SIMILAR PATTERNS OF AMINO ACIDS FOR 2FUM_A_MIXA539

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.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		7 GLY A  46
VAL A  53
VAL A 116
ASP A 156
LYS A 158
ASN A 161
MET A 163
 HNA  A 351 (-2.8A)
HNA  A 351 (-4.5A)
HNA  A 351 (-3.8A)
None
None
None
HNA  A 351 ( 3.8A)
 0.88A 2fumA-1m2pA:
24.5		 2fumA-1m2pA:
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.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		7 VAL A  53
VAL A 116
ASP A 156
LYS A 158
ASN A 161
MET A 163
ASP A 175
 HNA  A 351 (-4.5A)
HNA  A 351 (-3.8A)
None
None
None
HNA  A 351 ( 3.8A)
HNA  A 351 (-3.3A)
 0.93A 2fumA-1m2pA:
24.5		 2fumA-1m2pA:
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.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  70
GLY A  71
VAL A  78
ALA A  91
ASP A 186
LYS A 188
ASN A 191
ASP A 207
 STU  A 401 (-3.9A)
STU  A 401 (-3.6A)
STU  A 401 (-4.7A)
STU  A 401 (-3.4A)
None
None
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
 0.72A 2fumA-1nxkA:
23.4		 2fumA-1nxkA:
24.52
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  78
GLY A  79
VAL A  86
ALA A  99
ASP A 194
LYS A 196
ASN A 199
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.7A)
MG  A 536 (-2.8A)
 0.90A 2fumA-1s9iA:
9.0		 2fumA-1s9iA:
26.10
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.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 344
GLY A 345
VAL A 352
ALA A 367
ASP A 461
ASN A 466
ASP A 479
 STU  A 100 (-3.8A)
STU  A 100 (-3.3A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
None
STU  A 100 (-4.2A)
STU  A 100 (-3.5A)
 0.64A 2fumA-1u59A:
26.8		 2fumA-1u59A:
24.15
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		7 GLY A  35
VAL A  42
ALA A  55
ASP A 151
LYS A 153
ASN A 156
ASP A 169
 None
 0.71A 2fumA-1u5qA:
27.4		 2fumA-1u5qA:
28.12
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  15
GLY A  16
VAL A  23
ALA A  36
ASP A 130
LYS A 132
ASN A 135
ASP A 148
 HYM  A 400 (-4.2A)
HYM  A 400 ( 3.8A)
HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
None
None
HYM  A 400 (-4.2A)
HYM  A 400 (-3.9A)
 0.82A 2fumA-1zltA:
4.0		 2fumA-1zltA:
26.37
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.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  20
VAL A  27
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
 None
 1.06A 2fumA-1zwsA:
27.1		 2fumA-1zwsA:
26.80
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.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  19
GLY A  20
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
 None
 0.97A 2fumA-1zwsA:
27.1		 2fumA-1zwsA:
26.80
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  19
GLY A  20
VAL A  27
ALA A  40
ASP A 139
LYS A 141
ASN A 144
MET A 146
ASP A 161
 None
None
None
GOL  A3001 (-3.5A)
None
None
None
GOL  A3001 (-4.4A)
None
 0.77A 2fumA-2a2aA:
27.2		 2fumA-2a2aA:
26.20
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  19
GLY A  20
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
ASP A 161
 None
None
None
GOL  A3001 (-3.5A)
GOL  A3001 (-3.8A)
None
None
None
None
 0.58A 2fumA-2a2aA:
27.2		 2fumA-2a2aA:
26.20
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU X  17
GLY X  18
VAL X  25
ALA X  37
ASP X 130
ALA X 134
ASN X 135
 STU  X 902 (-3.8A)
STU  X 902 ( 3.7A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-3.6A)
STU  X 902 ( 4.9A)
 0.59A 2fumA-2dq7X:
27.3		 2fumA-2dq7X:
28.00
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU X  17
VAL X  25
ALA X  37
ASP X 130
ALA X 134
ASN X 135
ASP X 148
 STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-3.6A)
STU  X 902 ( 4.9A)
STU  X 902 (-3.6A)
 0.54A 2fumA-2dq7X:
27.3		 2fumA-2dq7X:
28.00
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 162
VAL A 170
ALA A 184
ASP A 283
LYS A 285
ASN A 288
ASP A 320
 None
 0.80A 2fumA-2eu9A:
25.4		 2fumA-2eu9A:
24.15
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 LEU A  19
GLY A  20
VAL A  27
ALA A  40
ASP A 137
LYS A 139
ASN A 142
 ADP  A 500 (-4.3A)
ADP  A 500 ( 4.1A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
None
None
MG  A 600 ( 2.7A)
 0.76A 2fumA-2f9gA:
17.0		 2fumA-2f9gA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 LEU A  19
VAL A  27
ALA A  40
ASP A 137
LYS A 139
ASN A 142
ASP A 155
 ADP  A 500 (-4.3A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
None
None
MG  A 600 ( 2.7A)
ADP  A 500 ( 2.9A)
 0.82A 2fumA-2f9gA:
17.0		 2fumA-2f9gA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		7 GLY A  35
VAL A  42
ALA A  55
ASP A 151
LYS A 153
ASN A 156
ASP A 169
 STU  A 400 (-3.3A)
STU  A 400 ( 4.8A)
STU  A 400 (-3.2A)
None
None
STU  A 400 (-4.4A)
STU  A 400 (-3.6A)
 0.75A 2fumA-2gcdA:
28.6		 2fumA-2gcdA:
27.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LEU A 273
GLY A 274
VAL A 281
ALA A 293
ASP A 386
ALA A 390
ASN A 391
 H8H  A 534 (-3.8A)
H8H  A 534 ( 3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
None
None
H8H  A 534 ( 4.9A)
 0.96A 2fumA-2h8hA:
25.0		 2fumA-2h8hA:
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LEU A 273
VAL A 281
ALA A 293
ASP A 386
ALA A 390
ASN A 391
ASP A 404
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
None
None
H8H  A 534 ( 4.9A)
H8H  A 534 (-4.2A)
 0.91A 2fumA-2h8hA:
25.0		 2fumA-2h8hA:
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.
2i0e PROTEIN KINASE
C-BETA II

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		9 LEU A 348
VAL A 356
ALA A 369
VAL A 423
ASP A 466
LYS A 468
ASN A 471
MET A 473
ASP A 484
 PDS  A 901 (-3.9A)
PDS  A 901 (-4.2A)
PDS  A 901 (-3.3A)
PDS  A 901 (-4.3A)
None
None
PDS  A 901 (-4.3A)
PDS  A 901 (-3.6A)
PDS  A 901 (-3.6A)
 0.67A 2fumA-2i0eA:
25.9		 2fumA-2i0eA:
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.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  38
VAL A  46
ALA A  59
ASP A 163
LYS A 165
ASN A 168
ASP A 182
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.2A)
 0.83A 2fumA-2iwiA:
26.0		 2fumA-2iwiA:
27.65
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.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  29
GLY A  30
VAL A  37
ALA A  50
VAL A 101
ASN A 149
ASP A 165
 J60  A1305 (-3.9A)
None
J60  A1305 (-4.8A)
J60  A1305 (-3.3A)
J60  A1305 (-3.9A)
None
J60  A1305 ( 3.6A)
 0.94A 2fumA-2jamA:
21.2		 2fumA-2jamA:
28.97
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 GLY X  71
VAL X  78
ALA X  91
ASP X 186
LYS X 188
ASN X 191
ASP X 207
 F10  X 401 ( 4.3A)
None
F10  X 401 (-3.4A)
None
None
None
F10  X 401 (-3.4A)
 0.81A 2fumA-2p3gX:
21.1		 2fumA-2p3gX:
25.79
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 LEU X  70
GLY X  71
VAL X  78
ALA X  91
ASP X 186
LYS X 188
ASN X 191
 F10  X 401 (-3.9A)
F10  X 401 ( 4.3A)
None
F10  X 401 (-3.4A)
None
None
None
 0.79A 2fumA-2p3gX:
21.1		 2fumA-2p3gX:
25.79
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 LEU A  25
GLY A  26
VAL A  33
ALA A  46
ASP A 149
LYS A 151
ASN A 154
 ATP  A 381 ( 4.3A)
ATP  A 381 (-3.5A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 ( 4.5A)
ATP  A 381 (-3.2A)
MN  A 383 ( 2.7A)
 0.65A 2fumA-2phkA:
27.9		 2fumA-2phkA:
27.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 724
GLY A 725
VAL A 732
ALA A 749
ASP A 843
ASN A 848
ASP A 861
 GW7  A   1 ( 4.2A)
None
GW7  A   1 ( 4.8A)
GW7  A   1 (-3.3A)
None
None
GW7  A   1 (-4.1A)
 0.93A 2fumA-2r4bA:
18.0		 2fumA-2r4bA:
26.39
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  19
GLY A  20
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
 ADP  A1303 ( 3.9A)
ADP  A1303 (-3.4A)
ADP  A1303 (-4.0A)
ADP  A1303 (-3.5A)
ADP  A1303 (-3.6A)
None
None
MG  A1304 ( 4.2A)
ADP  A1303 (-4.2A)
 0.81A 2fumA-2w4kA:
27.4		 2fumA-2w4kA:
26.43
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  19
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
ASP A 161
 ADP  A1303 ( 3.9A)
ADP  A1303 (-4.0A)
ADP  A1303 (-3.5A)
ADP  A1303 (-3.6A)
None
None
MG  A1304 ( 4.2A)
ADP  A1303 (-4.2A)
MG  A1304 ( 2.8A)
 0.82A 2fumA-2w4kA:
27.4		 2fumA-2w4kA:
26.43
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  52
GLY A  53
VAL A  60
ALA A  73
VAL A 121
ASP A 164
ASP A 185
 DKI  A1338 (-3.8A)
DKI  A1338 (-3.3A)
DKI  A1338 (-4.2A)
DKI  A1338 ( 3.7A)
DKI  A1338 (-3.9A)
None
DKI  A1338 (-3.8A)
 0.86A 2fumA-2w4oA:
18.7		 2fumA-2w4oA:
29.46
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  52
GLY A  53
VAL A  60
VAL A 121
ASP A 164
ASN A 169
ASP A 185
 DKI  A1338 (-3.8A)
DKI  A1338 (-3.3A)
DKI  A1338 (-4.2A)
DKI  A1338 (-3.9A)
None
None
DKI  A1338 (-3.8A)
 1.04A 2fumA-2w4oA:
18.7		 2fumA-2w4oA:
29.46
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.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		8 GLY A  27
VAL A  34
ALA A  47
ASP A 140
LYS A 142
ALA A 144
ASN A 145
ASP A 158
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 ( 4.6A)
 0.63A 2fumA-2xikA:
22.0		 2fumA-2xikA:
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		9 LEU A  19
GLY A  20
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
 AMP  A1302 (-3.7A)
AMP  A1302 (-3.5A)
AMP  A1302 (-4.2A)
AMP  A1302 (-3.6A)
AMP  A1302 (-3.9A)
None
None
AMP  A1302 ( 4.8A)
AMP  A1302 ( 4.0A)
 0.71A 2fumA-2yabA:
27.1		 2fumA-2yabA:
23.58
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		9 LEU A  19
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
ASP A 161
 AMP  A1302 (-3.7A)
AMP  A1302 (-4.2A)
AMP  A1302 (-3.6A)
AMP  A1302 (-3.9A)
None
None
AMP  A1302 ( 4.8A)
AMP  A1302 ( 4.0A)
AMP  A1302 (-3.1A)
 0.72A 2fumA-2yabA:
27.1		 2fumA-2yabA:
23.58
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.
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  97
GLY A  98
VAL A 105
ALA A 121
LYS A 220
ASN A 223
MET A 225
ASP A 236
 STU  A 400 (-3.8A)
STU  A 400 (-3.6A)
STU  A 400 (-4.9A)
STU  A 400 (-3.1A)
None
None
STU  A 400 (-3.6A)
STU  A 400 ( 3.8A)
 0.97A 2fumA-3a62A:
26.7		 2fumA-3a62A:
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  19
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
 4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
None
None
None
4RB  A 401 (-2.8A)
 0.84A 2fumA-3bqrA:
25.8		 2fumA-3bqrA:
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
ASP A 161
 4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
None
None
None
4RB  A 401 (-2.8A)
GOL  A 503 ( 3.1A)
 0.77A 2fumA-3bqrA:
25.8		 2fumA-3bqrA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		7 LEU A  29
GLY A  30
VAL A  37
ALA A  50
ASP A 146
LYS A 148
ASN A 151
 None
 0.76A 2fumA-3dxnA:
27.5		 2fumA-3dxnA:
30.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		7 LEU A  29
VAL A  37
ALA A  50
ASP A 146
LYS A 148
ASN A 151
ASP A 167
 None
 0.89A 2fumA-3dxnA:
27.5		 2fumA-3dxnA:
30.45
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU X  46
GLY X  47
VAL X  54
ASP X 157
LYS X 159
ASN X 162
MET X 164
 CCK  X 351 (-4.0A)
CCK  X 351 ( 4.9A)
CCK  X 351 ( 4.3A)
None
None
None
CCK  X 351 (-3.5A)
 0.84A 2fumA-3e3bX:
24.0		 2fumA-3e3bX:
25.35
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  44
GLY A  45
VAL A  52
ALA A  65
ASP A 167
LYS A 169
ASN A 172
ASP A 186
 985  A   1 (-4.1A)
985  A   1 ( 3.9A)
985  A   1 (-4.5A)
985  A   1 (-3.5A)
None
None
985  A   1 (-4.6A)
985  A   1 ( 4.0A)
 0.84A 2fumA-3f2aA:
21.3		 2fumA-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.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  59
GLY A  60
VAL A  67
ALA A  80
ASP A 179
LYS A 181
ASN A 184
 STU  A   1 (-3.8A)
STU  A   1 (-3.5A)
None
STU  A   1 (-3.4A)
None
None
STU  A   1 ( 4.9A)
 0.58A 2fumA-3fmeA:
20.0		 2fumA-3fmeA:
28.39
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 432
GLY A 433
ALA A 453
ASP A 544
LYS A 546
ASN A 549
ASP A 565
 ANP  A 400 (-4.1A)
ANP  A 400 (-3.6A)
ANP  A 400 ( 3.8A)
None
ANP  A 400 ( 4.2A)
ANP  A 400 ( 4.4A)
None
 0.60A 2fumA-3kn5A:
22.4		 2fumA-3kn5A:
25.67
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  68
VAL A  76
ALA A  89
ASP A 184
LYS A 186
ASN A 189
ASP A 205
 ANP  A 522 (-4.6A)
ANP  A 522 (-4.1A)
ANP  A 522 (-3.6A)
None
ANP  A 522 ( 4.7A)
MG  A 521 ( 2.9A)
MG  A 521 ( 3.6A)
 0.83A 2fumA-3lijA:
28.4		 2fumA-3lijA:
24.13
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  39
GLY A  40
VAL A  47
ALA A  60
ASP A 158
LYS A 160
ASN A 163
ASP A 179
 QUE  A   1 ( 3.8A)
None
QUE  A   1 ( 4.6A)
QUE  A   1 (-3.2A)
None
None
None
QUE  A   1 (-2.9A)
 0.75A 2fumA-3lm5A:
27.6		 2fumA-3lm5A:
27.30
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  33
ALA A  46
ASP A 149
LYS A 151
ALA A 153
ASN A 154
ASP A 167
 None
 0.84A 2fumA-3mi9A:
24.5		 2fumA-3mi9A:
23.78
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  49
GLY A  50
VAL A  57
ALA A  70
VAL A 123
ASP A 166
LYS A 168
ASN A 171
ASP A 184
 XFE  A 351 (-4.2A)
XFE  A 351 ( 4.0A)
XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
XFE  A 351 (-4.2A)
None
None
None
None
 0.67A 2fumA-3mvjA:
8.6		 2fumA-3mvjA:
28.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  88
GLY A  89
VAL A  96
ALA A 109
ASP A 205
LYS A 207
ASN A 210
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.3A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
None
None
None
 0.78A 2fumA-3nuuA:
8.8		 2fumA-3nuuA:
29.17
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.
3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH) 		7 LEU A 156
VAL A 164
ALA A 177
ASP A 274
LYS A 276
ASN A 279
MET A 281
 LEU  A 156 ( 0.6A)
VAL  A 164 ( 0.6A)
ALA  A 177 ( 0.0A)
ASP  A 274 ( 0.5A)
LYS  A 276 ( 0.0A)
ASN  A 279 ( 0.6A)
MET  A 281 ( 0.0A)
 0.83A 2fumA-3o96A:
24.2		 2fumA-3o96A:
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.
3pfq PROTEIN KINASE C
BETA TYPE

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00130
(C1_1)
PF00168
(C2)
PF00433
(Pkinase_C) 		9 LEU A 348
VAL A 356
ALA A 369
VAL A 423
ASP A 466
LYS A 468
ASN A 471
MET A 473
ASP A 484
 ANP  A 800 ( 4.4A)
ANP  A 800 ( 4.7A)
ANP  A 800 (-3.6A)
ANP  A 800 (-4.0A)
None
None
ANP  A 800 ( 4.5A)
ANP  A 800 ( 4.6A)
ANP  A 800 (-3.0A)
 0.80A 2fumA-3pfqA:
24.5		 2fumA-3pfqA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 726
GLY A 727
VAL A 734
ALA A 751
ASP A 845
ASN A 850
ASP A 863
 03Q  A   1 (-3.8A)
None
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
None
03Q  A   1 (-4.2A)
03Q  A   1 (-4.0A)
 0.69A 2fumA-3pp0A:
26.4		 2fumA-3pp0A:
24.25
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  63
VAL A  71
ALA A  84
ASP A 190
LYS A 192
ASN A 195
ASP A 211
 ANP  A1634 ( 4.3A)
ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
None
CA  A 528 ( 3.0A)
MG  A 529 (-2.2A)
 0.69A 2fumA-3q5iA:
24.9		 2fumA-3q5iA:
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  83
VAL A  90
ALA A 103
ASP A 200
LYS A 202
ASN A 205
ASP A 218
 NM7  A 416 (-3.0A)
NM7  A 416 (-3.7A)
NM7  A 416 ( 3.7A)
None
None
None
EDO  A 417 (-3.7A)
 0.79A 2fumA-3qfvA:
8.3		 2fumA-3qfvA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  50
GLY A  51
VAL A  58
ALA A  71
ASP A 166
LYS A 168
ASN A 171
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
I85  A 350 (-4.4A)
I85  A 350 (-3.3A)
 0.59A 2fumA-3sheA:
22.2		 2fumA-3sheA:
27.14
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 LEU A 361
GLY A 362
VAL A 369
ALA A 382
VAL A 436
ASP A 479
LYS A 481
ASN A 484
 07U  A   1 ( 4.8A)
07U  A   1 ( 4.2A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
07U  A   1 (-3.8A)
None
None
None
 0.71A 2fumA-3txoA:
23.8		 2fumA-3txoA:
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 LEU A 361
VAL A 369
ALA A 382
VAL A 436
ASP A 479
LYS A 481
ASN A 484
ASP A 497
 07U  A   1 ( 4.8A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
07U  A   1 (-3.8A)
None
None
None
07U  A   1 (-3.6A)
 0.76A 2fumA-3txoA:
23.8		 2fumA-3txoA:
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.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		7 LEU A 295
GLY A 296
VAL A 303
ALA A 315
ASP A 416
ALA A 420
ASN A 421
 None
 1.06A 2fumA-3ulzA:
2.1		 2fumA-3ulzA:
26.96
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.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		7 LEU A 295
GLY A 296
VAL A 303
ASP A 416
ALA A 420
ASN A 421
ASP A 434
 None
 0.96A 2fumA-3ulzA:
2.1		 2fumA-3ulzA:
26.96
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 GLY A  84
VAL A  91
ALA A 104
ASP A 201
LYS A 203
ASN A 206
ASP A 219
 None
None
EDO  A1420 (-3.4A)
None
None
None
None
 0.93A 2fumA-4aw2A:
21.1		 2fumA-4aw2A:
21.57
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.
4cfh 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		9 LEU A  22
GLY A  23
VAL A  30
ALA A  43
VAL A  96
ASP A 139
LYS A 141
ASN A 144
ASP A 157
 STU  A1550 (-4.3A)
STU  A1550 (-3.1A)
None
STU  A1550 (-3.1A)
STU  A1550 (-3.8A)
None
None
STU  A1550 (-4.3A)
STU  A1550 (-3.6A)
 1.02A 2fumA-4cfhA:
29.2		 2fumA-4cfhA:
22.62
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
VAL A  23
ALA A  36
ASN A 140
MET A 142
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 0.74A 2fumA-4eutA:
13.9		 2fumA-4eutA:
24.19
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.
4feq TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 LEU A 514
GLY A 515
VAL A 522
ALA A 538
ASP A 645
ASN A 650
MET A 652
 0T8  A 901 (-3.6A)
0T8  A 901 ( 3.9A)
0T8  A 901 ( 4.4A)
0T8  A 901 (-3.2A)
None
None
0T8  A 901 (-3.9A)
 0.97A 2fumA-4feqA:
16.3		 2fumA-4feqA:
26.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  26
GLY A  27
VAL A  34
ALA A  47
VAL A  98
ASP A 141
LYS A 143
ASN A 146
 ATP  A 401 (-3.8A)
ATP  A 401 ( 3.7A)
ATP  A 401 (-4.1A)
ATP  A 401 (-3.6A)
ATP  A 401 (-3.9A)
ATP  A 401 ( 4.6A)
None
ATP  A 401 (-3.4A)
 0.76A 2fumA-4fg8A:
9.8		 2fumA-4fg8A:
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.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 LEU A 855
GLY A 856
VAL A 863
ALA A 880
ASP A 976
ASN A 981
ASP A 994
 IZA  A2001 (-3.7A)
IZA  A2001 ( 4.9A)
None
IZA  A2001 (-3.4A)
None
IZA  A2001 ( 4.7A)
IZA  A2001 ( 4.5A)
 0.76A 2fumA-4gl9A:
25.8		 2fumA-4gl9A:
24.61
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.
4gv1 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 LEU A 156
VAL A 164
ALA A 177
ASP A 274
LYS A 276
ASN A 279
MET A 281
 0XZ  A 501 ( 4.1A)
0XZ  A 501 (-4.5A)
0XZ  A 501 (-3.3A)
None
0XZ  A 501 ( 4.4A)
0XZ  A 501 ( 4.5A)
0XZ  A 501 (-3.5A)
 0.90A 2fumA-4gv1A:
26.7		 2fumA-4gv1A:
24.31
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.
4hvi TYROSINE-PROTEIN
KINASE JAK3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 828
GLY A 829
VAL A 836
ALA A 853
ASP A 949
ASN A 954
ASP A 967
 19S  A1201 (-3.9A)
19S  A1201 (-3.7A)
19S  A1201 (-4.4A)
19S  A1201 (-3.3A)
None
None
19S  A1201 ( 4.1A)
 0.54A 2fumA-4hviA:
26.6		 2fumA-4hviA:
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.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A 406
GLY A 407
VAL A 414
ALA A 427
ASP A 515
LYS A 517
ASN A 520
ASP A 534
 T28  A 701 (-3.8A)
T28  A 701 ( 3.6A)
T28  A 701 (-4.7A)
T28  A 701 (-3.0A)
None
None
T28  A 701 ( 4.9A)
T28  A 701 ( 3.4A)
 0.66A 2fumA-4idtA:
26.6		 2fumA-4idtA:
29.81
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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		7 GLY A 179
VAL A 186
ASP A 318
LYS A 320
ALA A 322
ASN A 323
ASP A 338
 None
None
MG  A 601 (-3.1A)
MG  A 601 ( 4.6A)
None
MG  A 601 ( 4.4A)
MG  A 601 (-2.6A)
 0.93A 2fumA-4ix3A:
22.3		 2fumA-4ix3A:
24.72
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.
4ix3 MSSTT7D PROTEIN

(Micromonas
commoda) 		PF00069
(Pkinase) 		7 LEU A 178
GLY A 179
VAL A 186
LYS A 320
ALA A 322
ASN A 323
ASP A 338
 None
None
None
MG  A 601 ( 4.6A)
None
MG  A 601 ( 4.4A)
MG  A 601 (-2.6A)
 0.90A 2fumA-4ix3A:
22.3		 2fumA-4ix3A:
24.72
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.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 GLY A  47
VAL A  54
VAL A 155
ASP A 195
LYS A 197
ASN A 200
MET A 202
 GNP  A 401 (-3.6A)
GNP  A 401 (-4.2A)
GNP  A 401 (-4.0A)
GNP  A 401 (-4.0A)
GNP  A 401 (-3.4A)
MG  A 402 ( 2.6A)
GNP  A 401 (-3.6A)
 0.84A 2fumA-4jr7A:
23.4		 2fumA-4jr7A:
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.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 VAL A  54
VAL A 155
ASP A 195
LYS A 197
ASN A 200
MET A 202
ASP A 214
 GNP  A 401 (-4.2A)
GNP  A 401 (-4.0A)
GNP  A 401 (-4.0A)
GNP  A 401 (-3.4A)
MG  A 402 ( 2.6A)
GNP  A 401 (-3.6A)
GNP  A 401 ( 2.7A)
 0.90A 2fumA-4jr7A:
23.4		 2fumA-4jr7A:
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.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LEU A 273
GLY A 274
VAL A 281
ALA A 293
ASP A 386
ALA A 390
ASN A 391
 0J9  A 601 (-4.0A)
0J9  A 601 ( 4.0A)
0J9  A 601 (-4.4A)
0J9  A 601 (-3.3A)
None
None
None
 0.91A 2fumA-4k11A:
24.5		 2fumA-4k11A:
22.56
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 GLY A  43
VAL A  50
ALA A  61
ASP A 156
LYS A 158
ASN A 161
ASP A 175
 1UL  A 501 ( 4.1A)
1UL  A 501 ( 4.9A)
1UL  A 501 (-3.1A)
None
None
None
1UL  A 501 (-4.2A)
 0.71A 2fumA-4l52A:
8.8		 2fumA-4l52A:
27.17
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU E  45
GLY E  46
VAL E  53
VAL E 116
ASP E 156
LYS E 158
MET E 163
 None
 0.85A 2fumA-4md8E:
16.5		 2fumA-4md8E:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU E  45
VAL E  53
VAL E 116
ASP E 156
LYS E 158
ASN E 161
MET E 163
ASP E 175
 None
 0.84A 2fumA-4md8E:
16.5		 2fumA-4md8E:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 903
GLY A 904
VAL A 911
ALA A 928
VAL A 981
ASN A1028
ASP A1041
 2TT  A1202 (-3.5A)
2TT  A1202 ( 4.2A)
2TT  A1202 (-4.5A)
2TT  A1202 ( 3.9A)
2TT  A1202 (-3.7A)
2TT  A1202 (-4.5A)
2TT  A1202 (-4.6A)
 0.53A 2fumA-4oliA:
24.9		 2fumA-4oliA:
20.18
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.
4ra4 PROTEIN KINASE C

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 VAL A 353
ALA A 366
VAL A 420
ASP A 463
LYS A 465
ASN A 468
ASP A 481
 3KZ  A 701 (-3.9A)
3KZ  A 701 (-3.4A)
3KZ  A 701 (-4.1A)
None
None
3KZ  A 701 (-4.1A)
3KZ  A 701 (-2.9A)
 0.79A 2fumA-4ra4A:
25.5		 2fumA-4ra4A:
25.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra4 PROTEIN KINASE C

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 VAL A 353
ALA A 366
VAL A 420
ASP A 463
LYS A 465
ASN A 468
MET A 470
 3KZ  A 701 (-3.9A)
3KZ  A 701 (-3.4A)
3KZ  A 701 (-4.1A)
None
None
3KZ  A 701 (-4.1A)
3KZ  A 701 ( 4.0A)
 0.83A 2fumA-4ra4A:
25.5		 2fumA-4ra4A:
25.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		9 LEU A  24
GLY A  25
VAL A  32
ALA A  45
VAL A  98
ASP A 141
LYS A 143
ASN A 146
ASP A 159
 STU  A 601 (-3.7A)
STU  A 601 (-3.5A)
STU  A 601 ( 4.8A)
STU  A 601 (-3.2A)
STU  A 601 (-4.1A)
None
None
STU  A 601 (-4.2A)
STU  A 601 (-3.7A)
 0.90A 2fumA-4rewA:
29.2		 2fumA-4rewA:
19.16
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		8 LEU A 104
GLY A 105
VAL A 112
ALA A 125
VAL A 178
ASP A 221
LYS A 223
ASN A 226
 ATP  A 501 ( 4.3A)
ATP  A 501 (-3.5A)
ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-4.2A)
ATP  A 501 (-4.2A)
ATP  A 501 (-2.7A)
ZN  A 502 ( 2.5A)
 0.57A 2fumA-4wb7A:
27.1		 2fumA-4wb7A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		7 VAL A 112
ALA A 125
VAL A 178
ASP A 221
LYS A 223
ASN A 226
ASP A 239
 ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-4.2A)
ATP  A 501 (-4.2A)
ATP  A 501 (-2.7A)
ZN  A 502 ( 2.5A)
ZN  A 503 (-1.9A)
 0.68A 2fumA-4wb7A:
27.1		 2fumA-4wb7A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  34
GLY A  35
VAL A  42
ALA A  55
ASP A 151
LYS A 153
ASN A 156
 ADP  A 506 ( 3.8A)
ADP  A 506 (-3.5A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
None
MG  A 505 ( 2.7A)
 0.55A 2fumA-4ysjA:
29.9		 2fumA-4ysjA:
24.24
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  34
VAL A  42
ALA A  55
ASP A 151
LYS A 153
ASN A 156
ASP A 172
 ADP  A 506 ( 3.8A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
None
MG  A 505 ( 2.7A)
ADP  A 506 ( 2.4A)
 0.63A 2fumA-4ysjA:
29.9		 2fumA-4ysjA:
24.24
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.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 903
GLY A 904
VAL A 911
ALA A 928
VAL A 981
ASN A1028
ASP A1041
 5U3  A1200 (-3.8A)
5U3  A1200 ( 3.7A)
5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
5U3  A1200 (-3.5A)
5U3  A1200 (-4.7A)
5U3  A1200 ( 4.9A)
 0.51A 2fumA-5f1zA:
26.4		 2fumA-5f1zA:
26.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		7 LEU A  20
GLY A  21
VAL A  28
ALA A  41
VAL A  93
LYS A 138
ASN A 141
 ADP  A 301 ( 4.0A)
ADP  A 301 (-3.6A)
ADP  A 301 (-3.7A)
ADP  A 301 (-3.5A)
ADP  A 301 (-4.0A)
TPO  B 787 ( 2.7A)
MG  A 302 ( 2.8A)
 0.51A 2fumA-5hu3A:
30.5		 2fumA-5hu3A:
32.49
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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		9 LEU A  22
GLY A  23
VAL A  30
ALA A  43
VAL A  96
ASP A 139
LYS A 141
ASN A 144
ASP A 157
 STU  A 601 (-4.1A)
STU  A 601 (-3.4A)
STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
STU  A 601 (-4.0A)
None
None
STU  A 601 (-4.3A)
STU  A 601 (-3.5A)
 0.73A 2fumA-5isoA:
28.7		 2fumA-5isoA:
19.59
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  23
VAL A  30
ALA A  43
ASP A 136
LYS A 138
ASN A 141
ASP A 154
 None
6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
None
None
None
6G2  A 901 (-3.4A)
 0.80A 2fumA-5j5tA:
25.5		 2fumA-5j5tA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzn SERINE/THREONINE-PRO
TEIN KINASE DCLK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 404
ALA A 417
VAL A 468
ASP A 511
LYS A 513
ASN A 516
ASP A 533
 GUI  A 701 (-4.4A)
GUI  A 701 ( 3.9A)
GUI  A 701 (-4.0A)
None
None
GUI  A 701 (-4.4A)
GUI  A 701 ( 4.8A)
 0.74A 2fumA-5jznA:
22.3		 2fumA-5jznA:
25.40
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.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  45
VAL A  53
ASP A 156
LYS A 158
ASN A 161
MET A 163
ASP A 175
 HC4  A 401 ( 4.8A)
None
None
None
None
HC4  A 401 ( 4.0A)
HC4  A 401 (-4.0A)
 0.88A 2fumA-5movA:
24.6		 2fumA-5movA:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 12 LEU A  17
GLY A  18
VAL A  25
ALA A  38
VAL A  95
ASP A 138
LYS A 140
ALA A 142
ASN A 143
MET A 145
MET A 155
ASP A 156
 G93  A 301 ( 3.8A)
G93  A 301 ( 3.2A)
G93  A 301 (-3.4A)
G93  A 301 ( 3.7A)
G93  A 301 (-4.1A)
None
G93  A 301 ( 4.3A)
G93  A 301 ( 3.1A)
MG  A 310 (-3.2A)
G93  A 301 ( 3.7A)
G93  A 301 (-3.4A)
G93  A 301 ( 3.2A)
 0.57A 2fumA-5u94A:
40.4		 2fumA-5u94A:
84.04
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 VAL A 205
ALA A 218
ASP A 317
LYS A 319
ALA A 321
ASN A 322
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
None
None
None
QRW  A 601 (-3.7A)
 0.85A 2fumA-5uuuA:
27.3		 2fumA-5uuuA:
22.84
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.
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A 116
VAL A 124
ALA A 137
ASP A 233
LYS A 235
ALA A 237
ASN A 238
ASP A 251
 H8H  A 401 (-3.7A)
H8H  A 401 (-4.7A)
H8H  A 401 (-3.3A)
None
EDO  A 402 (-3.4A)
H8H  A 401 ( 4.4A)
EDO  A 402 (-3.9A)
EDO  A 402 ( 2.9A)
 0.87A 2fumA-5vcxA:
20.8		 2fumA-5vcxA:
28.61
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 9 LEU A 686
GLY A 687
VAL A 694
ALA A 707
VAL A 757
ASP A 803
LYS A 805
ASN A 808
ASP A 822
 9E1  A1001 (-3.7A)
9E1  A1001 ( 3.4A)
9E1  A1001 ( 4.0A)
9E1  A1001 (-3.5A)
9E1  A1001 (-3.9A)
None
None
9E1  A1001 ( 4.0A)
9E1  A1001 (-3.6A)
 0.77A 2fumA-5vilA:
29.0		 2fumA-5vilA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		7 GLY A  50
VAL A  57
ALA A  70
ASP A 160
LYS A 162
ASN A 165
MET A 167
 ATP  A 403 (-3.4A)
ATP  A 403 (-3.9A)
ATP  A 403 (-3.4A)
None
None
ATP  A 403 ( 4.7A)
ATP  A 403 ( 3.7A)
 0.91A 2fumA-5xvuA:
24.0		 2fumA-5xvuA:
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.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 7 VAL A 212
ALA A 225
VAL A 276
ASP A 319
LYS A 321
ASN A 324
ASP A 339
 None
 0.86A 2fumA-5xzwA:
22.0		 2fumA-5xzwA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 7 VAL A  27
ALA A  40
VAL A  98
ASP A 141
LYS A 143
ASN A 146
ASP A 159
 CJJ  A 301 (-4.6A)
CJJ  A 301 (-3.5A)
CJJ  A 301 (-3.5A)
None
None
CJJ  A 301 (-3.5A)
CJJ  A 301 (-4.3A)
 0.78A 2fumA-6b2qA:
35.4		 2fumA-6b2qA:
58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 7 GLY A 734
VAL A 741
ALA A 754
ASP A 859
LYS A 861
ASN A 864
ASP A 877
 CJM  A1102 (-3.4A)
None
CJM  A1102 (-3.1A)
MG  A1101 (-3.7A)
None
MG  A1101 ( 4.4A)
MG  A1101 (-2.5A)
 0.83A 2fumA-6b3eA:
25.7		 2fumA-6b3eA:
13.36
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.
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 8 LEU A 366
GLY A 367
VAL A 374
ALA A 388
ASP A 484
LYS A 486
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
DMS  A 702 ( 4.4A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.55A 2fumA-6c0tA:
20.6		 2fumA-6c0tA:
13.76
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.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 7 GLY A  67
VAL A  74
ALA A  87
ASP A 182
LYS A 184
ASN A 187
ASP A 200
 None
 0.78A 2fumA-6c9dA:
27.0		 2fumA-6c9dA:
15.44
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 8 GLY A 172
VAL A 179
ALA A 192
VAL A 270
ASP A 312
LYS A 314
ASN A 317
ASP A 330
 F6J  A 501 ( 3.9A)
F6J  A 501 (-4.6A)
F6J  A 501 (-3.4A)
F6J  A 501 (-4.0A)
None
None
F6J  A 501 ( 4.7A)
F6J  A 501 (-3.8A)
 0.58A 2fumA-6cmjA:
20.5		 2fumA-6cmjA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cth CONCANAVALIN A-LIKE
LECTIN PROTEIN
KINASE FAMILY
PROTEIN

(Theobroma cacao) 		no annotation 7 LEU A 275
VAL A 283
ALA A 296
ASP A 393
LYS A 395
ASN A 398
MET A 400
 FE7  A 601 (-3.8A)
FE7  A 601 ( 4.3A)
FE7  A 601 (-3.3A)
MG  A 602 (-3.0A)
MG  A 602 ( 4.8A)
MG  A 602 ( 4.4A)
FE7  A 601 (-3.8A)
 1.00A 2fumA-6cthA:
15.7		 2fumA-6cthA:
14.48