SIMILAR PATTERNS OF AMINO ACIDS FOR 3TI1_A_B49A299_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		8 ILE A  10
ALA A  31
VAL A  64
PHE A  80
PHE A  82
ASP A  86
LYS A  88
LEU A 133
 None
 0.87A 3ti1A-1h4lA:
31.6		 3ti1A-1h4lA:
60.54
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 ILE A 131
ALA A  29
VAL A  55
ASP A  39
LEU A  51
 None
 1.16A 3ti1A-1l3iA:
undetectable		 3ti1A-1l3iA:
19.87
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.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		6 ILE A 580
ALA A 606
VAL A 638
PHE A 654
ASP A 661
LEU A 731
 None
 0.66A 3ti1A-1lufA:
22.9		 3ti1A-1lufA:
24.59
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.
1m6e S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE

(Clarkia breweri) 		PF03492
(Methyltransf_7) 		5 ILE X 143
ALA X  56
VAL X 126
PHE X  95
LEU X 134
 None
 1.27A 3ti1A-1m6eX:
undetectable		 3ti1A-1m6eX:
20.22
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.
1p1d GLUTAMATE RECEPTOR
INTERACTING PROTEIN

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ILE A 159
ALA A 165
VAL A 204
LYS A 176
LEU A 206
 None
 1.14A 3ti1A-1p1dA:
undetectable		 3ti1A-1p1dA:
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.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 642
VAL A 675
PHE A 691
ASP A 698
LEU A 818
 None
 0.71A 3ti1A-1rjbA:
21.3		 3ti1A-1rjbA:
26.32
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.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ILE A 369
ALA A 389
VAL A 419
PHE A 435
PHE A 437
ASP A 500
 None
 0.94A 3ti1A-1snxA:
23.7		 3ti1A-1snxA:
27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ILE A 369
ALA A 389
VAL A 419
PHE A 435
PHE A 437
LEU A 489
 None
 0.63A 3ti1A-1snxA:
23.7		 3ti1A-1snxA:
27.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  39
PHE A  91
PHE A  93
ASP A  97
LEU A 144
 ATP  A 381 (-3.6A)
None
ATP  A 381 (-4.1A)
ATP  A 381 ( 4.9A)
None
 0.70A 3ti1A-1ua2A:
34.2		 3ti1A-1ua2A:
40.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		7 ILE A  10
ALA A  30
VAL A  63
PHE A  79
ASP A  85
LYS A  87
LEU A 132
 None
 0.75A 3ti1A-1v0bA:
37.6		 3ti1A-1v0bA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		6 VAL A  63
PHE A  79
ASP A  85
LYS A  87
LEU A 132
ASP A 143
 None
 1.08A 3ti1A-1v0bA:
37.6		 3ti1A-1v0bA:
62.24
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.
2bbh DIVALENT CATION
TRANSPORT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01544
(CorA) 		5 ILE A 225
VAL A 146
PHE A 113
LEU A 177
ASP A 179
 None
None
DMU  A 402 (-4.3A)
DMU  A 402 ( 4.7A)
DMU  A 404 (-4.6A)
 1.26A 3ti1A-2bbhA:
undetectable		 3ti1A-2bbhA:
23.27
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.
2daf FLJ35834 PROTEIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ALA A  16
VAL A  77
LYS A  40
LEU A  72
ASP A  36
 None
 1.20A 3ti1A-2dafA:
undetectable		 3ti1A-2dafA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2go4 UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Aquifex
aeolicus) 		PF03331
(LpxC) 		5 ILE A 145
ALA A 147
VAL A 254
ASP A 246
LEU A 247
 None
 1.31A 3ti1A-2go4A:
undetectable		 3ti1A-2go4A:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 ILE A 385
ALA A 497
VAL A 548
PHE A 498
PHE A 500
 None
 1.15A 3ti1A-2h1nA:
undetectable		 3ti1A-2h1nA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  31
VAL A  64
PHE A  80
PHE A  82
ASP A  86
LEU A 134
 None
 0.69A 3ti1A-2jgzA:
33.9		 3ti1A-2jgzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  31
VAL A  64
PHE A  82
ASP A  86
LYS A  88
LEU A 134
 None
 1.12A 3ti1A-2jgzA:
33.9		 3ti1A-2jgzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  10
ALA A  31
VAL A  64
PHE A  80
PHE A  82
LEU A 134
 None
 0.75A 3ti1A-2jgzA:
33.9		 3ti1A-2jgzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  10
VAL A  64
PHE A  80
PHE A  82
LEU A 134
ASP A 145
 None
 1.09A 3ti1A-2jgzA:
33.9		 3ti1A-2jgzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  64
PHE A  80
PHE A  82
ASP A  86
LEU A 134
ASP A 145
 None
 0.89A 3ti1A-2jgzA:
33.9		 3ti1A-2jgzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 ALA A  34
VAL A  66
PHE A  82
PHE A  84
ASP A  88
LEU A 140
 AGS  A3001 (-3.5A)
None
None
AGS  A3001 ( 4.5A)
None
None
 0.70A 3ti1A-2pmiA:
29.9		 3ti1A-2pmiA:
53.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 VAL A  66
PHE A  82
ASP A  88
LEU A 140
ASP A 151
 None
None
None
None
AGS  A3001 (-2.8A)
 0.82A 3ti1A-2pmiA:
29.9		 3ti1A-2pmiA:
53.14
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.
2qkw PROTEIN KINASE

(Solanum
pimpinellifolium) 		PF07714
(Pkinase_Tyr) 		5 ILE B  47
ALA B  67
VAL B  98
LYS B 123
LEU B 171
 None
 0.98A 3ti1A-2qkwB:
20.3		 3ti1A-2qkwB:
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 ILE A  98
VAL A  46
PHE A 133
LYS A 105
LEU A 108
 None
 1.33A 3ti1A-2rmpA:
undetectable		 3ti1A-2rmpA:
20.98
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.
2v55 RHO-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  82
ALA A 103
VAL A 137
ASP A 160
LEU A 205
 None
ANP  A1480 ( 3.9A)
ANP  A1480 (-4.7A)
ANP  A1480 (-4.0A)
ANP  A1480 ( 4.7A)
 0.85A 3ti1A-2v55A:
21.2		 3ti1A-2v55A:
23.43
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		6 ILE A 490
ALA A 509
PHE A 605
PHE A 607
ASP A 611
LEU A 656
 None
5ID  A1800 (-3.4A)
5ID  A1800 (-4.1A)
5ID  A1800 (-4.3A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
 0.52A 3ti1A-2vuwA:
16.0		 3ti1A-2vuwA:
25.82
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		5 PHE A 605
PHE A 607
ASP A 611
LEU A 656
ASP A 687
 5ID  A1800 (-4.1A)
5ID  A1800 (-4.3A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
 0.94A 3ti1A-2vuwA:
16.0		 3ti1A-2vuwA:
25.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9f CELL DIVISION
PROTEIN KINASE 4

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA B  33
VAL B  72
PHE B  93
ASP B  99
LEU B 147
 None
 0.52A 3ti1A-2w9fB:
28.5		 3ti1A-2w9fB:
44.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjp PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 ILE A 251
ALA A 131
PHE A 130
LYS A  79
LEU A 113
 None
 1.30A 3ti1A-2yjpA:
undetectable		 3ti1A-2yjpA:
20.57
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ILE A 228
ALA A 224
VAL A 157
PHE A 194
LEU A 210
 None
 1.32A 3ti1A-2yv2A:
undetectable		 3ti1A-2yv2A:
20.25
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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  92
VAL A 125
PHE A 143
ASP A 148
LEU A 194
 STU  A   1 (-3.3A)
None
STU  A   1 (-4.6A)
STU  A   1 (-3.8A)
STU  A   1 (-4.6A)
 0.86A 3ti1A-2z7rA:
25.6		 3ti1A-2z7rA:
29.29
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ILE A 385
ALA A 497
VAL A 548
PHE A 498
PHE A 500
 None
 1.22A 3ti1A-3ahmA:
undetectable		 3ti1A-3ahmA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bhh CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II BETA
CHAIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  41
VAL A  74
PHE A  90
LEU A 143
ASP A 157
 5CP  A 600 (-3.6A)
5CP  A 600 ( 4.7A)
5CP  A 600 ( 4.3A)
5CP  A 600 (-4.4A)
5CP  A 600 (-3.5A)
 0.77A 3ti1A-3bhhA:
23.7		 3ti1A-3bhhA:
31.45
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.
3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  18
ALA A  39
VAL A  75
PHE A  91
PHE A  93
LEU A 148
 3AM  A 338 (-4.5A)
3AM  A 338 (-3.3A)
None
3AM  A 338 (-3.6A)
3AM  A 338 ( 4.6A)
3AM  A 338 (-4.7A)
 0.60A 3ti1A-3c0iA:
23.9		 3ti1A-3c0iA:
28.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 ILE A 639
ALA A 663
VAL A 695
PHE A 713
LEU A 765
 IHZ  A1001 ( 4.8A)
IHZ  A1001 (-3.3A)
IHZ  A1001 ( 4.9A)
None
IHZ  A1001 (-4.6A)
 0.68A 3ti1A-3dkoA:
21.6		 3ti1A-3dkoA:
25.21
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.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		5 ALA A 127
PHE A 128
PHE A 121
ASP A  42
ASP A  88
 None
None
None
CA  A 192 (-3.2A)
CA  A 193 (-2.3A)
 1.34A 3ti1A-3ibzA:
undetectable		 3ti1A-3ibzA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		5 ILE A 429
VAL A 415
PHE A 407
LEU A 421
ASP A 478
 None
 1.28A 3ti1A-3l6gA:
undetectable		 3ti1A-3l6gA:
20.26
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.
3mae 2-OXOISOVALERATE
DEHYDROGENASE E2
COMPONENT,
DIHYDROLIPOAMIDE
ACETYLTRANSFERASE

(Listeria
monocytogenes) 		PF00198
(2-oxoacid_dh) 		5 ILE A 302
ALA A 246
PHE A 245
LYS A 407
LEU A 223
 None
None
PO4  A  11 ( 4.9A)
None
None
 1.25A 3ti1A-3maeA:
undetectable		 3ti1A-3maeA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  25
ALA A  46
PHE A 103
PHE A 105
ASP A 109
LEU A 156
 None
 0.57A 3ti1A-3mi9A:
30.0		 3ti1A-3mi9A:
39.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  25
ALA A  46
VAL A  79
PHE A 105
ASP A 109
LEU A 156
 None
 0.75A 3ti1A-3mi9A:
30.0		 3ti1A-3mi9A:
39.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  25
PHE A 103
PHE A 105
ASP A 109
LEU A 156
ASP A 167
 None
 0.77A 3ti1A-3mi9A:
30.0		 3ti1A-3mi9A:
39.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  25
VAL A  79
PHE A 105
ASP A 109
LEU A 156
ASP A 167
 None
 0.80A 3ti1A-3mi9A:
30.0		 3ti1A-3mi9A:
39.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mtl CELL DIVISION
PROTEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 192
VAL A 224
PHE A 240
ASP A 246
LEU A 293
 FEF  A 668 (-3.3A)
FEF  A 668 (-4.7A)
FEF  A 668 ( 4.3A)
FEF  A 668 ( 4.3A)
FEF  A 668 (-4.2A)
 0.69A 3ti1A-3mtlA:
31.2		 3ti1A-3mtlA:
51.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ALA A  49
PHE A  98
PHE A 100
ASP A 104
LEU A 151
 ADP  A 314 (-3.5A)
None
ADP  A 314 ( 4.3A)
ADP  A 314 (-4.1A)
ADP  A 314 (-4.6A)
 0.69A 3ti1A-3nizA:
32.7		 3ti1A-3nizA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 ALA A  49
VAL A  82
PHE A 100
ASP A 104
LYS A 106
LEU A 151
 ADP  A 314 (-3.5A)
None
ADP  A 314 ( 4.3A)
ADP  A 314 (-4.1A)
None
ADP  A 314 (-4.6A)
 1.04A 3ti1A-3nizA:
32.7		 3ti1A-3nizA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ALA A  38
VAL A  72
PHE A  90
ASP A  96
LEU A 141
 None
 0.76A 3ti1A-3oz6A:
25.9		 3ti1A-3oz6A:
35.34
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 237
ALA A 189
PHE A 185
LEU A 332
ASP A 194
 None
 1.27A 3ti1A-3q2kA:
undetectable		 3ti1A-3q2kA:
21.79
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		5 ILE A  24
ALA A  22
PHE A  21
PHE A  40
LYS A  34
 None
 1.25A 3ti1A-3r75A:
undetectable		 3ti1A-3r75A:
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.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ILE A 510
ALA A 438
PHE A 446
ASP A 442
ASP A 547
 None
 1.27A 3ti1A-3shwA:
undetectable		 3ti1A-3shwA:
20.93
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.
3tek THERMODBP-SINGLE
STRANDED DNA BINDING
PROTEIN

(Thermoproteus
tenax) 		no annotation 5 VAL A  60
PHE A  76
PHE A  68
ASP A 125
LEU A 124
 None
 1.06A 3ti1A-3tekA:
undetectable		 3ti1A-3tekA:
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 570
VAL A 601
PHE A 617
ASP A 624
LEU A 686
 0F4  A 902 (-3.2A)
None
0F4  A 902 (-3.4A)
None
0F4  A 902 (-4.5A)
 0.62A 3ti1A-3v5qA:
22.0		 3ti1A-3v5qA:
27.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  31
VAL A  63
PHE A  79
PHE A  81
LEU A 132
 38R  A 350 (-3.4A)
38R  A 350 ( 4.9A)
38R  A 350 (-4.1A)
38R  A 350 (-4.2A)
38R  A 350 (-4.3A)
 0.55A 3ti1A-3zduA:
28.8		 3ti1A-3zduA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  63
PHE A  79
PHE A  81
LEU A 132
ASP A 143
 38R  A 350 ( 4.9A)
38R  A 350 (-4.1A)
38R  A 350 (-4.2A)
38R  A 350 (-4.3A)
NA  A 353 ( 2.5A)
 0.96A 3ti1A-3zduA:
28.8		 3ti1A-3zduA:
34.50
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A  90
ALA A  81
VAL A 529
PHE A 130
LEU A 136
 None
 1.31A 3ti1A-3zz1A:
undetectable		 3ti1A-3zz1A:
17.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4agu CYCLIN-DEPENDENT
KINASE-LIKE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  10
ALA A  31
VAL A  64
PHE A  80
LEU A 133
 D15  A 500 (-4.2A)
D15  A 500 (-3.4A)
None
D15  A 500 ( 4.3A)
D15  A 500 (-4.5A)
 0.74A 3ti1A-4aguA:
30.5		 3ti1A-4aguA:
40.12
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 586
VAL A 617
PHE A 633
ASP A 640
LEU A 699
 LTI  A1839 (-3.3A)
None
LTI  A1839 (-3.5A)
None
LTI  A1839 (-4.2A)
 0.58A 3ti1A-4at3A:
23.3		 3ti1A-4at3A:
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 617
PHE A 633
ASP A 640
LEU A 699
ASP A 710
 None
LTI  A1839 (-3.5A)
None
LTI  A1839 (-4.2A)
None
 0.86A 3ti1A-4at3A:
23.3		 3ti1A-4at3A:
27.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  31
VAL A  64
PHE A  80
PHE A  82
LEU A 133
 TC0  A 500 (-3.5A)
TC0  A 500 (-4.7A)
TC0  A 500 (-3.4A)
TC0  A 500 (-4.2A)
TC0  A 500 (-4.3A)
 0.61A 3ti1A-4bbmA:
29.3		 3ti1A-4bbmA:
40.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  31
VAL A  64
PHE A  82
LEU A 133
ASP A 144
 TC0  A 500 (-3.5A)
TC0  A 500 (-4.7A)
TC0  A 500 (-4.2A)
TC0  A 500 (-4.3A)
TC0  A 500 (-4.8A)
 0.77A 3ti1A-4bbmA:
29.3		 3ti1A-4bbmA:
40.48
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.
4e93 TYROSINE-PROTEIN
KINASE FES/FPS

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 ILE A 567
ALA A 588
VAL A 620
ASP A 643
LEU A 690
 GUI  A 901 (-4.0A)
GUI  A 901 (-3.4A)
None
GUI  A 901 ( 4.8A)
GUI  A 901 (-4.3A)
 0.41A 3ti1A-4e93A:
23.9		 3ti1A-4e93A:
22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ez5 CYCLIN-DEPENDENT
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  19
ALA A  41
VAL A  77
ASP A 104
LEU A 152
ASP A 163
 0RS  A 900 (-4.1A)
0RS  A 900 ( 3.7A)
0RS  A 900 (-4.4A)
0RS  A 900 (-4.2A)
0RS  A 900 (-4.3A)
0RS  A 900 (-3.6A)
 0.85A 3ti1A-4ez5A:
31.7		 3ti1A-4ez5A:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ez5 CYCLIN-DEPENDENT
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A  19
ALA A  41
VAL A  77
PHE A  98
ASP A 104
LEU A 152
 0RS  A 900 (-4.1A)
0RS  A 900 ( 3.7A)
0RS  A 900 (-4.4A)
0RS  A 900 (-4.5A)
0RS  A 900 (-4.2A)
0RS  A 900 (-4.3A)
 0.80A 3ti1A-4ez5A:
31.7		 3ti1A-4ez5A:
47.47
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.
4f0i HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 541
VAL A 572
PHE A 588
ASP A 595
LEU A 656
 None
 0.52A 3ti1A-4f0iA:
21.8		 3ti1A-4f0iA:
27.49
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		5 ILE A 327
ALA A 348
VAL A 379
PHE A 397
LEU A 447
 None
ANP  A1001 (-3.6A)
None
ANP  A1001 ( 4.6A)
ANP  A1001 (-4.7A)
 0.69A 3ti1A-4fieA:
24.2		 3ti1A-4fieA:
23.06
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A1148
VAL A1180
ASP A1203
LYS A1205
LEU A1256
 0UV  A1501 (-3.4A)
0UV  A1501 ( 4.9A)
0UV  A1501 ( 4.6A)
None
0UV  A1501 (-4.6A)
 0.83A 3ti1A-4fodA:
22.0		 3ti1A-4fodA:
22.82
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A1180
ASP A1203
LYS A1205
LEU A1256
ASP A1270
 0UV  A1501 ( 4.9A)
0UV  A1501 ( 4.6A)
None
0UV  A1501 (-4.6A)
0UV  A1501 ( 4.2A)
 0.46A 3ti1A-4fodA:
22.0		 3ti1A-4fodA:
22.82
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.
4fr4 SERINE/THREONINE-PRO
TEIN KINASE 32A

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  29
ALA A  50
VAL A  84
ASP A 107
LEU A 153
 STU  A 401 (-4.1A)
STU  A 401 (-3.2A)
None
STU  A 401 (-3.3A)
STU  A 401 (-4.7A)
 0.56A 3ti1A-4fr4A:
23.6		 3ti1A-4fr4A:
25.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 413
ALA A 434
VAL A 465
PHE A 483
LEU A 533
 B49  A 701 (-4.2A)
B49  A 701 (-3.2A)
None
B49  A 701 (-4.3A)
B49  A 701 (-4.5A)
 0.61A 3ti1A-4ks8A:
25.5		 3ti1A-4ks8A:
31.63
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.
4oq1 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ILE A 114
VAL A 100
PHE A  93
LYS A 142
LEU A  32
 None
 1.30A 3ti1A-4oq1A:
undetectable		 3ti1A-4oq1A:
22.72
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ALA A 648
VAL A 685
ASP A 708
LEU A 753
ASP A 764
 None
 0.80A 3ti1A-4otdA:
23.4		 3ti1A-4otdA:
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 ILE A1589
VAL A1552
PHE A1602
PHE A1585
LEU A1555
 None
 1.34A 3ti1A-4r04A:
undetectable		 3ti1A-4r04A:
9.62
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.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 642
VAL A 675
PHE A 691
ASP A 698
LEU A 818
 P30  A1001 (-3.4A)
None
P30  A1001 (-3.7A)
None
P30  A1001 (-4.6A)
 0.65A 3ti1A-4rt7A:
21.8		 3ti1A-4rt7A:
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.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 150
ALA A 169
PHE A 222
LEU A 275
ASP A 294
 None
 0.65A 3ti1A-4uy9A:
22.9		 3ti1A-4uy9A:
27.89
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.
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 642
VAL A 675
PHE A 691
ASP A 698
LEU A 818
 P30  A1001 (-3.5A)
None
P30  A1001 ( 4.3A)
None
P30  A1001 (-4.3A)
 0.87A 3ti1A-4xufA:
21.1		 3ti1A-4xufA:
26.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  31
VAL A  64
PHE A  80
PHE A  82
ASP A  86
LEU A 135
 None
 0.53A 3ti1A-4yc6A:
36.2		 3ti1A-4yc6A:
65.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  10
ALA A  31
VAL A  64
PHE A  80
PHE A  82
 None
 0.61A 3ti1A-4yc6A:
36.2		 3ti1A-4yc6A:
65.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  64
PHE A  80
ASP A  86
LEU A 135
ASP A 146
 None
 0.83A 3ti1A-4yc6A:
36.2		 3ti1A-4yc6A:
65.77
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.
5bx1 PROTEIN TYROSINE
PHOSPHATASE TYPE IVA
1

(Homo sapiens) 		PF00782
(DSPc) 		5 ILE A 120
ALA A 129
VAL A  12
PHE A 132
LYS A  89
 None
None
None
4XA  A 201 (-4.1A)
None
 1.33A 3ti1A-5bx1A:
undetectable		 3ti1A-5bx1A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cfk PROLIFERATING CELL
NUCLEAR
ANTIGEN,PROLIFERATIN
G CELL NUCLEAR
ANTIGEN

(Leishmania
donovani) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ALA A 216
VAL A 237
PHE A 215
LYS A 168
LEU A 227
 None
 1.25A 3ti1A-5cfkA:
undetectable		 3ti1A-5cfkA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmt ALGINATE LYASE

(Aplysia kurodai) 		no annotation 5 ILE A  49
ALA A  65
PHE A 232
LEU A  20
ASP A  32
 None
 1.22A 3ti1A-5gmtA:
undetectable		 3ti1A-5gmtA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 ILE A 319
VAL A  41
PHE A 333
ASP A  69
LEU A  13
 None
 1.16A 3ti1A-5h71A:
undetectable		 3ti1A-5h71A:
20.85
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.
5ig1 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF00069
(Pkinase) 		5 ILE A  24
ALA A  45
VAL A  78
PHE A  94
LEU A 147
 None
 0.88A 3ti1A-5ig1A:
23.4		 3ti1A-5ig1A:
27.75
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  22
ALA A  43
VAL A  74
PHE A  92
LEU A 143
 6G2  A 901 (-3.8A)
6G2  A 901 (-3.2A)
None
6G2  A 901 (-4.1A)
6G2  A 901 (-4.7A)
 0.36A 3ti1A-5j5tA:
24.3		 3ti1A-5j5tA:
27.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jzn SERINE/THREONINE-PRO
TEIN KINASE DCLK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 396
ALA A 417
VAL A 449
ASP A 472
LEU A 518
 GUI  A 701 (-4.1A)
GUI  A 701 ( 3.9A)
None
None
GUI  A 701 (-4.4A)
 0.68A 3ti1A-5jznA:
24.3		 3ti1A-5jznA:
32.91
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  60
VAL A  94
ASP A 117
LYS A 119
LEU A 163
 STU  A 901 (-3.3A)
None
STU  A 901 (-4.2A)
None
STU  A 901 (-4.5A)
 1.09A 3ti1A-5lohA:
24.1		 3ti1A-5lohA:
26.86
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  94
ASP A 117
LYS A 119
LEU A 163
ASP A 174
 None
STU  A 901 (-4.2A)
None
STU  A 901 (-4.5A)
STU  A 901 (-4.1A)
 0.97A 3ti1A-5lohA:
24.1		 3ti1A-5lohA:
26.86
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.
5lpy PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 889
ALA A 909
VAL A 940
PHE A 958
LEU A1016
 None
ATP  A1200 (-3.5A)
None
ATP  A1200 ( 4.0A)
ATP  A1200 (-4.6A)
 0.76A 3ti1A-5lpyA:
20.7		 3ti1A-5lpyA:
27.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lpz PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 889
ALA A 909
VAL A 940
PHE A 958
LEU A1016
 ADP  A1200 (-4.7A)
ADP  A1200 (-3.5A)
None
ADP  A1200 (-4.1A)
ADP  A1200 (-4.7A)
 0.79A 3ti1A-5lpzA:
20.6		 3ti1A-5lpzA:
26.48
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1

(Saccharomyces
cerevisiae) 		no annotation 6 ILE A 358
ALA A 379
VAL A 413
PHE A 431
ASP A 436
LEU A 482
 ANP  A 801 (-4.2A)
ANP  A 801 ( 3.9A)
ANP  A 801 ( 4.9A)
ANP  A 801 ( 4.9A)
ANP  A 801 (-3.4A)
ANP  A 801 (-4.8A)
 0.63A 3ti1A-5nclA:
23.2		 3ti1A-5nclA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 5 ILE A 327
ALA A 348
VAL A 379
PHE A 397
LEU A 447
 M77  A 601 ( 4.8A)
M77  A 601 ( 3.5A)
None
M77  A 601 (-4.1A)
M77  A 601 (-4.6A)
 0.56A 3ti1A-5vefA:
25.6		 3ti1A-5vefA:
27.78
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 5 ILE A 215
ALA A 236
PHE A 288
ASP A 294
LEU A 342
 None
HRM  A 601 (-3.5A)
HRM  A 601 (-3.6A)
None
None
 0.71A 3ti1A-5y86A:
27.1		 3ti1A-5y86A:
13.09
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ILE A 733
ALA A 754
PHE A 813
ASP A 819
LEU A 866
 CJM  A1102 (-3.4A)
CJM  A1102 (-3.1A)
CJM  A1102 ( 4.4A)
CJM  A1102 (-4.1A)
CJM  A1102 (-4.4A)
 0.41A 3ti1A-6b3eA:
32.2		 3ti1A-6b3eA:
21.31
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ILE A 733
ALA A 754
VAL A 787
ASP A 819
LEU A 866
 CJM  A1102 (-3.4A)
CJM  A1102 (-3.1A)
None
CJM  A1102 (-4.1A)
CJM  A1102 (-4.4A)
 0.78A 3ti1A-6b3eA:
32.2		 3ti1A-6b3eA:
21.31
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ILE A 733
VAL A 787
ASP A 819
LEU A 866
ASP A 877
 CJM  A1102 (-3.4A)
None
CJM  A1102 (-4.1A)
CJM  A1102 (-4.4A)
MG  A1101 (-2.5A)
 0.73A 3ti1A-6b3eA:
32.2		 3ti1A-6b3eA:
21.31
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 ILE A 171
ALA A 192
VAL A 249
PHE A 267
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.3A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.7A)
 0.69A 3ti1A-6bqlA:
22.4		 3ti1A-6bqlA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 5 ALA A 906
VAL A 938
PHE A 958
LYS A 965
LEU A1010
 ADP  A1201 (-3.4A)
None
None
None
ADP  A1201 (-4.5A)
 0.56A 3ti1A-6c7yA:
23.3		 3ti1A-6c7yA:
13.91
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.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo sapiens) 		no annotation 5 ILE A 134
ALA A 155
VAL A 212
PHE A 230
LEU A 282
 H1N  A 501 (-4.3A)
H1N  A 501 (-3.4A)
H1N  A 501 (-4.9A)
H1N  A 501 (-3.7A)
H1N  A 501 (-4.8A)
 0.59A 3ti1A-6ccfA:
24.2		 3ti1A-6ccfA:
13.00
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 ILE A 171
ALA A 192
VAL A 249
PHE A 267
LEU A 319
 F6J  A 501 (-4.3A)
F6J  A 501 (-3.4A)
None
F6J  A 501 (-3.7A)
F6J  A 501 (-4.5A)
 0.64A 3ti1A-6cmjA:
23.7		 3ti1A-6cmjA:
17.19
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 ILE A  34
ALA A  49
VAL A  88
PHE A  79
LEU A  62
 None
 1.18A 3ti1A-6cxdA:
undetectable		 3ti1A-6cxdA:
14.04
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ILE A 350
ALA A 354
PHE A 357
ASP A 275
LEU A 311
 None
 1.32A 3ti1A-6fhwA:
undetectable		 3ti1A-6fhwA:
17.28