuuA:
28.9		 4iaaA-3nuuA:
26.71
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 200
ALA A 213
LEU A 263
ASP A 270
GLU A 315
LEU A 318
ASP A 329
 AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 ( 4.7A)
AMP  A 577 (-3.6A)
None
AMP  A 577 (-4.8A)
AMP  A 577 (-4.0A)
 1.00A 4iaaA-3nyoA:
27.6		 4iaaA-3nyoA:
20.77
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 200
ALA A 213
LYS A 215
LEU A 263
ASP A 270
GLU A 315
ASP A 329
 AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 (-2.8A)
AMP  A 577 ( 4.7A)
AMP  A 577 (-3.6A)
None
AMP  A 577 (-4.0A)
 0.93A 4iaaA-3nyoA:
27.6		 4iaaA-3nyoA:
20.77
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.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 VAL A  25
ALA A  38
LYS A  40
ASP A  96
LEU A 141
 None
 0.63A 4iaaA-3oz6A:
22.6		 4iaaA-3oz6A:
23.08
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 VAL A  71
ALA A  84
LYS A  86
LEU A 197
ASP A 211
 ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
ANP  A1634 (-3.1A)
ANP  A1634 (-4.4A)
MG  A 529 (-2.2A)
 0.62A 4iaaA-3q5iA:
24.8		 4iaaA-3q5iA:
22.80
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 103
LYS A 105
ASP A 160
LEU A 207
ASP A 218
 NM7  A 416 ( 3.7A)
EDO  A 417 (-3.5A)
None
NM7  A 416 ( 4.2A)
EDO  A 417 (-3.7A)
 0.66A 4iaaA-3qfvA:
25.8		 4iaaA-3qfvA:
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  90
ALA A 103
LYS A 105
ASP A 160
LEU A 207
 NM7  A 416 (-3.7A)
NM7  A 416 ( 3.7A)
EDO  A 417 (-3.5A)
None
NM7  A 416 ( 4.2A)
 0.67A 4iaaA-3qfvA:
25.8		 4iaaA-3qfvA:
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  58
ALA A  71
LYS A  73
GLU A 170
LEU A 173
ASP A 187
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
I85  A 350 (-3.3A)
 0.79A 4iaaA-3sheA:
21.7		 4iaaA-3sheA:
27.36
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 PHE A 366
VAL A 369
ALA A 382
LYS A 384
ASP A 440
LEU A 486
ASP A 497
 07U  A   1 (-3.7A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
07U  A   1 (-3.0A)
07U  A   1 (-3.9A)
07U  A   1 (-4.3A)
07U  A   1 (-3.6A)
 0.75A 4iaaA-3txoA:
20.2		 4iaaA-3txoA:
26.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w18 AURORA KINASE A

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 147
ALA A 160
LYS A 162
LEU A 210
GLU A 260
LEU A 263
 N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
None
N13  A 501 (-4.5A)
 1.01A 4iaaA-3w18A:
25.2		 4iaaA-3w18A:
31.37
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.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A1959
ALA A1978
LYS A1980
LEU A2026
ASP A2033
LEU A2086
 None
VGH  A3000 (-3.4A)
VGH  A3000 ( 4.7A)
VGH  A3000 ( 4.2A)
VGH  A3000 (-4.5A)
VGH  A3000 (-4.3A)
 0.85A 4iaaA-3zbfA:
17.5		 4iaaA-3zbfA:
25.44
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.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A1959
ALA A1978
LYS A1980
LEU A2026
ASP A2102
 None
VGH  A3000 (-3.4A)
VGH  A3000 ( 4.7A)
VGH  A3000 ( 4.2A)
None
 0.62A 4iaaA-3zbfA:
17.5		 4iaaA-3zbfA:
25.44
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 VAL A  91
ALA A 104
LYS A 106
ASP A 161
LEU A 208
ASP A 219
 None
EDO  A1420 (-3.4A)
EDO  A1419 (-3.3A)
None
EDO  A1420 ( 4.8A)
None
 0.72A 4iaaA-4aw2A:
25.7		 4iaaA-4aw2A:
25.46
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  69
ALA A  82
LYS A  84
LEU A 137
ASP A 143
LEU A 189
 R4L  A1394 (-4.0A)
R4L  A1394 ( 3.7A)
None
R4L  A1394 (-3.9A)
R4L  A1394 ( 4.2A)
R4L  A1394 (-4.5A)
 0.58A 4iaaA-4b99A:
22.5		 4iaaA-4b99A:
24.20
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		5 VAL A 254
ALA A 267
LYS A 269
LEU A 318
LEU A 371
 None
 0.42A 4iaaA-4c0tA:
27.7		 4iaaA-4c0tA:
14.77
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 VAL A 671
ALA A 684
LYS A 686
ASP A 744
LEU A 789
ASP A 800
 AGS  A1985 (-4.6A)
AGS  A1985 (-3.5A)
AGS  A1985 (-3.0A)
AGS  A1985 (-4.0A)
AGS  A1985 (-4.8A)
AGS  A1985 ( 3.3A)
 0.78A 4iaaA-4crsA:
28.3		 4iaaA-4crsA:
21.55
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.
4d28 CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		6 VAL A  25
ALA A  38
LYS A  40
LEU A  88
GLU A 138
LEU A 141
 None
 0.98A 4iaaA-4d28A:
24.2		 4iaaA-4d28A:
26.22
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  72
ALA A  88
LYS A  90
LEU A 184
ASP A 196
 ADP  A 601 (-4.0A)
ADP  A 601 (-3.5A)
ADP  A 601 (-2.6A)
ADP  A 601 ( 4.9A)
MG  A 602 ( 3.1A)
 0.57A 4iaaA-4f99A:
23.8		 4iaaA-4f99A:
24.40
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A1130
ALA A1148
LYS A1150
LEU A1196
ASP A1203
ASP A1270
 0UV  A1501 (-4.5A)
0UV  A1501 (-3.4A)
0UV  A1501 (-3.7A)
0UV  A1501 (-3.7A)
0UV  A1501 ( 4.6A)
0UV  A1501 ( 4.2A)
 0.92A 4iaaA-4fodA:
21.3		 4iaaA-4fodA:
25.14
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.
4fr4 SERINE/THREONINE-PRO
TEIN KINASE 32A

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  37
ALA A  50
LYS A  52
ASP A 107
LEU A 153
ASP A 164
 STU  A 401 ( 4.9A)
STU  A 401 (-3.2A)
None
STU  A 401 (-3.3A)
STU  A 401 (-4.7A)
STU  A 401 ( 3.9A)
 1.00A 4iaaA-4fr4A:
25.2		 4iaaA-4fr4A:
22.76
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.
4jin RIO-TYPE
SERINE/THREONINE-PRO
TEIN KINASE RIO1

(Archaeoglobus
fulgidus) 		PF01163
(RIO1) 		5 VAL A  63
ALA A  78
LYS A  80
ILE A 211
ASP A 212
 1L7  A 301 ( 4.8A)
1L7  A 301 ( 3.7A)
1L7  A 301 (-2.8A)
1L7  A 301 (-4.4A)
1L7  A 301 (-3.6A)
 0.57A 4iaaA-4jinA:
7.1		 4iaaA-4jinA:
20.46
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		5 VAL A 205
ALA A 218
LYS A 220
LEU A 271
ASP A 335
 29X  A 702 (-4.7A)
29X  A 702 (-3.1A)
29X  A 702 (-3.6A)
29X  A 702 ( 4.7A)
29X  A 702 (-4.4A)
 0.50A 4iaaA-4mk0A:
18.2		 4iaaA-4mk0A:
17.92
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 ALA A  99
LYS A 101
GLU A 196
LEU A 199
ILE A 212
ASP A 213
 STU  A 601 (-3.3A)
STU  A 601 (-3.9A)
None
STU  A 601 (-4.7A)
STU  A 601 (-4.3A)
STU  A 601 (-4.3A)
 1.12A 4iaaA-4mvfA:
23.4		 4iaaA-4mvfA:
21.27
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		6 VAL A  86
ALA A  99
LYS A 101
LEU A 199
ILE A 212
ASP A 213
 STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
STU  A 601 (-3.9A)
STU  A 601 (-4.7A)
STU  A 601 (-4.3A)
STU  A 601 (-4.3A)
 0.76A 4iaaA-4mvfA:
23.4		 4iaaA-4mvfA:
21.27
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 VAL A 635
ALA A 648
LYS A 650
ASP A 708
LEU A 753
ASP A 764
 None
 1.02A 4iaaA-4otdA:
28.7		 4iaaA-4otdA:
27.07
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.
4otp SERINE/THREONINE-PRO
TEIN KINASE RIO1

(Homo sapiens) 		PF01163
(RIO1) 		5 VAL A 194
ALA A 206
LYS A 208
LEU A 331
ILE A 340
 ADP  A 501 (-4.3A)
ADP  A 501 ( 4.0A)
ADP  A 501 (-3.0A)
None
PHD  A 341 (-3.5A)
 0.37A 4iaaA-4otpA:
13.4		 4iaaA-4otpA:
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 PHE A 391
VAL A 394
ALA A 407
LYS A 409
ASP A 465
LEU A 511
 PZW  A 801 (-3.7A)
PZW  A 801 (-4.6A)
PZW  A 801 (-3.5A)
None
None
PZW  A 801 (-4.8A)
 0.74A 4iaaA-4q9zA:
28.0		 4iaaA-4q9zA:
26.65
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.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 624
ALA A 642
LYS A 644
ASP A 698
LEU A 818
ASP A 829
 None
P30  A1001 (-3.4A)
P30  A1001 (-3.4A)
None
P30  A1001 (-4.6A)
None
 0.92A 4iaaA-4rt7A:
12.5		 4iaaA-4rt7A:
21.99
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 VAL A 200
ALA A 213
LEU A 263
ASP A 270
LEU A 318
 SGV  A 601 ( 4.6A)
SGV  A 601 (-3.3A)
SGV  A 601 (-4.5A)
SGV  A 601 (-4.2A)
SGV  A 601 (-4.9A)
 0.63A 4iaaA-4tnbA:
23.3		 4iaaA-4tnbA:
19.64
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 VAL A 200
ALA A 213
LYS A 215
LEU A 263
ASP A 270
 SGV  A 601 ( 4.6A)
SGV  A 601 (-3.3A)
SGV  A 601 ( 4.2A)
SGV  A 601 (-4.5A)
SGV  A 601 (-4.2A)
 0.42A 4iaaA-4tnbA:
23.3		 4iaaA-4tnbA:
19.64
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		6 VAL A 112
ALA A 125
LYS A 127
GLU A 225
LEU A 228
ASP A 239
 ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-2.6A)
None
ATP  A 501 (-4.5A)
ZN  A 503 (-1.9A)
 0.97A 4iaaA-4wb7A:
28.8		 4iaaA-4wb7A:
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 201
ALA A 214
LYS A 216
ASP A 271
GLU A 318
LEU A 321
ASP A 332
 None
ANW  A 601 (-3.4A)
None
None
None
ANW  A 601 (-4.9A)
None
 0.84A 4iaaA-4wboA:
27.4		 4iaaA-4wboA:
19.27
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.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		5 VAL A  30
LYS A  52
LEU A 106
ILE A 181
ASP A 182
 AMP  A 301 (-4.4A)
AMP  A 301 (-2.8A)
AMP  A 301 ( 4.4A)
AMP  A 301 ( 4.3A)
AMP  A 301 (-3.4A)
 0.53A 4iaaA-4ww7A:
11.9		 4iaaA-4ww7A:
20.88
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		6 LYS A 216
LEU A 264
ASP A 271
GLU A 316
LEU A 319
ASP A 330
 AN2  A 601 ( 3.9A)
AN2  A 601 ( 4.8A)
None
None
None
AN2  A 601 (-3.0A)
 1.15A 4iaaA-4yhjA:
24.9		 4iaaA-4yhjA:
21.72
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 201
ALA A 214
LYS A 216
LEU A 264
ASP A 271
LEU A 319
ASP A 330
 AN2  A 601 (-4.0A)
AN2  A 601 (-3.6A)
AN2  A 601 ( 3.9A)
AN2  A 601 ( 4.8A)
None
None
AN2  A 601 (-3.0A)
 0.85A 4iaaA-4yhjA:
24.9		 4iaaA-4yhjA:
21.72
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) 		6 VAL A 173
ALA A 186
LYS A 188
GLU A 291
LEU A 294
ASP A 307
 4E1  A 505 (-4.5A)
4E1  A 505 (-3.5A)
4E1  A 505 (-2.7A)
None
None
4E1  A 505 (-3.6A)
 0.99A 4iaaA-4yljA:
24.7		 4iaaA-4yljA:
23.53
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 VAL A  42
ALA A  55
LYS A  57
GLU A 155
LEU A 158
ILE A 171
ASP A 172
 ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
ADP  A 506 (-2.4A)
None
ADP  A 506 (-4.7A)
ADP  A 506 (-4.5A)
ADP  A 506 ( 2.4A)
 0.98A 4iaaA-4ysjA:
29.1		 4iaaA-4ysjA:
20.00
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.
5b4c UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00149
(Metallophos) 		6 VAL A   3
ALA A  35
GLU A 108
LEU A 112
ILE A 103
ASP A 104
 None
None
None
None
None
GOL  A 303 (-4.8A)
 1.33A 4iaaA-5b4cA:
undetectable		 4iaaA-5b4cA:
23.68
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		5 VAL A 107
ALA A 120
LYS A 122
LEU A 170
LEU A 223
 5U5  A 401 ( 4.3A)
5U5  A 401 (-3.5A)
5U5  A 401 (-2.6A)
5U5  A 401 (-3.8A)
5U5  A 401 (-4.7A)
 0.64A 4iaaA-5eykA:
28.3		 4iaaA-5eykA:
27.12
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		6 VAL A 548
ALA A 561
LYS A 563
LEU A 664
ILE A 674
ASP A 675
 4ZS  A 901 (-4.8A)
4ZS  A 901 ( 3.8A)
4ZS  A 901 (-3.9A)
4ZS  A 901 (-3.6A)
4ZS  A 901 (-3.9A)
None
 0.67A 4iaaA-5ezrA:
25.4		 4iaaA-5ezrA:
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.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		6 VAL A  28
ALA A  41
LYS A  43
GLU A 140
LEU A 143
ASP A 157
 ADP  A 301 (-3.7A)
ADP  A 301 (-3.5A)
ADP  A 301 (-2.7A)
None
ADP  A 301 (-4.7A)
MG  A 302 ( 3.3A)
 0.99A 4iaaA-5hu3A:
29.0		 4iaaA-5hu3A:
28.10
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  35
ALA A  50
LYS A  52
ASP A 103
LEU A 158
ASP A 173
 6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 ( 2.9A)
6A7  A 401 ( 4.9A)
6A7  A 401 (-4.8A)
FMT  A 403 ( 3.3A)
 0.99A 4iaaA-5idnA:
24.4		 4iaaA-5idnA:
24.87
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.
5ig1 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF00069
(Pkinase) 		6 VAL A  32
ALA A  45
LYS A  47
GLU A 144
LEU A 147
ASP A 161
 None
 0.93A 4iaaA-5ig1A:
26.7		 4iaaA-5ig1A:
28.92
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.
5jzn SERINE/THREONINE-PRO
TEIN KINASE DCLK1

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 404
ALA A 417
ASP A 472
GLU A 515
LEU A 518
ASP A 533
 GUI  A 701 (-4.4A)
GUI  A 701 ( 3.9A)
None
None
GUI  A 701 (-4.4A)
GUI  A 701 ( 4.8A)
 0.82A 4iaaA-5jznA:
28.8		 4iaaA-5jznA:
29.45
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 163
ALA A 176
LYS A 178
LEU A 282
ILE A 294
ASP A 295
 7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-3.5A)
7A7  A 501 (-4.9A)
7A7  A 501 (-4.2A)
7A7  A 501 (-3.2A)
 0.60A 4iaaA-5lxdA:
24.2		 4iaaA-5lxdA:
23.92
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.
5o0y SERINE/THREONINE-PRO
TEIN KINASE
TOUSLED-LIKE 2

(Homo sapiens) 		no annotation 6 VAL A 476
ALA A 489
LYS A 491
LEU A 544
ASP A 551
LEU A 599
 AGS  A 801 (-4.0A)
AGS  A 801 (-3.6A)
AGS  A 801 (-2.8A)
AGS  A 801 ( 4.0A)
None
None
 0.75A 4iaaA-5o0yA:
25.3		 4iaaA-5o0yA:
13.86
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.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 VAL A 601
ALA A 617
LYS A 619
LEU A 671
ASP A 678
ASP A 741
 7AE  A1000 ( 4.9A)
7AE  A1000 (-3.3A)
7AE  A1000 (-3.1A)
7AE  A1000 (-3.7A)
7AE  A1000 ( 4.8A)
7AE  A1000 (-4.4A)
 0.75A 4iaaA-5td2A:
20.8		 4iaaA-5td2A:
25.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 11 PHE A  49
VAL A  52
ALA A  65
LYS A  67
LEU A 120
VAL A 126
ASP A 128
GLU A 171
LEU A 174
ILE A 185
ASP A 186
 7LK  A 401 ( 4.4A)
7LK  A 401 (-4.9A)
7LK  A 401 (-3.3A)
None
7LK  A 401 (-4.0A)
None
7LK  A 401 ( 3.9A)
None
7LK  A 401 (-4.8A)
7LK  A 401 ( 4.3A)
None
 0.51A 4iaaA-5turA:
44.2		 4iaaA-5turA:
71.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 6 ALA A  38
LEU A  86
GLU A 136
LEU A 139
ILE A 149
ASP A 150
 7LV  A 401 (-3.4A)
7LV  A 401 ( 4.2A)
None
7LV  A 401 (-4.9A)
7LV  A 401 (-3.6A)
7LV  A 401 (-4.2A)
 1.16A 4iaaA-5tvtA:
27.7		 4iaaA-5tvtA:
30.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 7 VAL A  25
ALA A  38
LYS A  40
LEU A  86
LEU A 139
ILE A 149
ASP A 150
 7LV  A 401 ( 4.6A)
7LV  A 401 (-3.4A)
7LV  A 401 (-3.0A)
7LV  A 401 ( 4.2A)
7LV  A 401 (-4.9A)
7LV  A 401 (-3.6A)
7LV  A 401 (-4.2A)
 0.64A 4iaaA-5tvtA:
27.7		 4iaaA-5tvtA:
30.06
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.
5u7q RHO-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 106
ALA A 119
LYS A 121
ASP A 176
LEU A 221
ASP A 232
 None
 0.78A 4iaaA-5u7qA:
25.3		 4iaaA-5u7qA:
25.88
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.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 VAL A 205
ALA A 218
LEU A 271
ASP A 278
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 ( 4.9A)
None
None
 0.56A 4iaaA-5uuuA:
28.2		 4iaaA-5uuuA:
21.13
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.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		6 VAL A 205
ALA A 218
LYS A 220
LEU A 271
ASP A 278
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
QRW  A 601 ( 4.9A)
None
QRW  A 601 (-3.7A)
 0.64A 4iaaA-5uuuA:
28.2		 4iaaA-5uuuA:
21.13
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 8 PHE A 220
VAL A 223
ALA A 236
LYS A 238
ASP A 294
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.1A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.87A 4iaaA-5y86A:
24.5		 4iaaA-5y86A:
13.07
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 8 VAL A 223
ALA A 236
LYS A 238
ASP A 294
GLU A 339
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
None
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.76A 4iaaA-5y86A:
24.5		 4iaaA-5y86A:
13.07
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 6 VAL A 539
ALA A 551
LYS A 553
ASP A 608
LEU A 654
ILE A 663
 CQ7  A 801 ( 4.8A)
CQ7  A 801 (-3.2A)
CQ7  A 801 (-3.2A)
CQ7  A 801 (-4.7A)
CQ7  A 801 (-4.5A)
CQ7  A 801 (-3.7A)
 0.80A 4iaaA-6b4wA:
22.4		 4iaaA-6b4wA:
28.53
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 6 VAL A 539
ALA A 551
LYS A 553
VAL A 656
LEU A 654
ILE A 663
 CQ7  A 801 ( 4.8A)
CQ7  A 801 (-3.2A)
CQ7  A 801 (-3.2A)
None
CQ7  A 801 (-4.5A)
CQ7  A 801 (-3.7A)
 1.46A 4iaaA-6b4wA:
22.4		 4iaaA-6b4wA:
28.53
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.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 6 VAL A  74
ALA A  87
LYS A  89
GLU A 186
LEU A 189
ASP A 200
 None
 1.01A 4iaaA-6c9dA:
28.2		 4iaaA-6c9dA:
12.12
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 6 VAL A 175
ALA A 189
LYS A 191
GLU A 292
LEU A 295
ASP A 325
 None
EAQ  A 501 (-3.6A)
EAQ  A 501 (-3.2A)
None
EAQ  A 501 (-4.9A)
EAQ  A 501 (-4.6A)
 0.97A 4iaaA-6fyoA:
25.0		 4iaaA-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 6 VAL A 175
ALA A 189
LYS A 191
GLU A 292
LEU A 295
ASP A 325
 3NG  A 501 ( 4.3A)
3NG  A 501 (-3.5A)
3NG  A 501 (-2.7A)
None
None
3NG  A 501 (-4.3A)
 1.00A 4iaaA-6fyvA:
25.1		 4iaaA-6fyvA:
undetectable