SIMILAR PATTERNS OF AMINO ACIDS FOR 4O0U_A_ADNA501_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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 ALA B1028
LEU B 359
THR B 930
LEU B 934
 None
 0.78A 4o0uA-1ej6B:
undetectable		 4o0uA-1ej6B:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 VAL A 126
ALA A 124
LEU A 536
THR A 529
 None
 0.76A 4o0uA-1h0hA:
undetectable		 4o0uA-1h0hA:
13.82
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.
1nfd H57 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA E 150
LEU E 179
THR E 182
LEU E 181
 None
 0.76A 4o0uA-1nfdE:
undetectable		 4o0uA-1nfdE:
21.21
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 VAL A 219
ALA A 230
LEU A 260
LEU A 340
 PY1  A 700 ( 4.7A)
PY1  A 700 (-3.5A)
PY1  A 700 (-4.2A)
PY1  A 700 (-4.4A)
 0.48A 4o0uA-1py5A:
17.1		 4o0uA-1py5A:
26.09
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 VAL A 172
ALA A 185
LEU A 226
LEU A 301
 ADP  A 810 (-4.1A)
ADP  A 810 (-3.3A)
ADP  A 810 (-4.4A)
ADP  A 810 (-4.7A)
 0.47A 4o0uA-1q8yA:
17.8		 4o0uA-1q8yA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 VAL A  86
ALA A  99
LYS A 101
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 (-4.8A)
 0.55A 4o0uA-1s9iA:
8.8		 4o0uA-1s9iA:
26.67
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 603
ALA A 621
LYS A 623
LEU A 799
 STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-4.4A)
 0.63A 4o0uA-1t46A:
22.5		 4o0uA-1t46A:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  26
ALA A  39
LYS A  41
LEU A 144
 ATP  A 381 (-4.0A)
ATP  A 381 (-3.6A)
ATP  A 381 (-2.9A)
None
 0.78A 4o0uA-1ua2A:
8.0		 4o0uA-1ua2A:
28.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		5 VAL A  81
ALA A  49
LEU A  68
THR A 206
LEU A 120
 None
 1.36A 4o0uA-1uz4A:
undetectable		 4o0uA-1uz4A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ALA A 328
LEU A 372
THR A 341
LEU A 342
 None
 0.74A 4o0uA-1w78A:
undetectable		 4o0uA-1w78A:
20.59
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 VAL A 100
ALA A  24
LEU A  54
THR A  71
LEU A  30
 None
 1.39A 4o0uA-1wkmA:
undetectable		 4o0uA-1wkmA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  23
ALA A  36
LYS A  38
LEU A 137
 HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
HYM  A 400 (-4.5A)
 0.54A 4o0uA-1zltA:
7.3		 4o0uA-1zltA:
29.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ac5 MAP
KINASE-INTERACTING
SERINE/THREONINE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  98
ALA A 111
LEU A 143
LEU A 212
 None
 0.68A 4o0uA-2ac5A:
8.2		 4o0uA-2ac5A:
29.36
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  34
ALA A  47
LEU A  78
THR A 105
LEU A 155
 STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
None
None
STU  A1301 ( 4.8A)
 0.86A 4o0uA-2bujA:
8.7		 4o0uA-2bujA:
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.
2h3k HAPTOGLOBIN-BINDING
SURFACE ANCHORED
PROTEIN

(Staphylococcus
aureus) 		PF05031
(NEAT) 		5 VAL A  27
ALA A  50
LEU A 132
THR A 108
LEU A 111
 None
 1.34A 4o0uA-2h3kA:
2.2		 4o0uA-2h3kA:
20.49
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 VAL A 281
ALA A 293
LYS A 295
LEU A 393
 H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
H8H  A 534 (-4.5A)
 0.60A 4o0uA-2h8hA:
8.2		 4o0uA-2h8hA:
20.19
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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 VAL A 643
ALA A 659
LYS A 661
LEU A 761
 ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
ADP  A 400 (-2.7A)
ADP  A 400 ( 4.7A)
 0.70A 4o0uA-2henA:
8.2		 4o0uA-2henA:
24.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hw6 MAP
KINASE-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  63
ALA A  76
LEU A 108
LEU A 177
 None
 0.49A 4o0uA-2hw6A:
7.1		 4o0uA-2hw6A:
30.75
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.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 256
ALA A 269
LYS A 271
LEU A 370
 GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-4.7A)
 0.63A 4o0uA-2hz0A:
6.5		 4o0uA-2hz0A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jkm FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 VAL A 436
ALA A 452
LYS A 454
LEU A 553
 BII  A1687 ( 4.7A)
BII  A1687 (-3.5A)
BII  A1687 (-2.9A)
BII  A1687 (-4.2A)
 0.63A 4o0uA-2jkmA:
11.2		 4o0uA-2jkmA:
28.24
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.
2lku GRXS14

(Populus
trichocarpa) 		PF00462
(Glutaredoxin) 		4 VAL A  20
ALA A 106
THR A  90
LEU A  99
 None
 0.68A 4o0uA-2lkuA:
undetectable		 4o0uA-2lkuA:
18.79
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.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 596
ALA A 614
LYS A 616
LEU A 785
 None
 0.52A 4o0uA-2ogvA:
16.1		 4o0uA-2ogvA:
25.76
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 VAL A 352
ALA A 367
LYS A 369
LEU A 468
 ANP  A 615 (-4.5A)
ANP  A 615 (-3.3A)
ANP  A 615 (-3.1A)
ANP  A 615 (-4.7A)
 0.55A 4o0uA-2ozoA:
9.7		 4o0uA-2ozoA:
18.77
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.
2psq FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 495
ALA A 515
LYS A 517
LEU A 633
 None
 0.68A 4o0uA-2psqA:
8.0		 4o0uA-2psqA:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 204
ALA A 215
LYS A 217
LEU A 245
LEU A 328
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 ( 4.5A)
ADE  A 488 (-4.4A)
 0.65A 4o0uA-2qluA:
7.3		 4o0uA-2qluA:
25.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 732
ALA A 749
LYS A 751
LEU A 850
 GW7  A   1 ( 4.8A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 (-4.2A)
 0.59A 4o0uA-2r4bA:
7.8		 4o0uA-2r4bA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rt6 PRIMOSOMAL
REPLICATION PROTEIN
N''

(Escherichia
coli) 		PF07445
(PriC) 		4 ALA A  76
LEU A  10
THR A   3
LEU A   6
 None
 0.77A 4o0uA-2rt6A:
undetectable		 4o0uA-2rt6A:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  76
ALA A  92
LYS A  94
LEU A 194
 None
STU  A   1 (-3.3A)
STU  A   1 (-2.8A)
STU  A   1 (-4.6A)
 0.70A 4o0uA-2z7rA:
23.8		 4o0uA-2z7rA:
30.75
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 ALA A 415
LEU A 425
THR A 430
LEU A 427
 None
 0.78A 4o0uA-3b2dA:
undetectable		 4o0uA-3b2dA:
18.35
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.
3b2t FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 495
ALA A 515
LYS A 517
LEU A 633
 M33  A1996 ( 4.7A)
M33  A1996 (-3.3A)
M33  A1996 ( 4.5A)
M33  A1996 (-4.5A)
 0.54A 4o0uA-3b2tA:
19.6		 4o0uA-3b2tA:
26.36
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.
3bjl LOC - LAMBDA 1 TYPE
LIGHT-CHAIN DIMER

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL A 159
ALA A 154
LEU A 136
THR A 185
LEU A 184
 None
 1.45A 4o0uA-3bjlA:
undetectable		 4o0uA-3bjlA:
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.
3dak SERINE/THREONINE-PRO
TEIN KINASE OSR1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  31
ALA A  44
LYS A  46
LEU A 153
 ANP  A   1 (-4.5A)
ANP  A   1 ( 3.9A)
ANP  A   1 (-2.8A)
None
 0.70A 4o0uA-3dakA:
6.9		 4o0uA-3dakA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 VAL A  23
ALA A  36
THR A 123
LEU A 173
 None
DRK  A 384 (-3.5A)
DRK  A 384 ( 4.5A)
DRK  A 384 (-4.4A)
 0.64A 4o0uA-3eb0A:
19.4		 4o0uA-3eb0A:
26.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe3 MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 3

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		4 VAL A  70
ALA A  83
LYS A  85
LEU A 185
 None
 0.79A 4o0uA-3fe3A:
24.1		 4o0uA-3fe3A:
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.
3fzp PROTEIN TYROSINE
KINASE 2 BETA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 439
ALA A 455
LYS A 457
LEU A 556
 AGS  A 999 (-4.6A)
AGS  A 999 (-3.6A)
AGS  A 999 (-2.5A)
AGS  A 999 (-4.5A)
 0.66A 4o0uA-3fzpA:
8.7		 4o0uA-3fzpA:
27.91
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 VAL A 429
ALA A  59
LEU A 397
THR A 382
LEU A 385
 None
 1.25A 4o0uA-3gipA:
undetectable		 4o0uA-3gipA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 841
ALA A 859
LYS A 861
LEU A1029
 8ST  A2001 ( 4.6A)
8ST  A2001 ( 3.8A)
8ST  A2001 (-4.0A)
None
 0.65A 4o0uA-3hngA:
8.7		 4o0uA-3hngA:
24.46
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  90
ALA A 103
LYS A 105
LEU A 205
 ANP  A 610 (-3.9A)
ANP  A 610 ( 3.7A)
ANP  A 610 (-2.8A)
None
 0.56A 4o0uA-3igoA:
12.6		 4o0uA-3igoA:
24.77
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 VAL A 458
ALA A 446
LEU A  65
THR A 482
LEU A 470
 None
 1.14A 4o0uA-3kehA:
undetectable		 4o0uA-3kehA:
22.61
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  76
ALA A  89
LYS A  91
LEU A 191
 ANP  A 522 (-4.1A)
ANP  A 522 (-3.6A)
ANP  A 522 (-3.5A)
ANP  A 522 (-4.7A)
 0.55A 4o0uA-3lijA:
10.5		 4o0uA-3lijA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lwb D-ALANINE--D-ALANINE
LIGASE

(Mycobacterium
tuberculosis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 VAL A 317
ALA A 302
LEU A 164
THR A 155
LEU A 159
 None
 1.31A 4o0uA-3lwbA:
undetectable		 4o0uA-3lwbA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		5 VAL A 110
ALA A 114
LEU A 126
THR A  94
LEU A  93
 None
 1.24A 4o0uA-3mcuA:
undetectable		 4o0uA-3mcuA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS) 		4 VAL A 218
ALA A 229
LEU A 259
LEU A 339
 LDN  A   1 ( 4.8A)
LDN  A   1 (-3.6A)
None
LDN  A   1 (-4.5A)
 0.51A 4o0uA-3mdyA:
7.8		 4o0uA-3mdyA:
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		4 VAL A  34
ALA A  32
LEU A  55
LEU A  78
 None
 0.77A 4o0uA-3mweA:
undetectable		 4o0uA-3mweA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 216
ALA A 227
LEU A 257
LEU A 337
 LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
None
LDN  A 600 (-4.6A)
 0.49A 4o0uA-3my0A:
8.8		 4o0uA-3my0A:
28.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  96
ALA A 109
LYS A 111
LEU A 212
 JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-2.8A)
None
 0.59A 4o0uA-3nuuA:
25.2		 4o0uA-3nuuA:
34.72
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.
3pls MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A1096
ALA A1112
LYS A1114
LEU A1144
 ANP  A1358 (-4.4A)
ANP  A1358 ( 3.8A)
ANP  A1358 (-3.2A)
None
 0.60A 4o0uA-3plsA:
7.8		 4o0uA-3plsA:
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 206
ALA A 217
LYS A 219
LEU A 247
LEU A 329
 TAK  A   2 ( 4.9A)
TAK  A   2 (-3.5A)
TAK  A   2 (-2.9A)
None
TAK  A   2 (-4.6A)
 0.71A 4o0uA-3q4tA:
7.2		 4o0uA-3q4tA:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  90
ALA A 103
LYS A 105
LEU A 207
 NM7  A 416 (-3.7A)
NM7  A 416 ( 3.7A)
EDO  A 417 (-3.5A)
NM7  A 416 ( 4.2A)
 0.70A 4o0uA-3qfvA:
9.5		 4o0uA-3qfvA:
28.43
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 VAL A  41
ALA A  39
LEU A   9
THR A 233
LEU A 234
 None
 1.43A 4o0uA-3rd5A:
undetectable		 4o0uA-3rd5A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  65
ALA A  78
LYS A  80
LEU A 181
 BK5  A 701 (-4.2A)
BK5  A 701 (-3.4A)
BK5  A 701 (-3.5A)
None
 0.42A 4o0uA-3sxfA:
9.2		 4o0uA-3sxfA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 431
ALA A 443
LYS A 445
LEU A 543
 PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 (-4.5A)
PP2  A   1 (-4.6A)
 0.51A 4o0uA-3sxsA:
8.8		 4o0uA-3sxsA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td7 FAD-LINKED
SULFHYDRYL OXIDASE
R596

(Acanthamoeba
polyphaga
mimivirus) 		PF04777
(Evr1_Alr) 		4 VAL A 281
ALA A 277
LEU A 262
LEU A 259
 None
 0.72A 4o0uA-3td7A:
undetectable		 4o0uA-3td7A:
21.30
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.
3uar GLUTATHIONE
S-TRANSFERASE

(Methylococcus
capsulatus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A  17
ALA A  74
LEU A  94
LEU A  98
 None
 0.76A 4o0uA-3uarA:
undetectable		 4o0uA-3uarA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 VAL A 303
ALA A 315
LYS A 317
LEU A 347
LEU A 423
 None
 0.84A 4o0uA-3ulzA:
19.3		 4o0uA-3ulzA:
27.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w18 AURORA KINASE A

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A 147
ALA A 160
LYS A 162
LEU A 194
THR A 217
LEU A 263
 N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.9A)
None
N13  A 501 (-4.5A)
 0.63A 4o0uA-3w18A:
17.0		 4o0uA-3w18A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  83
ALA A  96
LYS A  98
LEU A 198
 ANP  A 401 ( 4.3A)
ANP  A 401 (-3.2A)
ANP  A 401 (-2.7A)
ANP  A 401 (-4.8A)
 0.49A 4o0uA-3wigA:
19.8		 4o0uA-3wigA:
28.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A1959
ALA A1978
LEU A2010
LEU A2086
 None
VGH  A3000 (-3.4A)
VGH  A3000 (-4.8A)
VGH  A3000 (-4.3A)
 0.43A 4o0uA-3zbfA:
18.9		 4o0uA-3zbfA:
27.38
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  18
ALA A  31
THR A  85
LEU A 132
 38R  A 350 ( 4.8A)
38R  A 350 (-3.4A)
38R  A 350 (-4.2A)
38R  A 350 (-4.3A)
 0.66A 4o0uA-3zduA:
8.5		 4o0uA-3zduA:
26.04
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 VAL A 401
ALA A 142
LEU A 372
THR A 362
LEU A 366
 None
 1.31A 4o0uA-4aecA:
undetectable		 4o0uA-4aecA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4af3 AURORA KINASE B

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  91
ALA A 104
LYS A 106
LEU A 138
LEU A 207
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
 0.61A 4o0uA-4af3A:
9.5		 4o0uA-4af3A:
66.44
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.
4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 848
ALA A 866
LYS A 868
LEU A1035
 None
B49  A2000 (-3.5A)
B49  A2000 (-3.0A)
B49  A2000 (-4.5A)
 0.34A 4o0uA-4agdA:
16.1		 4o0uA-4agdA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  18
ALA A  31
LYS A  33
LEU A 133
 D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.1A)
D15  A 500 (-4.5A)
 0.63A 4o0uA-4aguA:
20.3		 4o0uA-4aguA:
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.
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  18
ALA A  31
THR A  86
LEU A 133
 D15  A 500 (-4.6A)
D15  A 500 (-3.4A)
D15  A 500 ( 4.5A)
D15  A 500 (-4.5A)
 0.61A 4o0uA-4aguA:
20.3		 4o0uA-4aguA:
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.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 105
ALA A 121
LYS A 123
LEU A 223
 30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
30K  A1365 (-4.5A)
 0.61A 4o0uA-4aw5A:
18.7		 4o0uA-4aw5A:
26.81
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 ALA A 233
LYS A 235
LEU A 263
LEU A 343
 TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
FLC  A1503 ( 4.5A)
TAK  A1507 (-4.7A)
 0.79A 4o0uA-4c02A:
8.0		 4o0uA-4c02A:
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.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 VAL A 222
ALA A 233
LEU A 263
LEU A 343
 TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
FLC  A1503 ( 4.5A)
TAK  A1507 (-4.7A)
 0.42A 4o0uA-4c02A:
8.0		 4o0uA-4c02A:
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		4 VAL A 288
ALA A 151
THR A  84
LEU A  60
 None
 0.79A 4o0uA-4ccwA:
undetectable		 4o0uA-4ccwA:
21.98
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) 		5 VAL A  24
ALA A  37
LYS A  39
THR A  94
LEU A 140
 ANP  A 300 ( 4.7A)
ANP  A 300 ( 3.8A)
ANP  A 300 (-3.1A)
None
ANP  A 300 (-4.7A)
 0.75A 4o0uA-4eqmA:
12.5		 4o0uA-4eqmA:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  34
ALA A  47
LYS A  49
LEU A 148
 ATP  A 401 (-4.1A)
ATP  A 401 (-3.6A)
ATP  A 401 (-3.0A)
ATP  A 401 (-4.6A)
 0.66A 4o0uA-4fg8A:
10.7		 4o0uA-4fg8A:
32.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		4 VAL A 335
ALA A 348
LYS A 350
LEU A 447
 ANP  A1001 (-4.7A)
ANP  A1001 (-3.6A)
ANP  A1001 (-3.0A)
ANP  A1001 (-4.7A)
 0.54A 4o0uA-4fieA:
8.2		 4o0uA-4fieA:
24.12
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 VAL A 385
ALA A 400
LYS A 402
LEU A 501
 ANP  A 701 (-4.1A)
ANP  A 701 (-3.3A)
ANP  A 701 (-2.7A)
ANP  A 701 (-4.5A)
 0.60A 4o0uA-4fl3A:
8.9		 4o0uA-4fl3A:
17.15
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 VAL A 317
LEU A 266
THR A 244
LEU A 298
 None
 0.66A 4o0uA-4hl6A:
undetectable		 4o0uA-4hl6A:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		4 VAL A 140
ALA A 156
LYS A 158
LEU A 259
 None
 0.60A 4o0uA-4hzsA:
11.7		 4o0uA-4hzsA:
26.44
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 VAL A  73
ALA A  85
THR A 139
LEU A 188
 None
 0.46A 4o0uA-4i93A:
9.0		 4o0uA-4i93A:
29.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  26
ALA A  39
LEU A  73
LEU A 143
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 (-4.0A)
 0.41A 4o0uA-4jxfA:
10.8		 4o0uA-4jxfA:
34.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  26
ALA A  39
LYS A  41
LEU A  73
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
 0.69A 4o0uA-4jxfA:
10.8		 4o0uA-4jxfA:
34.39
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.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  41
ALA A  54
LYS A  56
LEU A 153
 GOL  A 404 (-4.5A)
GOL  A 404 ( 3.1A)
GOL  A 403 ( 4.6A)
GOL  A 403 ( 4.4A)
 0.73A 4o0uA-4lg4A:
22.4		 4o0uA-4lg4A:
28.25
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.
4lld IG LAMBDA-2 CHAIN C
REGION

(Homo sapiens) 		PF07654
(C1-set) 		5 VAL B 159
ALA B 154
LEU B 136
THR B 185
LEU B 184
 None
 1.49A 4o0uA-4lldB:
undetectable		 4o0uA-4lldB:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llu LIGHT CHAIN CLAMBDA

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 156
ALA B 151
LEU B 133
THR B 182
LEU B 181
 None
 1.49A 4o0uA-4lluB:
undetectable		 4o0uA-4lluB:
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 VAL A  36
ALA A  49
LYS A  51
LEU A  74
LEU A 150
 ANP  A 401 (-4.5A)
ANP  A 401 (-3.1A)
ANP  A 401 (-2.9A)
None
ANP  A 401 (-4.8A)
 0.61A 4o0uA-4m69A:
7.1		 4o0uA-4m69A:
27.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  54
ALA A  67
LYS A  69
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.5A)
 0.66A 4o0uA-4o38A:
21.6		 4o0uA-4o38A:
28.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oav PROTEIN (RNASE L)

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ALA B 390
LYS B 392
THR B 440
LEU B 492
 ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
ACP  B 801 (-4.1A)
ACP  B 801 (-4.5A)
 0.78A 4o0uA-4oavB:
17.2		 4o0uA-4oavB:
18.68
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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 VAL A  27
ALA A  40
LYS A  42
LEU A 148
 None
 0.67A 4o0uA-4ow8A:
9.7		 4o0uA-4ow8A:
28.18
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 VAL A 474
ALA A 356
LEU A 453
LEU A 490
 None
 0.79A 4o0uA-4q2cA:
undetectable		 4o0uA-4q2cA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgj CALCIUM-DEPENDENT
PROTEIN KINASE 4

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 VAL A  84
ALA A  97
LYS A  99
LEU A 200
 None
 0.71A 4o0uA-4rgjA:
10.7		 4o0uA-4rgjA:
23.30
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		4 VAL A  89
ALA A 330
LEU A 117
LEU A 110
 None
 0.75A 4o0uA-4ry1A:
undetectable		 4o0uA-4ry1A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 VAL A 208
ALA A 201
LEU A 242
THR A 234
LEU A 238
 None
 1.37A 4o0uA-4u02A:
undetectable		 4o0uA-4u02A:
25.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  48
ALA A  61
LYS A  63
LEU A 162
 None
6UI  A 700 (-3.3A)
6UI  A 700 (-4.5A)
6UI  A 700 (-4.2A)
 0.76A 4o0uA-4usfA:
19.6		 4o0uA-4usfA:
30.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 158
ALA A 169
LYS A 171
LEU A 275
 None
 0.77A 4o0uA-4uy9A:
7.8		 4o0uA-4uy9A:
27.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 VAL A 201
ALA A 214
LYS A 216
LEU A 321
 None
ANW  A 601 (-3.4A)
None
ANW  A 601 (-4.9A)
 0.70A 4o0uA-4wboA:
9.5		 4o0uA-4wboA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 4 VAL B 275
ALA B 288
LYS B 290
LEU B 389
 1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-4.3A)
 0.52A 4o0uA-4xeyB:
8.2		 4o0uA-4xeyB:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  18
ALA A  31
LYS A  33
LEU A 135
 None
 0.75A 4o0uA-4yc6A:
8.2		 4o0uA-4yc6A:
29.02
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.
4ynz SERINE/THREONINE-PRO
TEIN KINASE BRSK2

(Mus musculus) 		PF00069
(Pkinase) 		5 VAL A  34
ALA A  47
LYS A  49
LEU A  80
LEU A 149
 None
 0.66A 4o0uA-4ynzA:
16.1		 4o0uA-4ynzA:
28.65
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 ALA A 597
LYS A 599
THR A 648
LEU A 695
 None
 0.76A 4o0uA-4z7gA:
5.6		 4o0uA-4z7gA:
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 VAL A 586
ALA A 597
THR A 648
LEU A 695
 None
 0.38A 4o0uA-4z7gA:
5.6		 4o0uA-4z7gA:
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.
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 492
ALA A 512
LYS A 514
LEU A 630
 38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.1A)
38O  A1769 (-4.6A)
 0.55A 4o0uA-5a46A:
8.0		 4o0uA-5a46A:
25.58
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.
5awn LIGHT CHAIN OF
3BC176 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L 155
ALA L 150
LEU L 132
THR L 181
LEU L 180
 None
 1.39A 4o0uA-5awnL:
undetectable		 4o0uA-5awnL:
21.75
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.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		4 VAL A 146
ALA A 142
LEU A 158
LEU A  14
 None
 0.77A 4o0uA-5aynA:
undetectable		 4o0uA-5aynA:
22.27
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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		4 ALA A 344
LEU A  28
THR A  19
LEU A  23
 None
 0.79A 4o0uA-5bukA:
undetectable		 4o0uA-5bukA:
21.24