SIMILAR PATTERNS OF AMINO ACIDS FOR 2FUM_D_MIXD3539_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.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  70
GLY A  71
VAL A  78
ALA A  91
MET A 138
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)
STU  A 401 (-3.2A)
None
STU  A 401 (-4.5A)
STU  A 401 (-3.6A)
 0.85A 2fumD-1nxkA:
21.6		 2fumD-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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		7 GLY A 212
GLY A 214
VAL A 219
ALA A 230
LYS A 335
ASN A 338
ASP A 351
 None
None
PY1  A 700 ( 4.7A)
PY1  A 700 (-3.5A)
None
None
PY1  A 700 (-2.7A)
 0.97A 2fumD-1py5A:
16.0		 2fumD-1py5A:
24.00
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  78
GLY A  79
GLY A  81
VAL A  86
ALA A  99
MET A 147
LYS A 196
ASN A 199
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.8A)
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)
 1.13A 2fumD-1s9iA:
20.6		 2fumD-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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  78
VAL A  86
ALA A  99
MET A 147
LYS A 196
ASN A 199
ASP A 212
 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)
MG  A 536 (-3.3A)
 0.90A 2fumD-1s9iA:
20.6		 2fumD-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) 		6 LEU A 344
GLY A 345
VAL A 352
ALA A 367
MET A 414
ASN A 466
 STU  A 100 (-3.8A)
STU  A 100 (-3.3A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
STU  A 100 (-3.6A)
STU  A 100 (-4.2A)
 0.49A 2fumD-1u59A:
25.3		 2fumD-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) 		6 GLY A  35
VAL A  42
ALA A  55
MET A 105
LYS A 153
ASN A 156
 None
 0.55A 2fumD-1u5qA:
26.5		 2fumD-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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  19
GLY A  20
GLY A  22
VAL A  27
ALA A  40
LYS A 141
ASN A 144
 None
None
None
None
GOL  A3001 (-3.5A)
None
None
 0.59A 2fumD-2a2aA:
25.4		 2fumD-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) 		7 LEU A  19
GLY A  20
GLY A  22
VAL A  27
LYS A 141
ASN A 144
MET A 146
 None
None
None
None
None
None
GOL  A3001 (-4.4A)
 0.97A 2fumD-2a2aA:
25.4		 2fumD-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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 GLY A  35
GLY A  37
VAL A  42
ALA A  55
MET A 105
ASN A 156
 STU  A 400 (-3.3A)
None
STU  A 400 ( 4.8A)
STU  A 400 (-3.2A)
STU  A 400 ( 3.7A)
STU  A 400 (-4.4A)
 0.58A 2fumD-2gcdA:
27.5		 2fumD-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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		6 GLY A  35
VAL A  42
ALA A  55
MET A 105
LYS A 153
ASN A 156
 STU  A 400 (-3.3A)
STU  A 400 ( 4.8A)
STU  A 400 (-3.2A)
STU  A 400 ( 3.7A)
None
STU  A 400 (-4.4A)
 0.55A 2fumD-2gcdA:
27.5		 2fumD-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.
2i0e PROTEIN KINASE
C-BETA II

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 LEU A 348
VAL A 356
ALA A 369
MET A 420
LYS A 468
ASN A 471
MET A 473
 PDS  A 901 (-3.9A)
PDS  A 901 (-4.2A)
PDS  A 901 (-3.3A)
PDS  A 901 ( 4.8A)
None
PDS  A 901 (-4.3A)
PDS  A 901 (-3.6A)
 0.83A 2fumD-2i0eA:
24.2		 2fumD-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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  29
GLY A  30
GLY A  32
VAL A  37
ALA A  50
MET A  98
 QPP  A1314 (-3.7A)
QPP  A1314 ( 3.7A)
None
QPP  A1314 ( 4.6A)
QPP  A1314 ( 3.7A)
QPP  A1314 ( 4.1A)
 0.50A 2fumD-2jc6A:
23.1		 2fumD-2jc6A:
27.61
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		6 LEU A 344
GLY A 345
GLY A 347
VAL A 352
ALA A 367
MET A 414
 ANP  A 615 (-4.4A)
ANP  A 615 ( 4.4A)
ANP  A 615 (-3.6A)
ANP  A 615 (-4.5A)
ANP  A 615 (-3.3A)
ANP  A 615 ( 3.9A)
 0.49A 2fumD-2ozoA:
23.7		 2fumD-2ozoA:
19.71
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		7 LEU A 344
GLY A 347
VAL A 352
ALA A 367
MET A 414
ASN A 466
ASP A 479
 ANP  A 615 (-4.4A)
ANP  A 615 (-3.6A)
ANP  A 615 (-4.5A)
ANP  A 615 (-3.3A)
ANP  A 615 ( 3.9A)
ANP  A 615 ( 3.3A)
MG  A 614 ( 3.2A)
 0.90A 2fumD-2ozoA:
23.7		 2fumD-2ozoA:
19.71
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU X  70
GLY X  71
GLY X  73
VAL X  78
ALA X  91
MET X 138
LYS X 188
ASN X 191
 F10  X 401 (-3.9A)
F10  X 401 ( 4.3A)
F10  X 401 ( 4.1A)
None
F10  X 401 (-3.4A)
F10  X 401 ( 4.0A)
None
None
 1.07A 2fumD-2p3gX:
20.0		 2fumD-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
GLY A  28
VAL A  33
ALA A  46
LYS A 151
ASN A 154
 ATP  A 381 ( 4.3A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.0A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.2A)
MN  A 383 ( 2.7A)
 0.62A 2fumD-2phkA:
26.7		 2fumD-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.
2v55 RHO-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  83
GLY A  85
VAL A  90
ALA A 103
MET A 153
LYS A 200
ASN A 203
 ANP  A1480 ( 4.3A)
ANP  A1480 ( 3.8A)
None
ANP  A1480 ( 3.9A)
ANP  A1480 (-4.1A)
ANP  A1480 (-2.9A)
MG  A1481 (-3.5A)
 1.09A 2fumD-2v55A:
21.8		 2fumD-2v55A:
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.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  19
GLY A  20
GLY A  22
VAL A  27
ALA A  40
LYS A 141
ASN A 144
MET A 146
 ADP  A1303 ( 3.9A)
ADP  A1303 (-3.4A)
ADP  A1303 ( 3.8A)
ADP  A1303 (-4.0A)
ADP  A1303 (-3.5A)
None
MG  A1304 ( 4.2A)
ADP  A1303 (-4.2A)
 0.87A 2fumD-2w4kA:
25.3		 2fumD-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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		8 LEU A  19
GLY A  20
GLY A  22
VAL A  27
ALA A  40
LYS A 141
ASN A 144
MET A 146
 AMP  A1302 (-3.7A)
AMP  A1302 (-3.5A)
AMP  A1302 ( 4.6A)
AMP  A1302 (-4.2A)
AMP  A1302 (-3.6A)
None
AMP  A1302 ( 4.8A)
AMP  A1302 ( 4.0A)
 0.82A 2fumD-2yabA:
25.6		 2fumD-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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  68
GLY A  69
GLY A  71
VAL A  76
ALA A  92
LYS A 189
ASN A 192
 STU  A   1 (-3.8A)
STU  A   1 (-3.3A)
STU  A   1 ( 4.1A)
None
STU  A   1 (-3.3A)
None
STU  A   1 (-4.3A)
 0.80A 2fumD-2z7rA:
25.4		 2fumD-2z7rA:
27.61
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.
2z8c INSULIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A1002
GLY A1003
GLY A1005
VAL A1010
ALA A1028
MET A1076
ASN A1137
 S91  A   1 ( 4.1A)
S91  A   1 ( 3.9A)
None
S91  A   1 ( 4.9A)
S91  A   1 (-3.2A)
S91  A   1 ( 4.9A)
None
 0.89A 2fumD-2z8cA:
24.7		 2fumD-2z8cA:
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.
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  97
GLY A  98
GLY A 100
VAL A 105
ALA A 121
LYS A 220
ASN A 223
MET A 225
 STU  A 400 (-3.8A)
STU  A 400 (-3.6A)
None
STU  A 400 (-4.9A)
STU  A 400 (-3.1A)
None
None
STU  A 400 (-3.6A)
 1.09A 2fumD-3a62A:
26.1		 2fumD-3a62A:
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) 		8 LEU A  29
GLY A  30
VAL A  37
ALA A  50
MET A 100
LYS A 148
ASN A 151
ASP A 167
 None
 0.97A 2fumD-3dxnA:
27.2		 2fumD-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
GLY X  49
VAL X  54
LYS X 159
ASN X 162
MET X 164
 CCK  X 351 (-4.0A)
CCK  X 351 ( 4.9A)
None
CCK  X 351 ( 4.3A)
None
None
CCK  X 351 (-3.5A)
 0.90A 2fumD-3e3bX:
14.8		 2fumD-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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
MET A 117
ASP A 185
 DRK  A 384 (-3.8A)
DRK  A 384 ( 4.4A)
None
None
DRK  A 384 (-3.5A)
DRK  A 384 (-3.8A)
DRK  A 384 ( 4.7A)
 0.88A 2fumD-3eb0A:
17.4		 2fumD-3eb0A:
27.45
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		8 LEU A  15
GLY A  16
VAL A  23
ALA A  36
MET A 117
LYS A 168
ASN A 171
ASP A 185
 DRK  A 384 (-3.8A)
DRK  A 384 ( 4.4A)
None
DRK  A 384 (-3.5A)
DRK  A 384 (-3.8A)
None
DRK  A 384 ( 4.6A)
DRK  A 384 ( 4.7A)
 0.89A 2fumD-3eb0A:
17.4		 2fumD-3eb0A:
27.45
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		8 LEU A  15
VAL A  23
ALA A  36
MET A 117
THR A 123
LYS A 168
ASN A 171
ASP A 185
 DRK  A 384 (-3.8A)
None
DRK  A 384 (-3.5A)
DRK  A 384 (-3.8A)
DRK  A 384 ( 4.5A)
None
DRK  A 384 ( 4.6A)
DRK  A 384 ( 4.7A)
 1.00A 2fumD-3eb0A:
17.4		 2fumD-3eb0A:
27.45
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  44
GLY A  45
GLY A  47
VAL A  52
ALA A  65
LYS A 169
ASN A 172
 985  A   1 (-4.1A)
985  A   1 ( 3.9A)
None
985  A   1 (-4.5A)
985  A   1 (-3.5A)
None
985  A   1 (-4.6A)
 0.81A 2fumD-3f2aA:
19.5		 2fumD-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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  44
GLY A  47
VAL A  52
ALA A  65
LYS A 169
ASN A 172
ASP A 186
 985  A   1 (-4.1A)
None
985  A   1 (-4.5A)
985  A   1 (-3.5A)
None
985  A   1 (-4.6A)
985  A   1 ( 4.0A)
 0.88A 2fumD-3f2aA:
19.5		 2fumD-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
GLY A  62
VAL A  67
ALA A  80
MET A 129
ASN A 184
 STU  A   1 (-3.8A)
STU  A   1 (-3.5A)
None
None
STU  A   1 (-3.4A)
STU  A   1 ( 3.8A)
STU  A   1 ( 4.9A)
 0.53A 2fumD-3fmeA:
20.8		 2fumD-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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  82
GLY A  83
VAL A  90
ALA A 103
MET A 153
ASN A 204
ASP A 220
 J60  A 540 (-3.8A)
J60  A 540 ( 4.3A)
None
J60  A 540 (-3.6A)
GOL  A   1 ( 3.0A)
GOL  A 542 ( 4.8A)
J60  A 540 ( 3.6A)
 0.64A 2fumD-3hztA:
22.1		 2fumD-3hztA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 LEU A 680
GLY A 681
GLY A 683
VAL A 689
ALA A 700
ASN A 802
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
MG  A2102 ( 2.9A)
 0.59A 2fumD-3lj0A:
24.3		 2fumD-3lj0A:
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  39
GLY A  40
VAL A  47
ALA A  60
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
QUE  A   1 (-2.9A)
 0.65A 2fumD-3lm5A:
26.1		 2fumD-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.
3mtl CELL DIVISION
PROTEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 171
GLY A 172
GLY A 174
VAL A 179
ALA A 192
LYS A 288
ASN A 291
 FEF  A 668 ( 3.8A)
FEF  A 668 ( 4.2A)
None
FEF  A 668 (-4.9A)
FEF  A 668 (-3.3A)
FEF  A 668 ( 4.9A)
FEF  A 668 (-3.9A)
 0.76A 2fumD-3mtlA:
15.8		 2fumD-3mtlA:
24.38
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  50
GLY A  52
VAL A  57
ALA A  70
LYS A 168
ASN A 171
ASP A 184
 XFE  A 351 ( 4.0A)
None
XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
None
None
None
 0.87A 2fumD-3mvjA:
25.2		 2fumD-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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  49
GLY A  50
GLY A  52
VAL A  57
ALA A  70
MET A 120
LYS A 168
ASN A 171
 XFE  A 351 (-4.2A)
XFE  A 351 ( 4.0A)
None
XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
XFE  A 351 ( 4.0A)
None
None
 0.66A 2fumD-3mvjA:
25.2		 2fumD-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
GLY A  91
VAL A  96
ALA A 109
LYS A 207
ASN A 210
 JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.3A)
SO4  A   5 ( 4.4A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
None
None
 0.76A 2fumD-3nuuA:
26.5		 2fumD-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
MET A 227
LYS A 276
ASN A 279
MET A 281
 LEU  A 156 ( 0.6A)
VAL  A 164 ( 0.6A)
ALA  A 177 ( 0.0A)
MET  A 227 ( 0.0A)
LYS  A 276 ( 0.0A)
ASN  A 279 ( 0.6A)
MET  A 281 ( 0.0A)
 0.92A 2fumD-3o96A:
24.0		 2fumD-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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		7 LEU A  21
GLY A  22
GLY A  24
VAL A  29
ALA A  42
MET A  96
LYS A 147
 None
 0.76A 2fumD-3qa8A:
21.4		 2fumD-3qa8A:
18.84
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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		7 LEU A  21
GLY A  22
VAL A  29
ALA A  42
MET A  96
LYS A 147
ASN A 150
 None
 1.05A 2fumD-3qa8A:
21.4		 2fumD-3qa8A:
18.84
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  83
GLY A  85
VAL A  90
ALA A 103
MET A 153
LYS A 202
ASN A 205
 NM7  A 416 (-3.0A)
None
NM7  A 416 (-3.7A)
NM7  A 416 ( 3.7A)
NM7  A 416 (-3.6A)
None
None
 0.64A 2fumD-3qfvA:
22.9		 2fumD-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) 		7 LEU A  50
GLY A  51
GLY A  53
VAL A  58
ALA A  71
LYS A 168
ASN A 171
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
I85  A 350 (-4.4A)
 0.85A 2fumD-3sheA:
20.8		 2fumD-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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  50
GLY A  51
VAL A  58
ALA A  71
MET A 118
LYS A 168
ASN A 171
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
I85  A 350 (-4.4A)
 0.67A 2fumD-3sheA:
20.8		 2fumD-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) 		7 LEU A 361
GLY A 362
VAL A 369
ALA A 382
MET A 433
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 ( 4.3A)
None
None
 0.60A 2fumD-3txoA:
22.7		 2fumD-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.
3w18 AURORA KINASE A

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A 139
GLY A 140
VAL A 147
ALA A 160
THR A 217
ASN A 261
 N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
None
None
 0.52A 2fumD-3w18A:
24.9		 2fumD-3w18A:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  75
GLY A  76
GLY A  78
VAL A  83
ALA A  96
MET A 144
LYS A 193
ASN A 196
 ANP  A 401 (-3.8A)
ANP  A 401 ( 3.7A)
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
ANP  A 401 (-3.2A)
CHU  A 403 (-3.8A)
ANP  A 401 (-3.0A)
MG  A 402 ( 2.9A)
 1.15A 2fumD-3wigA:
26.1		 2fumD-3wigA:
26.82
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  75
VAL A  83
ALA A  96
MET A 144
LYS A 193
ASN A 196
ASP A 209
 ANP  A 401 (-3.8A)
ANP  A 401 ( 4.3A)
ANP  A 401 (-3.2A)
CHU  A 403 (-3.8A)
ANP  A 401 (-3.0A)
MG  A 402 ( 2.9A)
MG  A 402 (-3.2A)
 0.84A 2fumD-3wigA:
26.1		 2fumD-3wigA:
26.82
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		6 GLY A  84
VAL A  91
ALA A 104
MET A 154
LYS A 203
ASN A 206
 None
None
EDO  A1420 (-3.4A)
None
None
None
 0.55A 2fumD-4aw2A:
23.0		 2fumD-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) 		7 LEU A  22
GLY A  23
VAL A  30
ALA A  43
MET A  93
LYS A 141
ASN A 144
 STU  A1550 (-4.3A)
STU  A1550 (-3.1A)
None
STU  A1550 (-3.1A)
STU  A1550 (-3.7A)
None
STU  A1550 (-4.3A)
 0.75A 2fumD-4cfhA:
27.0		 2fumD-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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 LEU A 663
GLY A 666
VAL A 671
ALA A 684
MET A 737
LYS A 784
ASN A 787
 AGS  A1985 (-4.2A)
AGS  A1985 (-2.9A)
AGS  A1985 (-4.6A)
AGS  A1985 (-3.5A)
AGS  A1985 (-4.2A)
AGS  A1985 ( 3.8A)
MG  A1986 ( 3.2A)
 0.90A 2fumD-4crsA:
24.7		 2fumD-4crsA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eqm PROTEIN KINASE

(Staphylococcus
aureus) 		PF00069
(Pkinase) 		7 LEU A  16
VAL A  24
ALA A  37
MET A  87
THR A  94
LYS A 135
ASN A 138
 ANP  A 300 (-4.7A)
ANP  A 300 ( 4.7A)
ANP  A 300 ( 3.8A)
ANP  A 300 (-3.6A)
None
None
None
 0.84A 2fumD-4eqmA:
30.0		 2fumD-4eqmA:
40.68
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  15
GLY A  16
GLY A  18
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 (-3.5A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 1.12A 2fumD-4eutA:
13.0		 2fumD-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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
LYS A 137
ASN A 140
MET A 142
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-3.5A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
BX7  A 401 (-3.9A)
 1.02A 2fumD-4eutA:
13.0		 2fumD-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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
VAL A  23
ALA A  36
MET A  86
LYS A 137
ASN A 140
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 (-4.5A)
None
None
 0.69A 2fumD-4eutA:
13.0		 2fumD-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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
LYS A 137
MET A 142
 BX7  A 401 (-3.9A)
BX7  A 401 ( 3.8A)
BX7  A 401 (-3.7A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.0A)
 0.94A 2fumD-4euuA:
24.3		 2fumD-4euuA:
28.33
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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
MET A  86
LYS A 137
 BX7  A 401 (-3.9A)
BX7  A 401 ( 3.8A)
BX7  A 401 (-3.7A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
BX7  A 401 (-3.7A)
None
 0.76A 2fumD-4euuA:
24.3		 2fumD-4euuA:
28.33
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  65
GLY A  67
VAL A  72
ALA A  88
MET A 134
LYS A 179
ASN A 182
 ADP  A 601 ( 3.8A)
ADP  A 601 (-3.7A)
ADP  A 601 (-4.0A)
ADP  A 601 (-3.5A)
ADP  A 601 ( 3.9A)
None
MG  A 602 ( 2.6A)
 0.93A 2fumD-4f99A:
16.0		 2fumD-4f99A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  26
GLY A  27
GLY A  29
VAL A  34
ALA A  47
MET A  95
ASN A 146
 ATP  A 401 (-3.8A)
ATP  A 401 ( 3.7A)
ATP  A 401 (-3.2A)
ATP  A 401 (-4.1A)
ATP  A 401 (-3.6A)
ATP  A 401 ( 4.3A)
ATP  A 401 (-3.4A)
 0.63A 2fumD-4fg8A:
25.1		 2fumD-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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		6 LEU A 377
GLY A 378
GLY A 380
VAL A 385
ALA A 400
MET A 448
 ANP  A 701 ( 4.6A)
ANP  A 701 ( 4.0A)
ANP  A 701 (-3.5A)
ANP  A 701 (-4.1A)
ANP  A 701 (-3.3A)
ANP  A 701 ( 3.7A)
 0.46A 2fumD-4fl3A:
24.4		 2fumD-4fl3A:
19.22
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		7 LEU A 377
GLY A 380
VAL A 385
ALA A 400
MET A 448
ASN A 499
ASP A 512
 ANP  A 701 ( 4.6A)
ANP  A 701 (-3.5A)
ANP  A 701 (-4.1A)
ANP  A 701 (-3.3A)
ANP  A 701 ( 3.7A)
MG  A 702 ( 3.0A)
MG  A 702 ( 3.1A)
 0.83A 2fumD-4fl3A:
24.4		 2fumD-4fl3A:
19.22
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.
4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 598
GLY A 599
GLY A 601
VAL A 606
LYS A 938
ASN A 941
ASP A 954
 924  A1101 ( 4.1A)
None
None
924  A1101 ( 4.8A)
None
None
924  A1101 (-3.7A)
 1.06A 2fumD-4g34A:
23.4		 2fumD-4g34A:
27.81
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.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		7 GLY A 409
VAL A 416
ALA A 429
MET A 471
LYS A 519
ASN A 522
ASP A 536
 0WB  A 701 ( 4.4A)
0WB  A 701 (-4.4A)
0WB  A 701 (-3.3A)
0WB  A 701 (-3.9A)
None
0WB  A 701 (-4.1A)
0WB  A 701 (-3.1A)
 1.25A 2fumD-4g3fA:
24.5		 2fumD-4g3fA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 LEU A 855
GLY A 856
GLY A 858
VAL A 863
ALA A 880
MET A 929
ASN A 981
 IZA  A2001 (-3.7A)
IZA  A2001 ( 4.9A)
IZA  A2001 ( 3.7A)
None
IZA  A2001 (-3.4A)
IZA  A2001 (-4.4A)
IZA  A2001 ( 4.7A)
 0.87A 2fumD-4gl9A:
24.4		 2fumD-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) 		9 LEU A 156
GLY A 157
VAL A 164
ALA A 177
MET A 227
LYS A 276
ASN A 279
MET A 281
ASP A 292
 0XZ  A 501 ( 4.1A)
GOL  A 505 ( 3.4A)
0XZ  A 501 (-4.5A)
0XZ  A 501 (-3.3A)
0XZ  A 501 (-3.8A)
0XZ  A 501 ( 4.4A)
0XZ  A 501 ( 4.5A)
0XZ  A 501 (-3.5A)
0XZ  A 501 ( 3.4A)
 0.86A 2fumD-4gv1A:
25.4		 2fumD-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
GLY A 831
VAL A 836
ALA A 853
MET A 902
ASN A 954
 19S  A1201 (-3.9A)
19S  A1201 (-3.7A)
19S  A1201 ( 4.3A)
19S  A1201 (-4.4A)
19S  A1201 (-3.3A)
19S  A1201 (-3.6A)
None
 0.56A 2fumD-4hviA:
24.8		 2fumD-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) 		7 GLY A 407
VAL A 414
ALA A 427
MET A 469
LYS A 517
ASN A 520
ASP A 534
 T28  A 701 ( 3.6A)
T28  A 701 (-4.7A)
T28  A 701 (-3.0A)
T28  A 701 (-2.6A)
None
T28  A 701 ( 4.9A)
T28  A 701 ( 3.4A)
 0.94A 2fumD-4idtA:
24.7		 2fumD-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.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A 406
GLY A 407
VAL A 414
ALA A 427
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
T28  A 701 ( 4.9A)
T28  A 701 ( 3.4A)
 0.74A 2fumD-4idtA:
24.7		 2fumD-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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
MET A  86
LYS A 137
 SU6  A 701 (-3.6A)
SU6  A 701 (-3.5A)
None
None
SU6  A 701 (-3.4A)
SU6  A 701 (-3.4A)
None
 0.86A 2fumD-4jlcA:
20.8		 2fumD-4jlcA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		7 LEU A  15
GLY A  16
VAL A  23
ALA A  36
MET A  86
LYS A 137
ASN A 140
 SU6  A 701 (-3.6A)
SU6  A 701 (-3.5A)
None
SU6  A 701 (-3.4A)
SU6  A 701 (-3.4A)
None
None
 0.78A 2fumD-4jlcA:
20.8		 2fumD-4jlcA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrn RHOPTRY KINASE
FAMILY PROTEIN

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		7 LEU A 258
GLY A 259
GLY A 261
VAL A 266
ALA A 279
MET A 356
LYS A 411
 ANP  A 601 ( 4.6A)
ANP  A 601 (-3.4A)
ANP  A 601 ( 3.3A)
ANP  A 601 (-4.1A)
ANP  A 601 ( 3.9A)
ANP  A 601 (-3.3A)
MG  A 602 (-3.6A)
 0.86A 2fumD-4jrnA:
19.6		 2fumD-4jrnA:
26.77
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A  43
VAL A  50
ALA A  61
MET A 104
LYS A 158
ASN A 161
 1UL  A 501 ( 4.1A)
1UL  A 501 ( 4.9A)
1UL  A 501 (-3.1A)
1UL  A 501 (-3.6A)
None
None
 0.58A 2fumD-4l52A:
19.3		 2fumD-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
GLY E  48
VAL E  53
LYS E 158
ASN E 161
MET E 163
 None
 0.86A 2fumD-4md8E:
15.1		 2fumD-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.
4red 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  24
GLY A  25
GLY A  27
VAL A  32
ALA A  45
MET A  95
 None
 0.50A 2fumD-4redA:
21.6		 2fumD-4redA:
27.72
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		7 LEU A  24
GLY A  25
VAL A  32
ALA A  45
MET A  95
LYS A 143
ASN A 146
 STU  A 601 (-3.7A)
STU  A 601 (-3.5A)
STU  A 601 ( 4.8A)
STU  A 601 (-3.2A)
STU  A 601 (-4.3A)
None
STU  A 601 (-4.2A)
 0.61A 2fumD-4rewA:
26.8		 2fumD-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
GLY A 107
VAL A 112
ALA A 125
MET A 175
LYS A 223
ASN A 226
 ATP  A 501 ( 4.3A)
ATP  A 501 (-3.5A)
ATP  A 501 (-3.2A)
ATP  A 501 (-4.0A)
ATP  A 501 (-3.4A)
ATP  A 501 (-3.6A)
ATP  A 501 (-2.7A)
ZN  A 502 ( 2.5A)
 0.82A 2fumD-4wb7A:
25.5		 2fumD-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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  52
GLY A  55
VAL A  60
ALA A  72
MET A 126
LYS A 178
ASN A 181
 KSA  A 405 ( 4.0A)
KSA  A 405 ( 4.9A)
KSA  A 405 ( 4.9A)
KSA  A 405 (-3.2A)
KSA  A 405 ( 3.7A)
ZN  A 403 ( 4.3A)
KSA  A 405 (-4.0A)
 0.93A 2fumD-4wsqA:
18.2		 2fumD-4wsqA:
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 LEU A  34
GLY A  35
GLY A  37
VAL A  42
ALA A  55
LYS A 153
ASN A 156
 ADP  A 506 ( 3.8A)
ADP  A 506 (-3.5A)
ADP  A 506 (-2.8A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
MG  A 505 ( 2.7A)
 0.76A 2fumD-4ysjA:
27.9		 2fumD-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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		9 LEU A 577
GLY A 578
GLY A 580
VAL A 586
ALA A 597
THR A 648
LYS A 690
ASN A 693
ASP A 711
 None
 1.02A 2fumD-4z7gA:
21.7		 2fumD-4z7gA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  23
GLY A  25
VAL A  30
ALA A  44
MET A  92
ASN A 143
ASP A 165
 51W  A 401 (-3.3A)
GOL  A 404 ( 3.2A)
51W  A 401 ( 4.3A)
51W  A 401 (-3.4A)
51W  A 401 (-3.9A)
GOL  A 404 ( 4.6A)
GOL  A 404 (-3.2A)
 0.82A 2fumD-5ci7A:
26.1		 2fumD-5ci7A:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		7 GLY A  23
VAL A  30
ALA A  44
MET A  92
LYS A 140
ASN A 143
ASP A 165
 51W  A 401 (-3.3A)
51W  A 401 ( 4.3A)
51W  A 401 (-3.4A)
51W  A 401 (-3.9A)
None
GOL  A 404 ( 4.6A)
GOL  A 404 (-3.2A)
 0.72A 2fumD-5ci7A:
26.1		 2fumD-5ci7A:
31.31
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 GLY A 251
GLY A 253
VAL A 258
ALA A 275
LYS A 381
ASN A 384
 STU  A 601 (-2.9A)
STU  A 601 ( 3.9A)
STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
None
STU  A 601 ( 4.9A)
 0.58A 2fumD-5e8yA:
23.6		 2fumD-5e8yA:
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.
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
MET A 978
ASN A1028
ASP A1041
 5U3  A1200 (-3.8A)
5U3  A1200 ( 3.7A)
5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
5U3  A1200 ( 4.0A)
5U3  A1200 (-4.7A)
5U3  A1200 ( 4.9A)
 0.76A 2fumD-5f1zA:
24.4		 2fumD-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
GLY A  23
VAL A  28
ALA A  41
LYS A 138
ASN A 141
 ADP  A 301 ( 4.0A)
ADP  A 301 (-3.6A)
ADP  A 301 (-2.8A)
ADP  A 301 (-3.7A)
ADP  A 301 (-3.5A)
TPO  B 787 ( 2.7A)
MG  A 302 ( 2.8A)
 0.80A 2fumD-5hu3A:
28.7		 2fumD-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) 		7 LEU A  22
GLY A  23
GLY A  25
VAL A  30
MET A  93
LYS A 141
ASN A 144
 STU  A 601 (-4.1A)
STU  A 601 (-3.4A)
STU  A 601 (-3.7A)
STU  A 601 (-4.8A)
STU  A 601 ( 3.9A)
None
STU  A 601 (-4.3A)
 0.91A 2fumD-5isoA:
26.4		 2fumD-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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		7 LEU A  22
GLY A  23
VAL A  30
ALA A  43
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)
None
STU  A 601 (-4.3A)
STU  A 601 (-3.5A)
 0.89A 2fumD-5isoA:
26.4		 2fumD-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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		7 LEU A  22
GLY A  23
VAL A  30
ALA A  43
MET A  93
LYS A 141
ASN A 144
 STU  A 601 (-4.1A)
STU  A 601 (-3.4A)
STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
STU  A 601 ( 3.9A)
None
STU  A 601 (-4.3A)
 0.65A 2fumD-5isoA:
26.4		 2fumD-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
MET A  90
LYS A 138
ASN A 141
ASP A 154
 None
6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
6G2  A 901 (-3.5A)
None
None
6G2  A 901 (-3.4A)
 0.79A 2fumD-5j5tA:
24.6		 2fumD-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.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 LEU A  45
GLY A  46
GLY A  48
VAL A  53
LYS A 158
ASN A 161
MET A 163
 HC4  A 401 ( 4.8A)
None
None
None
None
None
HC4  A 401 ( 4.0A)
 0.95A 2fumD-5movA:
23.0		 2fumD-5movA:
25.22
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1

(Saccharomyces
cerevisiae) 		no annotation 7 GLY A 359
GLY A 361
VAL A 366
ALA A 379
MET A 429
LYS A 477
ASN A 480
 ANP  A 801 ( 4.1A)
ANP  A 801 (-3.1A)
ANP  A 801 (-4.7A)
ANP  A 801 ( 3.9A)
ANP  A 801 ( 4.5A)
ANP  A 801 (-2.7A)
ANP  A 801 (-3.8A)
 0.80A 2fumD-5nclA:
23.1		 2fumD-5nclA:
12.88
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 9 LEU A  17
GLY A  18
GLY A  20
VAL A  25
ALA A  38
MET A  92
THR A  99
ASN A 143
MET A 145
 G93  A 301 ( 3.8A)
G93  A 301 ( 3.2A)
None
G93  A 301 (-3.4A)
G93  A 301 ( 3.7A)
G93  A 301 (-2.7A)
None
MG  A 310 (-3.2A)
G93  A 301 ( 3.7A)
 0.73A 2fumD-5u94A:
37.9		 2fumD-5u94A:
84.04
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 10 LEU A  17
GLY A  18
VAL A  25
ALA A  38
MET A  92
THR A  99
LYS A 140
ASN A 143
MET A 145
MET A 155
 G93  A 301 ( 3.8A)
G93  A 301 ( 3.2A)
G93  A 301 (-3.4A)
G93  A 301 ( 3.7A)
G93  A 301 (-2.7A)
None
G93  A 301 ( 4.3A)
MG  A 310 (-3.2A)
G93  A 301 ( 3.7A)
G93  A 301 (-3.4A)
 0.64A 2fumD-5u94A:
37.9		 2fumD-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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 7 GLY A 328
GLY A 330
VAL A 335
ALA A 348
MET A 395
LYS A 442
ASP A 458
 M77  A 601 (-3.4A)
M77  A 601 (-2.6A)
M77  A 601 (-4.5A)
M77  A 601 ( 3.5A)
M77  A 601 ( 2.9A)
None
M77  A 601 ( 3.5A)
 0.91A 2fumD-5vefA:
25.4		 2fumD-5vefA:
27.43
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 7 LEU A 686
GLY A 687
VAL A 694
ALA A 707
MET A 754
LYS A 805
ASN A 808
 9E1  A1001 (-3.7A)
9E1  A1001 ( 3.4A)
9E1  A1001 ( 4.0A)
9E1  A1001 (-3.5A)
9E1  A1001 (-2.8A)
None
9E1  A1001 ( 4.0A)
 0.58A 2fumD-5vilA:
19.8		 2fumD-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
GLY A  52
VAL A  57
ALA A  70
LYS A 162
ASN A 165
MET A 167
 ATP  A 403 (-3.4A)
ATP  A 403 ( 3.9A)
ATP  A 403 (-3.9A)
ATP  A 403 (-3.4A)
None
ATP  A 403 ( 4.7A)
ATP  A 403 ( 3.7A)
 0.89A 2fumD-5xvuA:
22.6		 2fumD-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.
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		no annotation 7 LEU A  33
VAL A  41
ALA A  54
MET A  99
LYS A 148
ASN A 151
ASP A 164
 ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 (-3.1A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
 1.03A 2fumD-6ao5A:
10.8		 2fumD-6ao5A:
22.77
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.
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 8 LEU A 366
GLY A 367
GLY A 369
VAL A 374
ALA A 388
MET A 438
ASN A 489
ASP A 502
 EE4  A 701 ( 4.6A)
EE4  A 701 (-3.9A)
EE4  A 701 (-3.4A)
EE4  A 701 (-4.4A)
EE4  A 701 (-3.3A)
EE4  A 701 ( 3.8A)
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.71A 2fumD-6c0tA:
24.2		 2fumD-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.
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 8 LEU A 366
GLY A 367
VAL A 374
ALA A 388
MET A 438
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)
EE4  A 701 ( 3.8A)
None
EE4  A 701 ( 4.9A)
DMS  A 702 ( 3.1A)
 0.73A 2fumD-6c0tA:
24.2		 2fumD-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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 7 LEU A 881
GLY A 882
GLY A 884
VAL A 889
ALA A 906
MET A 956
ASN A1008
 ADP  A1201 ( 4.5A)
ADP  A1201 (-3.5A)
ADP  A1201 (-3.3A)
ADP  A1201 (-4.3A)
ADP  A1201 (-3.4A)
ADP  A1201 (-4.2A)
MG  A1202 ( 2.5A)
 0.77A 2fumD-6c7yA:
24.3		 2fumD-6c7yA:
14.17
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.
6eqi SERINE/THREONINE-PRO
TEIN KINASE PINK1,
PUTATIVE

(Pediculus
humanus) 		no annotation 7 GLY C 168
VAL C 173
ALA C 191
MET C 290
LYS C 336
ASN C 339
ASP C 357
 None
 1.00A 2fumD-6eqiC:
20.3		 2fumD-6eqiC:
22.15
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.
6eqi SERINE/THREONINE-PRO
TEIN KINASE PINK1,
PUTATIVE

(Pediculus
humanus) 		no annotation 7 GLY C 168
VAL C 173
ALA C 191
MET C 290
THR C 296
ASN C 339
ASP C 357
 None
 0.88A 2fumD-6eqiC:
20.3		 2fumD-6eqiC:
22.15