SIMILAR PATTERNS OF AMINO ACIDS FOR 3HEC_A_STIA1

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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  54
GLU A  74
LEU A  78
ILE A  87
LEU A 170
 ANP  A 400 (-3.3A)
None
None
ANP  A 400 (-4.9A)
ANP  A 400 (-4.0A)
 0.77A 3hecA-1cm8A:
36.7		 3hecA-1cm8A:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  33
ALA A  54
LYS A  56
GLU A  74
LEU A  78
ILE A  87
 ANP  A 400 ( 4.9A)
ANP  A 400 (-3.3A)
ANP  A 400 (-2.9A)
None
None
ANP  A 400 (-4.9A)
 0.68A 3hecA-1cm8A:
36.7		 3hecA-1cm8A:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  33
ALA A  54
LYS A  56
LEU A  77
LEU A  78
 ANP  A 400 ( 4.9A)
ANP  A 400 (-3.3A)
ANP  A 400 (-2.9A)
None
None
 0.73A 3hecA-1cm8A:
36.7		 3hecA-1cm8A:
61.84
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		5 VAL A  59
ALA A 206
ILE A 165
LEU A 211
ASP A 167
 None
None
None
None
PLP  A4401 (-2.9A)
 0.95A 3hecA-1m32A:
undetectable		 3hecA-1m32A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 621
LEU A 644
THR A 670
ASP A 810
PHE A 811
 STI  A   3 (-3.5A)
STI  A   3 (-4.4A)
STI  A   3 (-3.2A)
STI  A   3 (-3.9A)
STI  A   3 (-3.6A)
 0.60A 3hecA-1t46A:
20.3		 3hecA-1t46A:
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.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 621
LYS A 623
GLU A 640
LEU A 644
THR A 670
PHE A 811
 STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-3.6A)
STI  A   3 (-4.4A)
STI  A   3 (-3.2A)
STI  A   3 (-3.6A)
 0.67A 3hecA-1t46A:
20.3		 3hecA-1t46A:
26.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
ILE A  77
 None
 0.47A 3hecA-1zwsA:
22.7		 3hecA-1zwsA:
30.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
 None
 0.52A 3hecA-1zwsA:
22.7		 3hecA-1zwsA:
30.18
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
ILE A  77
 GOL  A3001 (-3.5A)
None
None
None
GOL  A3001 (-4.8A)
 0.52A 3hecA-2a2aA:
22.3		 3hecA-2a2aA:
28.34
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
 GOL  A3001 (-3.5A)
None
None
None
None
 0.51A 3hecA-2a2aA:
22.3		 3hecA-2a2aA:
28.34
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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  60
LEU A  91
ASP A 156
 None
 0.71A 3hecA-2bdwA:
21.9		 3hecA-2bdwA:
29.10
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 184
LYS A 186
GLU A 201
LEU A 205
LEU A 238
 None
 0.46A 3hecA-2eu9A:
25.4		 3hecA-2eu9A:
27.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ALA A  40
LEU A  63
ILE A  72
LEU A  95
ASP A 155
 ADP  A 500 ( 3.7A)
None
None
ADP  A 500 ( 4.9A)
ADP  A 500 ( 2.9A)
 0.81A 3hecA-2f9gA:
23.7		 3hecA-2f9gA:
45.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 ALA A  40
LYS A  42
GLU A  59
LEU A  63
ILE A  72
LEU A  95
 ADP  A 500 ( 3.7A)
ADP  A 500 (-2.9A)
None
None
None
ADP  A 500 ( 4.9A)
 0.52A 3hecA-2f9gA:
23.7		 3hecA-2f9gA:
45.30
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 271
LYS A 273
GLU A 288
LEU A 291
THR A 316
ASP A 382
 1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
None
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.3A)
 0.61A 3hecA-2og8A:
18.9		 3hecA-2og8A:
26.57
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		5 ALA A  46
LEU A  77
ILE A  87
LEU A 105
ASP A 167
 ATP  A 381 (-3.5A)
None
None
None
MN  A 382 (-2.0A)
 1.04A 3hecA-2phkA:
22.2		 3hecA-2phkA:
29.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 627
ALA A 651
ILE A 683
THR A 699
ASP A 764
 None
PTR  A 701 ( 4.7A)
None
None
None
 0.76A 3hecA-2qobA:
21.1		 3hecA-2qobA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 627
ALA A 651
LYS A 653
GLU A 670
ILE A 683
 None
PTR  A 701 ( 4.7A)
None
None
None
 0.87A 3hecA-2qobA:
21.1		 3hecA-2qobA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 627
ALA A 651
LYS A 653
ILE A 683
ASP A 764
 None
PTR  A 701 ( 4.7A)
None
None
None
 0.78A 3hecA-2qobA:
21.1		 3hecA-2qobA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		7 ALA A 449
LYS A 451
GLU A 463
LEU A 467
ILE A 477
THR A 493
LEU A 495
 None
 0.62A 3hecA-2qr7A:
19.2		 3hecA-2qr7A:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
ILE A  77
 ADP  A1303 (-3.5A)
ADP  A1303 (-2.7A)
ADP  A1303 ( 4.8A)
None
ADP  A1303 ( 4.2A)
 0.56A 3hecA-2w4kA:
22.4		 3hecA-2w4kA:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
 ADP  A1303 (-3.5A)
ADP  A1303 (-2.7A)
ADP  A1303 ( 4.8A)
None
None
 0.56A 3hecA-2w4kA:
22.4		 3hecA-2w4kA:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 445
LEU A 463
ILE A 473
LEU A 491
ASP A 557
 None
 0.95A 3hecA-2wntA:
19.0		 3hecA-2wntA:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 ALA A 445
LYS A 447
GLU A 459
LEU A 463
ILE A 473
THR A 489
LEU A 491
 None
 0.80A 3hecA-2wntA:
19.0		 3hecA-2wntA:
30.85
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
ILE A  77
 AMP  A1302 (-3.6A)
AMP  A1302 (-2.8A)
None
None
AMP  A1302 ( 3.8A)
 0.64A 3hecA-2yabA:
22.3		 3hecA-2yabA:
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.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
 AMP  A1302 (-3.6A)
AMP  A1302 (-2.8A)
None
None
AMP  A1302 ( 4.9A)
 0.56A 3hecA-2yabA:
22.3		 3hecA-2yabA:
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
 4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
4RB  A 401 (-4.4A)
 0.56A 3hecA-3bqrA:
21.0		 3hecA-3bqrA:
28.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  40
LYS A  42
LEU A  68
ILE A  77
LEU A  95
 4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
4RB  A 401 (-4.4A)
 0.66A 3hecA-3bqrA:
21.0		 3hecA-3bqrA:
28.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A  72
LEU A  75
LEU A  76
ILE A  85
ASP A 168
 None
 0.95A 3hecA-3coiA:
37.7		 3hecA-3coiA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  31
ALA A  52
GLU A  72
LEU A  75
LEU A  76
ILE A  85
LEU A 167
 None
 0.68A 3hecA-3coiA:
37.7		 3hecA-3coiA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  53
GLU A  73
LEU A  77
ILE A  86
LEU A 110
LEU A 168
 35F  A   1 (-3.6A)
None
None
None
35F  A   1 (-4.5A)
35F  A   1 (-4.5A)
 0.74A 3hecA-3e7oA:
34.1		 3hecA-3e7oA:
50.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  53
LYS A  55
GLU A  73
LEU A  77
ILE A  86
LEU A 110
 35F  A   1 (-3.6A)
35F  A   1 ( 4.6A)
None
None
None
35F  A   1 (-4.5A)
 0.53A 3hecA-3e7oA:
34.1		 3hecA-3e7oA:
50.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  53
LYS A  55
LEU A  77
ILE A  86
LEU A 110
ASP A 169
 35F  A   1 (-3.6A)
35F  A   1 ( 4.6A)
None
None
35F  A   1 (-4.5A)
None
 0.68A 3hecA-3e7oA:
34.1		 3hecA-3e7oA:
50.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eea GAF DOMAIN/HD DOMAIN
PROTEIN

(Geobacter
sulfurreducens) 		PF13492
(GAF_3) 		5 VAL A  61
LEU A  79
ILE A  72
LEU A 103
ASP A  45
 None
None
PG6  A 163 (-4.4A)
PG6  A 163 (-4.7A)
None
 1.06A 3hecA-3eeaA:
undetectable		 3hecA-3eeaA:
21.36
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  65
LYS A  67
GLU A  89
LEU A  92
LEU A  93
 985  A   1 (-3.5A)
985  A   1 ( 2.8A)
MG  A 314 (-3.6A)
None
MG  A 314 ( 4.8A)
 0.73A 3hecA-3f2aA:
20.7		 3hecA-3f2aA:
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  65
LYS A  67
GLU A  89
LEU A  93
ILE A 104
 985  A   1 (-3.5A)
985  A   1 ( 2.8A)
MG  A 314 (-3.6A)
MG  A 314 ( 4.8A)
985  A   1 ( 4.7A)
 0.60A 3hecA-3f2aA:
20.7		 3hecA-3f2aA:
24.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		9 ALA A  51
GLU A  71
LEU A  74
LEU A  75
THR A 106
LEU A 108
LEU A 167
ASP A 168
PHE A 169
 NIL  A   1 (-3.7A)
NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
NIL  A   1 ( 4.4A)
NIL  A   1 (-4.0A)
NIL  A   1 (-4.6A)
NIL  A   1 (-3.5A)
 0.70A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		8 ALA A  51
GLU A  71
LEU A  75
ILE A  84
THR A 106
LEU A 167
ASP A 168
PHE A 169
 NIL  A   1 (-3.7A)
NIL  A   1 (-3.7A)
NIL  A   1 ( 4.8A)
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
NIL  A   1 (-4.0A)
NIL  A   1 (-4.6A)
NIL  A   1 (-3.5A)
 0.67A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  51
LEU A  78
LEU A  75
ILE A  84
THR A 106
LEU A 167
 NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-4.4A)
NIL  A   1 (-3.3A)
NIL  A   1 (-4.0A)
 1.49A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		6 ALA A  51
LYS A  53
THR A 106
LEU A 108
LEU A 167
ASP A 168
 NIL  A   1 (-3.7A)
None
NIL  A   1 (-3.3A)
NIL  A   1 ( 4.4A)
NIL  A   1 (-4.0A)
NIL  A   1 (-4.6A)
 0.73A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		9 VAL A  30
ALA A  51
GLU A  71
LEU A  74
LEU A  75
THR A 106
LEU A 108
ASP A 168
PHE A 169
 None
NIL  A   1 (-3.7A)
NIL  A   1 (-3.7A)
None
NIL  A   1 ( 4.8A)
NIL  A   1 (-3.3A)
NIL  A   1 ( 4.4A)
NIL  A   1 (-4.6A)
NIL  A   1 (-3.5A)
 0.82A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		6 VAL A  30
ALA A  51
LYS A  53
THR A 106
LEU A 108
ASP A 168
 None
NIL  A   1 (-3.7A)
None
NIL  A   1 (-3.3A)
NIL  A   1 ( 4.4A)
NIL  A   1 (-4.6A)
 0.61A 3hecA-3gp0A:
41.8		 3hecA-3gp0A:
75.72
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.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 859
GLU A 878
LEU A 882
ASP A1040
PHE A1041
 8ST  A2001 ( 3.8A)
8ST  A2001 (-3.7A)
None
None
8ST  A2001 ( 3.7A)
 0.67A 3hecA-3hngA:
20.9		 3hecA-3hngA:
26.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 453
LYS A 455
GLU A 468
LEU A 472
LEU A 500
 ANP  A 400 ( 3.8A)
None
None
None
ANP  A 400 (-4.6A)
 0.74A 3hecA-3kn5A:
18.2		 3hecA-3kn5A:
26.15
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 ALA A 700
GLU A 715
LEU A 719
ILE A 729
LEU A 747
 ADP  A2101 (-3.5A)
None
None
None
None
 0.86A 3hecA-3lj0A:
19.9		 3hecA-3lj0A:
27.88
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 ALA A 700
LYS A 702
GLU A 715
ILE A 729
LEU A 747
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
None
 0.73A 3hecA-3lj0A:
19.9		 3hecA-3lj0A:
27.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 ALA A  57
LYS A  59
GLU A  77
LEU A  81
ILE A  90
 ANP  A 430 (-3.5A)
ANP  A 430 (-2.5A)
ANP  A 430 ( 4.4A)
None
ANP  A 430 ( 4.5A)
 0.74A 3hecA-3nieA:
33.5		 3hecA-3nieA:
33.10
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 ALA A 213
LYS A 215
GLU A 234
LEU A 238
LEU A 265
 AMP  A 577 (-3.4A)
AMP  A 577 (-2.8A)
None
None
AMP  A 577 ( 4.9A)
 0.54A 3hecA-3nyoA:
22.4		 3hecA-3nyoA:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 ALA A  52
ILE A  85
THR A 107
LEU A 109
PHE A 170
 1N1  A1000 (-3.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
1N1  A1000 (-4.7A)
1N1  A1000 (-4.5A)
 0.71A 3hecA-3ohtA:
35.2		 3hecA-3ohtA:
87.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		5 ALA A  52
ILE A  85
THR A 107
LEU A 168
PHE A 170
 1N1  A1000 (-3.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
1N1  A1000 ( 3.7A)
1N1  A1000 (-4.5A)
 0.85A 3hecA-3ohtA:
35.2		 3hecA-3ohtA:
87.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		9 VAL A  31
ALA A  52
LYS A  54
GLU A  72
LEU A  75
LEU A  76
ILE A  85
THR A 107
LEU A 168
 1N1  A1000 ( 4.3A)
1N1  A1000 (-3.7A)
1N1  A1000 (-4.5A)
1N1  A1000 (-4.2A)
None
1N1  A1000 (-4.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
1N1  A1000 ( 3.7A)
 0.63A 3hecA-3ohtA:
35.2		 3hecA-3ohtA:
87.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		8 VAL A  31
ALA A  52
LYS A  54
GLU A  72
LEU A  76
ILE A  85
THR A 107
LEU A 109
 1N1  A1000 ( 4.3A)
1N1  A1000 (-3.7A)
1N1  A1000 (-4.5A)
1N1  A1000 (-4.2A)
1N1  A1000 (-4.7A)
1N1  A1000 ( 4.1A)
1N1  A1000 (-3.3A)
1N1  A1000 (-4.7A)
 0.64A 3hecA-3ohtA:
35.2		 3hecA-3ohtA:
87.07
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 373
LYS A 375
GLU A 393
LEU A 397
THR A 421
 SM5  A   1 (-3.6A)
SM5  A   1 (-3.5A)
SM5  A   1 (-4.3A)
None
SM5  A   1 (-4.4A)
 0.65A 3hecA-3omvA:
20.6		 3hecA-3omvA:
27.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 ALA A  49
LEU A  81
LEU A  82
THR A 112
LEU A 114
 None
 0.60A 3hecA-3pg1A:
25.1		 3hecA-3pg1A:
37.00
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 ALA A  84
LYS A  86
GLU A 115
LEU A 118
LEU A 119
ILE A 128
THR A 144
 ANP  A1634 (-3.6A)
ANP  A1634 (-3.1A)
None
None
None
None
ANP  A1634 (-4.6A)
 0.78A 3hecA-3q5iA:
22.4		 3hecA-3q5iA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qd2 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA B 616
LYS B 618
GLU B 635
LEU B 639
LEU B 888
 None
 0.52A 3hecA-3qd2B:
21.1		 3hecA-3qd2B:
25.32
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  10
ALA A  31
LYS A  33
GLU A  50
LEU A  54
 38R  A 350 (-4.4A)
38R  A 350 (-3.4A)
38R  A 350 (-2.9A)
38R  A 350 ( 4.8A)
None
 0.72A 3hecA-3zduA:
21.9		 3hecA-3zduA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  82
GLU A 102
LEU A 106
ILE A 115
LEU A 139
 R4L  A1394 ( 3.7A)
None
None
R4L  A1394 (-4.9A)
R4L  A1394 ( 4.9A)
 0.88A 3hecA-4b99A:
35.9		 3hecA-4b99A:
41.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  82
LEU A 106
ILE A 115
LEU A 139
ASP A 200
 R4L  A1394 ( 3.7A)
None
R4L  A1394 (-4.9A)
R4L  A1394 ( 4.9A)
None
 0.73A 3hecA-4b99A:
35.9		 3hecA-4b99A:
41.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  82
LYS A  84
ILE A 115
LEU A 139
ASP A 200
 R4L  A1394 ( 3.7A)
None
R4L  A1394 (-4.9A)
R4L  A1394 ( 4.9A)
None
 0.63A 3hecA-4b99A:
35.9		 3hecA-4b99A:
41.98
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		5 ALA A 267
LYS A 269
GLU A 288
LEU A 292
ILE A 302
 None
 0.80A 3hecA-4c0tA:
22.4		 3hecA-4c0tA:
15.98
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.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 653
LYS A 655
GLU A 672
ILE A 685
THR A 701
ASP A 784
 DI1  A1000 (-3.6A)
DI1  A1000 (-3.9A)
DI1  A1000 (-3.8A)
DI1  A1000 (-4.5A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.1A)
 0.50A 3hecA-4ckrA:
21.4		 3hecA-4ckrA:
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.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 653
LYS A 655
GLU A 672
THR A 701
ASP A 784
PHE A 785
 DI1  A1000 (-3.6A)
DI1  A1000 (-3.9A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-4.1A)
DI1  A1000 (-4.5A)
 0.87A 3hecA-4ckrA:
21.4		 3hecA-4ckrA:
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.
4dfc UVRABC SYSTEM
PROTEIN A

(Escherichia
coli) 		no annotation 5 ALA B 224
LEU B 166
LEU B 169
ILE B 154
LEU B 225
 None
 1.03A 3hecA-4dfcB:
undetectable		 3hecA-4dfcB:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		5 ALA A 218
LYS A 220
GLU A 239
LEU A 243
LEU A 273
 29X  A 702 (-3.1A)
29X  A 702 (-3.6A)
None
None
29X  A 702 (-4.6A)
 0.51A 3hecA-4mk0A:
22.7		 3hecA-4mk0A:
21.18
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A  67
LYS A  69
GLU A  85
THR A 123
LEU A 125
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.8A)
 0.34A 3hecA-4o38A:
18.1		 3hecA-4o38A:
25.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 ALA A  49
LYS A  51
GLU A  70
LEU A  73
LEU A  74
 ANP  A 402 (-3.3A)
ANP  A 402 (-2.8A)
ANP  A 402 (-3.0A)
None
None
 0.66A 3hecA-4qnyA:
32.8		 3hecA-4qnyA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 ALA A  49
LYS A  51
GLU A  70
LEU A  74
ILE A  83
 ANP  A 402 (-3.3A)
ANP  A 402 (-2.8A)
ANP  A 402 (-3.0A)
None
ANP  A 402 (-4.8A)
 0.57A 3hecA-4qnyA:
32.8		 3hecA-4qnyA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		5 GLU B  71
LEU B  75
ILE B  84
LEU B 167
ASP B 168
 39G  B 401 (-3.4A)
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 0.79A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		5 LEU B  75
ILE B  84
THR B 106
LEU B 167
ASP B 168
 39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 0.81A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		6 LYS B  53
ILE B  84
THR B 106
LEU B 108
LEU B 167
ASP B 168
 39G  B 401 (-4.2A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 ( 4.9A)
39G  B 401 (-3.6A)
39G  B 401 (-3.5A)
 0.85A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL B  30
ALA B  51
LEU B  74
ILE B  84
THR B 106
LEU B 108
LEU B 167
 None
39G  B 401 (-3.5A)
None
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 ( 4.9A)
39G  B 401 (-3.6A)
 0.59A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL B  30
ALA B  51
LEU B  74
LEU B  75
ILE B  84
THR B 106
LEU B 167
 None
39G  B 401 (-3.5A)
None
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 (-3.6A)
 0.63A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL B  30
ALA B  51
LYS B  53
ILE B  84
THR B 106
LEU B 108
LEU B 167
 None
39G  B 401 (-3.5A)
39G  B 401 (-4.2A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
39G  B 401 ( 4.9A)
39G  B 401 (-3.6A)
 0.65A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		6 VAL B  30
GLU B  71
LEU B  74
LEU B  75
ILE B  84
LEU B 167
 None
39G  B 401 (-3.4A)
None
39G  B 401 (-4.3A)
39G  B 401 ( 3.8A)
39G  B 401 (-3.6A)
 0.66A 3hecA-4tyhB:
41.0		 3hecA-4tyhB:
99.42
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 488
LYS A 490
GLU A 509
LEU A 513
THR A 539
 4CV  A 801 (-3.5A)
4CV  A 801 (-3.9A)
None
None
4CV  A 801 (-2.8A)
 0.49A 3hecA-4yffA:
19.7		 3hecA-4yffA:
22.87
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ALA A  55
LYS A  57
GLU A  76
LEU A  80
THR A 105
 ADP  A 506 (-3.3A)
ADP  A 506 (-2.4A)
None
None
ADP  A 506 ( 4.6A)
 0.77A 3hecA-4ysjA:
15.2		 3hecA-4ysjA:
25.05
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LYS A  57
GLU A  76
LEU A  79
LEU A  80
THR A 105
 ADP  A 506 (-2.4A)
None
None
None
ADP  A 506 ( 4.6A)
 1.01A 3hecA-4ysjA:
15.2		 3hecA-4ysjA:
25.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		5 ALA A  51
ILE A  84
LEU A 108
LEU A 166
ASP A 167
 ANP  A 401 (-3.5A)
None
ANP  A 401 ( 4.8A)
ANP  A 401 ( 4.5A)
None
 1.00A 3hecA-5awmA:
35.7		 3hecA-5awmA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		5 ALA A  51
LYS A  53
ILE A  84
LEU A 108
ASP A 167
 ANP  A 401 (-3.5A)
ANP  A 401 (-2.9A)
None
ANP  A 401 ( 4.8A)
None
 0.63A 3hecA-5awmA:
35.7		 3hecA-5awmA:
44.33
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.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  31
ALA A  52
LYS A  54
GLU A  69
LEU A  73
 VAL  A  31 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
 0.48A 3hecA-5d7aA:
17.9		 3hecA-5d7aA:
25.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbx STE20/SPS1-RELATED
PROLINE-ALANINE-RICH
PROTEIN KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA A 352
LYS A 347
LEU A 328
LEU A 325
LEU A 344
 None
CAS  A 346 ( 2.8A)
None
CAS  A 346 ( 4.8A)
None
 1.03A 3hecA-5dbxA:
19.2		 3hecA-5dbxA:
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 250
ALA A 275
LYS A 277
GLU A 290
THR A 325
 STU  A 601 (-3.9A)
STU  A 601 (-3.1A)
STU  A 601 (-2.4A)
STU  A 601 ( 3.8A)
STU  A 601 ( 3.7A)
 0.59A 3hecA-5e8yA:
16.4		 3hecA-5e8yA:
25.78
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 ALA A 561
ILE A 595
THR A 611
LEU A 613
ASP A 675
 4ZS  A 901 ( 3.8A)
4ZS  A 901 (-4.3A)
4ZS  A 901 (-3.2A)
4ZS  A 901 (-4.7A)
None
 0.75A 3hecA-5ezrA:
20.3		 3hecA-5ezrA:
17.90
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 ALA A 561
LYS A 563
ILE A 595
THR A 611
LEU A 613
 4ZS  A 901 ( 3.8A)
4ZS  A 901 (-3.9A)
4ZS  A 901 (-4.3A)
4ZS  A 901 (-3.2A)
4ZS  A 901 (-4.7A)
 0.65A 3hecA-5ezrA:
20.3		 3hecA-5ezrA:
17.90
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.
5fqd CASEIN KINASE I
ISOFORM ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA C  44
LYS C  46
GLU C  60
LEU C  63
LEU C  92
 None
 0.74A 3hecA-5fqdC:
15.1		 3hecA-5fqdC:
23.77
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.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 ALA A 625
LYS A 627
GLU A 644
THR A 674
ASP A 836
PHE A 837
 748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.3A)
748  A1001 (-3.2A)
748  A1001 (-4.8A)
748  A1001 (-3.7A)
 0.66A 3hecA-5grnA:
17.5		 3hecA-5grnA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i35 ATYPICAL KINASE
ADCK3, MITOCHONDRIAL

(Homo sapiens) 		PF03109
(ABC1) 		6 ALA A 356
LYS A 358
GLU A 411
THR A 445
LEU A 447
LEU A 506
 ANP  A 700 ( 3.7A)
ANP  A 700 (-3.0A)
None
ANP  A 700 (-4.1A)
ANP  A 700 ( 4.5A)
ANP  A 700 ( 4.3A)
 0.85A 3hecA-5i35A:
7.4		 3hecA-5i35A:
21.59
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 ALA A 340
THR A 282
LEU A 278
ASP A 319
PHE A 322
 HEM  A 401 (-4.7A)
None
None
None
None
 1.03A 3hecA-5it1A:
undetectable		 3hecA-5it1A:
23.22
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 ALA A 417
LYS A 419
GLU A 436
LEU A 440
LEU A 467
 GUI  A 701 ( 3.9A)
GUI  A 701 (-3.1A)
None
None
GUI  A 701 ( 4.7A)
 0.76A 3hecA-5jznA:
23.4		 3hecA-5jznA:
30.33
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 5 ALA A  65
LYS A  67
GLU A  89
LEU A  92
LEU A  93
 7LK  A 401 (-3.3A)
None
None
None
None
 0.74A 3hecA-5turA:
21.0		 3hecA-5turA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 ALA A 218
LYS A 220
GLU A 239
LEU A 243
LEU A 273
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
QRW  A 601 (-3.9A)
None
None
 0.49A 3hecA-5uuuA:
22.9		 3hecA-5uuuA:
24.18
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.
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 137
LYS A 139
GLU A 157
THR A 187
LEU A 189
 H8H  A 401 (-3.3A)
H8H  A 401 (-4.9A)
None
H8H  A 401 (-3.5A)
None
 0.79A 3hecA-5vcxA:
18.1		 3hecA-5vcxA:
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 VAL A 455
ILE A 481
THR A 469
LEU A 467
LEU A 395
 None
 1.09A 3hecA-5w81A:
undetectable		 3hecA-5w81A:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ALA A  70
LYS A  72
GLU A  85
LEU A  89
ILE A  99
 ATP  A 403 (-3.4A)
ATP  A 403 (-3.2A)
None
None
ATP  A 403 (-4.9A)
 0.66A 3hecA-5xvuA:
25.0		 3hecA-5xvuA:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 204
ALA A 225
LYS A 227
GLU A 244
LEU A 248
 None
 0.63A 3hecA-5xzwA:
18.2		 3hecA-5xzwA:
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 5 ALA A 236
LYS A 238
GLU A 253
ILE A 272
LEU A 290
 HRM  A 601 (-3.5A)
HRM  A 601 (-3.3A)
HRM  A 601 ( 4.6A)
HRM  A 601 ( 4.8A)
HRM  A 601 (-4.6A)
 0.63A 3hecA-5y86A:
21.9		 3hecA-5y86A:
13.49
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.
6cno INTERMEDIATE
CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 4

(Homo sapiens) 		no annotation 5 LEU A 217
ILE A 244
THR A 270
LEU A 268
LEU A 223
 None
 1.04A 3hecA-6cnoA:
undetectable		 3hecA-6cnoA:
14.20
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 5 ALA A 191
LYS A 193
GLU A 208
LEU A 212
LEU A 245
 3NG  A 501 (-3.3A)
3NG  A 501 (-3.0A)
3NG  A 501 ( 4.9A)
None
3NG  A 501 ( 4.7A)
 0.55A 3hecA-6fylA:
25.2		 3hecA-6fylA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 5 ALA A 189
LYS A 191
GLU A 206
LEU A 210
LEU A 243
 3NG  A 501 (-3.5A)
3NG  A 501 (-2.7A)
3NG  A 501 ( 4.7A)
None
3NG  A 501 ( 4.7A)
 0.60A 3hecA-6fyvA:
25.2		 3hecA-6fyvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LEU A  58
MET A  66
ILE A 279
ASP A 235
 None
 1.49A 3hecA-1by8A:
undetectable		 3hecA-1by8A:
20.63
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 LEU A 320
MET A 223
ILE A  34
ASP A 178
 None
 1.24A 3hecA-1ljyA:
0.0		 3hecA-1ljyA:
19.95
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		4 LEU A 345
MET A 317
ILE A 562
ASP A 593
 None
 1.35A 3hecA-1uf2A:
0.4		 3hecA-1uf2A:
15.88
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		4 LEU A  68
MET A 170
ILE A 203
ASP A 179
 None
 1.13A 3hecA-1vgpA:
0.0		 3hecA-1vgpA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 LEU A  10
MET A 146
ILE A  89
ASP A 189
 None
 1.49A 3hecA-2fpgA:
0.0		 3hecA-2fpgA:
23.29
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		4 LEU A 115
MET A 227
ILE A 260
ASP A 236
 None
 1.10A 3hecA-2h12A:
1.3		 3hecA-2h12A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h84 STEELY1

(Dictyostelium
discoideum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A2934
MET A3003
ILE A3087
ASP A3047
 None
 1.50A 3hecA-2h84A:
undetectable		 3hecA-2h84A:
24.76
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.
2hcu 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Streptococcus
mutans) 		PF00694
(Aconitase_C) 		4 LEU A  91
MET A   1
ILE A 121
ASP A 106
 None
 1.34A 3hecA-2hcuA:
undetectable		 3hecA-2hcuA:
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		4 LEU A 228
MET A 262
ILE A 170
ASP A 269
 None
 1.11A 3hecA-2hi1A:
undetectable		 3hecA-2hi1A:
23.49
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		4 LEU A 360
MET A 334
ILE A 321
ASP A 514
 None
 1.26A 3hecA-2hjhA:
undetectable		 3hecA-2hjhA:
22.14
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 274
MET A 192
ILE A 328
ASP A 239
 None
 1.49A 3hecA-2pbgA:
undetectable		 3hecA-2pbgA:
20.34
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) 		4 LEU A 154
MET A  57
ILE A 198
ASP A  88
 None
 1.44A 3hecA-2pmiA:
23.4		 3hecA-2pmiA:
32.69
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		4 LEU A 111
MET A 134
ILE A  85
ASP A 147
 None
 0.97A 3hecA-2qu7A:
undetectable		 3hecA-2qu7A:
21.80
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		4 LEU A 121
MET A 132
ILE B  21
ASP B  28
 None
 1.46A 3hecA-2xsjA:
1.5		 3hecA-2xsjA:
20.35
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 253
MET A 201
ILE A 187
ASP A 181
 None
 1.47A 3hecA-2z63A:
undetectable		 3hecA-2z63A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 LEU A 249
MET A 201
ILE A 187
ASP A 181
 None
 1.48A 3hecA-2z65A:
undetectable		 3hecA-2z65A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		4 LEU A 413
MET A 374
ILE A 427
ASP A 361
 None
 1.41A 3hecA-3a5iA:
undetectable		 3hecA-3a5iA:
21.58
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		4 LEU B 407
MET B 452
ILE B 484
ASP B 477
 None
 1.43A 3hecA-3aq1B:
undetectable		 3hecA-3aq1B:
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.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 342
MET A  37
ILE A  99
ASP A  49
 None
None
None
NAD  A 401 (-2.9A)
 1.40A 3hecA-3cpsA:
undetectable		 3hecA-3cpsA:
21.74
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 LEU A  13
MET A  86
ILE A 124
ASP A  47
 None
 1.30A 3hecA-3ctzA:
undetectable		 3hecA-3ctzA:
20.32
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 143
MET A 181
ILE A  67
ASP A  63
 None
 0.93A 3hecA-3cymA:
undetectable		 3hecA-3cymA:
22.46
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.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		4 LEU A  74
MET A 151
ILE A 195
ASP A 191
 None
 1.18A 3hecA-3dttA:
undetectable		 3hecA-3dttA:
21.15
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LEU A 393
MET A 346
ILE A 430
ASP A 370
 None
None
None
PRO  A   1 ( 3.8A)
 1.14A 3hecA-3e2sA:
undetectable		 3hecA-3e2sA:
21.06
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.
3g3s GCN5-RELATED
N-ACETYLTRANSFERASE

(Streptococcus
suis) 		PF12746
(GNAT_acetyltran) 		4 LEU A  24
MET A   1
ILE A  66
ASP A  34
 EDO  A 251 (-3.9A)
None
None
None
 1.43A 3hecA-3g3sA:
undetectable		 3hecA-3g3sA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		4 LEU A 292
MET A 305
ILE A 658
ASP A 651
 None
 1.41A 3hecA-3i6sA:
undetectable		 3hecA-3i6sA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 LEU A 574
MET A 693
ILE A 629
ASP A 236
 None
 1.49A 3hecA-3kflA:
undetectable		 3hecA-3kflA:
21.34
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		4 LEU A  46
MET A 120
ILE A 230
ASP A  77
 None
None
None
IUM  A 428 (-2.6A)
 1.31A 3hecA-3l0oA:
undetectable		 3hecA-3l0oA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 LEU A 261
MET A 266
ILE A 307
ASP A 311
 None
 1.09A 3hecA-3nyoA:
22.6		 3hecA-3nyoA:
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.
3o8q SHIKIMATE
5-DEHYDROGENASE I
ALPHA

(Vibrio cholerae) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 LEU B 139
MET B 244
ILE B 207
ASP B 186
 None
 1.41A 3hecA-3o8qB:
undetectable		 3hecA-3o8qB:
21.98
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		4 LEU A 215
MET A 210
ILE A 234
ASP A 342
 None
 1.12A 3hecA-3ombA:
undetectable		 3hecA-3ombA:
22.64
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  42
MET A  75
ILE A 300
ASP A 104
 None
 1.04A 3hecA-3ritA:
undetectable		 3hecA-3ritA:
21.16
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 327
MET A  22
ILE A  84
ASP A  34
 None
None
None
NAD  A 380 (-2.7A)
 1.46A 3hecA-3sthA:
undetectable		 3hecA-3sthA:
22.34
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		4 LEU A 507
MET A 513
ILE A 583
ASP A 482
 None
 1.35A 3hecA-3u6nA:
undetectable		 3hecA-3u6nA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		4 LEU A 200
MET A 261
ILE A 189
ASP A 193
 SL0  A 400 (-4.7A)
None
None
None
 1.16A 3hecA-3ubdA:
4.2		 3hecA-3ubdA:
28.49
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.
3vs8 TYPE III POLYKETIDE
SYNTHASE

(Azotobacter
vinelandii) 		PF02797
(Chal_sti_synt_C) 		4 LEU A 404
MET A 199
ILE A 247
ASP A  14
 None
 1.42A 3hecA-3vs8A:
undetectable		 3hecA-3vs8A:
22.17
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.
3zh2 L-LACTATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 LEU A 315
MET A 106
ILE A 306
ASP A 272
 None
 1.35A 3hecA-3zh2A:
undetectable		 3hecA-3zh2A:
20.78
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.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		4 LEU A 165
MET A 373
ILE A 231
ASP A 204
 None
None
None
ZN  A 402 (-2.6A)
 1.46A 3hecA-4bhiA:
undetectable		 3hecA-4bhiA:
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 LEU A  40
MET A  23
ILE A 115
ASP A  88
 None
 1.45A 3hecA-4dvjA:
undetectable		 3hecA-4dvjA:
18.91
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 LEU A  30
MET A 152
ILE A 210
ASP A 189
 None
NAG  A 504 ( 3.8A)
None
ZN  A 506 ( 2.1A)
 1.28A 3hecA-4lr2A:
undetectable		 3hecA-4lr2A:
21.63
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		4 LEU A  86
MET A  30
ILE A 282
ASP A 234
 None
 1.47A 3hecA-4m46A:
undetectable		 3hecA-4m46A:
18.81
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		4 LEU A 150
MET A  90
ILE A 326
ASP A 183
 None
 1.44A 3hecA-4nguA:
undetectable		 3hecA-4nguA:
21.77
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.
4pir VHH15

(Lama glama) 		PF07686
(V-set) 		4 LEU F  47
MET F  87
ILE F  31
ASP F  60
 None
 1.37A 3hecA-4pirF:
undetectable		 3hecA-4pirF:
17.39
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.
4q4a UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU B 558
MET B 538
ILE B 412
ASP B 415
 None
 1.46A 3hecA-4q4aB:
undetectable		 3hecA-4q4aB:
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A2898
MET A2908
ILE A2725
ASP A2794
 None
 1.21A 3hecA-4qyrA:
undetectable		 3hecA-4qyrA:
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		4 LEU A  50
MET A 174
ILE A 443
ASP A  39
 None
 1.08A 3hecA-4tr2A:
undetectable		 3hecA-4tr2A:
18.65
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LEU A   5
MET A 434
ILE A 471
ASP A 459
 None
 1.06A 3hecA-4wn9A:
undetectable		 3hecA-4wn9A:
21.18
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		4 LEU A 101
MET A 107
ILE A 349
ASP A 287
 None
None
None
CA  A 401 (-3.0A)
 1.47A 3hecA-4wr2A:
undetectable		 3hecA-4wr2A:
20.74
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.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		4 LEU A1027
MET A1067
ILE A 999
ASP A1033
 None
 1.38A 3hecA-5fv0A:
undetectable		 3hecA-5fv0A:
22.79
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 4 LEU A 345
MET A 224
ILE A 234
ASP A 230
 None
 1.26A 3hecA-5gqfA:
undetectable		 3hecA-5gqfA:
19.70
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 4 LEU A 221
MET A 254
ILE A  94
ASP A 138
 None
 1.42A 3hecA-5nnbA:
undetectable		 3hecA-5nnbA:
11.08
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.
5oee LARGE SUBUNIT
TERMINASE

(Phage D6E) 		no annotation 4 LEU A 136
MET A  60
ILE A  75
ASP A 142
 None
 1.20A 3hecA-5oeeA:
1.3		 3hecA-5oeeA:
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 LEU A 182
MET A 155
ILE A 235
ASP A 238
 None
None
None
ZN  A 501 (-2.3A)
 1.44A 3hecA-5vemA:
undetectable		 3hecA-5vemA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 LEU A 327
MET A 317
ILE A  72
ASP A  34
 None
None
None
NAD  A 401 (-3.0A)
 1.32A 3hecA-5vmtA:
undetectable		 3hecA-5vmtA:
20.68
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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 264
MET A 164
ILE A 103
ASP A 222
 None
 1.22A 3hecA-5wx4A:
undetectable		 3hecA-5wx4A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 4 LEU A 654
MET A 727
ILE A 638
ASP A 647
 CQ7  A 801 (-4.5A)
None
None
None
 1.40A 3hecA-6b4wA:
22.2		 3hecA-6b4wA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dk2 -

(-) 		no annotation 4 LEU A 392
MET A 313
ILE A 341
ASP A 326
 None
 1.44A 3hecA-6dk2A:
2.2		 3hecA-6dk2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 4 LEU A 194
MET A 189
ILE A 212
ASP A 320
 None
 1.17A 3hecA-6fthA:
undetectable		 3hecA-6fthA:
13.78