SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '631'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 12 THR A  74
ASP A 274
ASP A 364
GLY A 387
MET A 385
 None
None
CPR  A 631 (-2.6A)
CPR  A 631 (-3.7A)
CPR  A 631 (-3.4A)
 1.31A 1d4fC-1jcnA:
undetectable		 1d4fC-1jcnA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ARG A 631
ALA A 564
LYS A 526
GLU A 454
 ARG  A 631 ( 0.6A)
ALA  A 564 ( 0.0A)
LYS  A 526 ( 0.0A)
GLU  A 454 ( 0.6A)
 1.09A 1e7cA-3ig0A:
undetectable		 1e7cA-3ig0A:
17.65
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		 1p0z SENSOR KINASE CITA
(Klebsiella
pneumoniae) 		4 / 8 ARG A 107
SER A 105
VAL A  97
SER A  96
 OMO  A1631 ( 2.9A)
None
None
None
 1.20A 1hwkA-1p0zA:
undetectable		 1hwkA-1p0zA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		 1p0z SENSOR KINASE CITA
(Klebsiella
pneumoniae) 		4 / 8 ARG A 107
SER A 105
VAL A  97
SER A  96
 OMO  A1631 ( 2.9A)
None
None
None
 1.25A 1hwkC-1p0zA:
undetectable		 1hwkC-1p0zA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
GLY A  95
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.59A 1iepA-4jxfA:
20.5		 1iepA-4jxfA:
25.65
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.78A 1jnoA-4mtpA:
undetectable		 1jnoA-4mtpA:
2.68
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.78A 1jnoB-4mtpA:
undetectable		 1jnoB-4mtpA:
2.68
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.95A 1jo4A-4mtpA:
undetectable		 1jo4A-4mtpA:
5.56
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.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.95A 1jo4B-4mtpA:
undetectable		 1jo4B-4mtpA:
5.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		7 / 11 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
GLY A 326
 None
None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
None
 0.60A 1jr1A-1jcnA:
50.3		 1jr1A-1jcnA:
83.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 8 ASP A 274
SER A 276
ASN A 303
ARG A 322
GLY A 326
 None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
 0.34A 1jr1B-1jcnA:
50.3		 1jr1B-1jcnA:
83.46
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.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.83A 1magA-4mtpA:
undetectable		 1magA-4mtpA:
2.68
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.83A 1magB-4mtpA:
undetectable		 1magB-4mtpA:
2.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
GLY A 326
 None
None
None
CPR  A 631 ( 4.5A)
None
 0.35A 1me7A-1jcnA:
40.6		 1me7A-1jcnA:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 10 ASP A 274
SER A 275
SER A 276
ASN A 303
GLY A 326
 None
None
None
CPR  A 631 ( 4.5A)
None
 0.33A 1mehA-1jcnA:
40.6		 1mehA-1jcnA:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		4 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
 None
None
None
CPR  A 631 ( 4.5A)
 0.30A 1meiA-1jcnA:
40.6		 1meiA-1jcnA:
35.29
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.86A 1ng8A-4mtpA:
undetectable		 1ng8A-4mtpA:
2.66
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.86A 1ng8B-4mtpA:
undetectable		 1ng8B-4mtpA:
2.66
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.96A 1nrmA-4mtpA:
undetectable		 1nrmA-4mtpA:
2.68
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.96A 1nrmB-4mtpA:
undetectable		 1nrmB-4mtpA:
2.68
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.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.88A 1nruA-4mtpA:
undetectable		 1nruA-4mtpA:
2.68
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		3 / 3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.88A 1nruB-4mtpA:
undetectable		 1nruB-4mtpA:
2.68
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 11 ALA A 391
VAL A 373
LEU A 377
MET A  70
LEU A  65
 None
None
None
CPR  A 631 ( 3.8A)
None
 1.16A 1rlbF-1jcnA:
0.1		 1rlbF-1jcnA:
14.84
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.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 VAL A  26
ALA A  39
LEU A  73
CYH A  92
LEU A 127
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 (-4.5A)
None
 0.33A 1uwjA-4jxfA:
19.1		 1uwjA-4jxfA:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 VAL A  26
ALA A  39
LEU A  73
CYH A  92
LEU A 127
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 (-4.5A)
None
 0.34A 1uwjB-4jxfA:
19.1		 1uwjB-4jxfA:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 9 LEU A  18
VAL A  26
ALA A  39
MET A  91
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-3.7A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.56A 1xbbA-4jxfA:
18.2		 1xbbA-4jxfA:
27.85
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 9 LEU A  18
VAL A  26
LYS A  41
LEU A  75
LEU A  87
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-2.7A)
None
None
 0.67A 1xkkA-4jxfA:
18.4		 1xkkA-4jxfA:
25.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 LEU I 510
ILE I 468
ASN I 509
ALA I 402
PHE I 403
 None
None
B12  I1631 (-4.2A)
None
None
 1.21A 2ejtA-4c1nI:
undetectable		 2ejtA-4c1nI:
23.15
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.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 10 LEU A 390
GLY A 387
LEU A 389
ILE A 367
LEU A  65
 None
CPR  A 631 (-3.7A)
None
None
None
 1.01A 2f8dA-1jcnA:
0.0		 2f8dA-1jcnA:
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.
2F8D_B_BEZB1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 10 LEU A 390
GLY A 387
LEU A 389
ILE A 367
LEU A  65
 None
CPR  A 631 (-3.7A)
None
None
None
 1.06A 2f8dB-1jcnA:
undetectable		 2f8dB-1jcnA:
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.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN I 381
ILE I 213
ASN I 238
ALA I 296
ASP I 245
 B12  I1631 (-3.9A)
None
None
None
None
 1.39A 2iyfB-4c1nI:
undetectable		 2iyfB-4c1nI:
22.50
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 5j5j DESMOCOLLIN-2,DESMOG
LEIN-2
(Homo
sapiens) 		4 / 6 THR A 501
ASP A 468
ASN A 444
ASP A 443
 None
CA  A 632 (-2.1A)
CA  A 631 ( 4.5A)
CA  A 631 ( 2.7A)
 1.26A 2okcA-5j5jA:
undetectable		 2okcA-5j5jA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 VAL A  26
ALA A  39
LEU A  73
LEU A  89
GLY A  95
ALA A 153
ASP A 154
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-3.4A)
EDO  A 302 (-3.7A)
 0.76A 2wgjA-4jxfA:
13.1		 2wgjA-4jxfA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 9 LEU A  18
VAL A  26
ALA A  39
LEU A  89
GLY A  95
LEU A 143
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
EDO  A 302 (-3.7A)
 0.78A 2xp2A-4jxfA:
19.0		 2xp2A-4jxfA:
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		4 / 7 VAL A 350
ARG A 341
ASN A 303
GLY A 302
 None
None
CPR  A 631 ( 4.5A)
None
 0.92A 2y05A-1jcnA:
undetectable
2y05B-1jcnA:
undetectable		 2y05A-1jcnA:
21.76
2y05B-1jcnA:
21.76
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 VAL A  26
ALA A  39
LYS A  41
LEU A  87
GLY A  95
LEU A 143
PHE A 155
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
None
 0.74A 3bbtD-4jxfA:
19.1		 3bbtD-4jxfA:
25.23
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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN
(Burkholderia
pseudomallei) 		5 / 9 GLN A 241
ALA A 262
ASN A 171
LEU A 208
ILE A 170
 EDO  A1631 (-3.8A)
EDO  A1631 (-3.2A)
EDO  A1631 (-4.4A)
None
None
 1.35A 3claA-4ut1A:
undetectable		 3claA-4ut1A:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 LEU A  18
VAL A  26
LYS A  41
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-2.7A)
EDO  A 302 (-3.7A)
 0.66A 3cs9D-4jxfA:
19.8		 3cs9D-4jxfA:
26.62
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 LEU A  18
VAL A  26
LYS A  41
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-2.7A)
631  A 301 (-4.0A)
 0.50A 3cs9D-4jxfA:
19.8		 3cs9D-4jxfA:
26.62
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 11 LEU A  18
VAL A  26
ALA A  39
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.42A 3g0eA-4jxfA:
17.6		 3g0eA-4jxfA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 11 LEU A  18
VAL A  26
ALA A  39
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.47A 3g0fA-4jxfA:
18.1		 3g0fA-4jxfA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 10 LEU A  18
VAL A  26
ALA A  39
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.42A 3g0fB-4jxfA:
18.4		 3g0fB-4jxfA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans
;
Carboxydothermus
hydrogenoformans) 		5 / 12 GLY I 400
LEU A 373
GLU I 404
ALA I 402
ASN I 509
 B12  I1631 ( 3.8A)
B12  I1631 (-4.1A)
None
None
B12  I1631 (-4.2A)
 1.14A 3kkzA-4c1nI:
undetectable		 3kkzA-4c1nI:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
GLY A  95
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.54A 3ms9B-4jxfA:
20.3		 3ms9B-4jxfA:
25.65
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
GLY A  95
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.55A 3mssB-4jxfA:
20.5		 3mssB-4jxfA:
25.65
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 VAL A  26
ALA A  39
LYS A  41
LEU A  73
CYH A  92
PHE A 155
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 (-4.5A)
None
 0.86A 3og7A-4jxfA:
19.5		 3og7A-4jxfA:
26.01
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
LEU A  87
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.75A 3ug2A-4jxfA:
17.9		 3ug2A-4jxfA:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
CYH A  92
GLY A  95
PHE A 155
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
None
 0.29A 3wzdA-4jxfA:
19.8		 3wzdA-4jxfA:
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 ALA A  39
LEU A  73
LEU A  89
GLY A  95
LEU A 143
 631  A 301 (-3.3A)
None
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.40A 3zbfA-4jxfA:
19.9		 3zbfA-4jxfA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		6 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
 None
None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
 0.19A 4af0A-1jcnA:
48.6		 4af0A-1jcnA:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		6 / 10 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
 None
None
None
CPR  A 631 ( 4.5A)
CPR  A 631 (-4.0A)
None
 0.18A 4af0B-1jcnA:
48.6		 4af0B-1jcnA:
56.96
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.53A 4agcA-4jxfA:
8.5		 4agcA-4jxfA:
23.76
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 11 LEU A  18
ALA A  39
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.38A 4agdA-4jxfA:
18.1		 4agdA-4jxfA:
23.76
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		8 / 9 LEU A  18
VAL A  26
ALA A  39
LEU A  89
GLY A  95
LEU A 143
ALA A 153
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
EDO  A 302 (-3.7A)
 0.75A 4anqA-4jxfA:
18.8		 4anqA-4jxfA:
23.60
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 9 LEU A  18
VAL A  26
ALA A  39
GLY A  95
LEU A 143
ALA A 153
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
EDO  A 302 (-3.7A)
 0.67A 4ansA-4jxfA:
18.8		 4ansA-4jxfA:
23.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		4 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
 None
None
None
CPR  A 631 ( 4.5A)
 0.79A 4fo4A-1jcnA:
40.2		 4fo4A-1jcnA:
32.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		4 / 8 SER A 275
SER A 276
ASN A 303
GLY A 326
 None
None
CPR  A 631 ( 4.5A)
None
 0.50A 4fo4B-1jcnA:
39.9		 4fo4B-1jcnA:
32.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 9 SER A 275
SER A 276
ASN A 303
GLY A 326
ASP A 364
 None
None
CPR  A 631 ( 4.5A)
None
CPR  A 631 (-2.6A)
 0.54A 4fxsA-1jcnA:
41.9		 4fxsA-1jcnA:
38.96
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
LEU A  89
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.58A 4mkcA-4jxfA:
18.9		 4mkcA-4jxfA:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 VAL A  26
ALA A  39
LEU A  73
LEU A 143
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 (-4.0A)
 0.41A 4o0uA-4jxfA:
10.8		 4o0uA-4jxfA:
34.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 VAL A  26
ALA A  39
LYS A  41
LEU A  73
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
 0.69A 4o0uA-4jxfA:
10.8		 4o0uA-4jxfA:
34.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLU I 404
GLY I 405
CYH I 445
ALA I 402
ASN I 509
 None
None
None
None
B12  I1631 (-4.2A)
 1.43A 4pclB-4c1nI:
undetectable		 4pclB-4c1nI:
18.11
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.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 1p0z SENSOR KINASE CITA
(Klebsiella
pneumoniae) 		3 / 3 SER A 105
TYR A  56
ASP A  83
 None
FLC  A1632 (-3.8A)
OMO  A1631 (-3.9A)
 0.83A 4rp8C-1p0zA:
0.0		 4rp8C-1p0zA:
12.82
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 VAL A  26
ALA A  39
LEU A  73
CYH A  92
PHE A 155
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 (-4.5A)
None
 0.71A 4rzvB-4jxfA:
19.0		 4rzvB-4jxfA:
27.18
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 VAL A  26
ALA A  39
LYS A  41
LEU A  73
CYH A  92
 631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 (-4.5A)
 0.75A 4rzvB-4jxfA:
19.0		 4rzvB-4jxfA:
27.18
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.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 LEU A  18
VAL A  26
ILE A  72
ILE A 152
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
None
None
 0.43A 4tyjA-4jxfA:
19.3		 4tyjA-4jxfA:
26.35
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.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		4 / 6 VAL A  26
LYS A  41
ILE A  72
ILE A 152
 631  A 301 (-4.6A)
631  A 301 (-2.7A)
None
None
 0.58A 4tyjA-4jxfA:
19.3		 4tyjA-4jxfA:
26.35
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 9 LEU A  18
VAL A  26
ALA A  39
GLY A  95
LEU A 143
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
EDO  A 302 (-3.7A)
 0.59A 4u5jB-4jxfA:
11.2		 4u5jB-4jxfA:
29.80
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		5 / 12 LEU A  18
ALA A  39
LEU A 127
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-3.3A)
None
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.49A 4uxqA-4jxfA:
19.0		 4uxqA-4jxfA:
26.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLY A 428
ILE I 251
GLY A 379
THR A 382
LEU A 413
 B12  I1631 ( 4.0A)
None
None
None
None
 1.18A 4zdyA-4c1nA:
undetectable		 4zdyA-4c1nA:
21.76
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.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 9 LEU A  18
VAL A  26
ALA A  39
LEU A  89
GLY A  95
LEU A 143
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
EDO  A 302 (-3.7A)
 0.83A 5aaaA-4jxfA:
19.0		 5aaaA-4jxfA:
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 10 LEU A  18
VAL A  26
ALA A  39
LYS A  41
LEU A  89
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.65A 5aabA-4jxfA:
18.9		 5aabA-4jxfA:
24.92
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 10 LEU A  18
VAL A  26
ALA A  39
LEU A  89
GLY A  95
LEU A 143
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
EDO  A 302 (-3.7A)
 0.76A 5aacA-4jxfA:
19.1		 5aacA-4jxfA:
24.92
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 10 LEU A  18
VAL A  26
ALA A  39
LYS A  41
LEU A  89
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 ( 4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.65A 5aacA-4jxfA:
19.1		 5aacA-4jxfA:
24.92
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
ALA A  39
LYS A  41
CYH A  92
GLY A  95
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.70A 5ajqA-4jxfA:
21.4		 5ajqA-4jxfA:
28.47
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
GLY A  19
ALA A  39
CYH A  92
GLY A  95
LEU A 143
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-3.6A)
631  A 301 (-3.3A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
 0.72A 5ajqA-4jxfA:
21.4		 5ajqA-4jxfA:
28.47
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
GLY A  19
CYH A  92
GLY A  95
LEU A 143
ALA A 153
ASP A 154
 631  A 301 (-3.4A)
631  A 301 (-3.6A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
631  A 301 (-3.4A)
EDO  A 302 (-3.7A)
 0.92A 5ajqA-4jxfA:
21.4		 5ajqA-4jxfA:
28.47
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 1lla HEMOCYANIN (SUBUNIT
TYPE II)
(Limulus
polyphemus) 		4 / 6 ASP A 578
PRO A 110
TYR A 107
LEU A 520
 NA  A 631 (-3.6A)
None
None
None
 1.28A 5bmvB-1llaA:
undetectable		 5bmvB-1llaA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
LEU A  73
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
None
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.81A 5h2uA-4jxfA:
13.4		 5h2uA-4jxfA:
31.14
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.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I
(Homo
sapiens) 		5 / 11 LEU A 389
ILE A 367
GLY A 366
GLY A 328
LEU A 390
 None
None
CPR  A 631 (-3.8A)
CPR  A 631 (-3.0A)
None
 0.86A 5twjD-1jcnA:
undetectable		 5twjD-1jcnA:
15.20
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.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		6 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
LEU A  87
CYH A  92
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 (-4.5A)
 0.68A 5vcyA-4jxfA:
18.4		 5vcyA-4jxfA:
22.60
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.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 3jru PROBABLE CYTOSOL
AMINOPEPTIDASE
(Xanthomonas
oryzae) 		5 / 12 GLY B 288
GLY B 261
VAL B 311
ALA B 464
ASP B 285
 None
None
None
None
ZN  B 631 (-2.8A)
 1.16A 5x7fA-3jruB:
2.0		 5x7fA-3jruB:
24.63
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 ARG A  28
LEU A  18
VAL A  26
LYS A  41
CYH A  92
GLY A  95
LEU A 143
 631  A 301 ( 4.7A)
631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 1.03A 5y7zA-4jxfA:
18.6		 5y7zA-4jxfA:
12.92
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 ARG A  28
LEU A  18
VAL A  26
LYS A  41
CYH A  92
GLY A  95
LEU A 143
 631  A 301 ( 4.7A)
631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 1.03A 5y7zA-4jxfA:
18.6		 5y7zA-4jxfA:
28.89
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.72A 5y7zA-4jxfA:
18.6		 5y7zA-4jxfA:
12.92
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.72A 5y7zA-4jxfA:
18.6		 5y7zA-4jxfA:
28.89
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
ALA A  39
LYS A  41
LEU A  87
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
None
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.77A 5y7zB-4jxfA:
10.9		 5y7zB-4jxfA:
12.92
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
VAL A  26
ALA A  39
LYS A  41
CYH A  92
GLY A  95
LEU A 143
 631  A 301 (-3.4A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 (-4.5A)
631  A 301 ( 3.7A)
631  A 301 (-4.0A)
 0.53A 5y80A-4jxfA:
18.8		 5y80A-4jxfA:
12.92
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4jxf SERINE/THREONINE-PRO
TEIN KINASE PLK4
(Homo
sapiens) 		7 / 12 LEU A  18
GLY A  19
VAL A  26
ALA A  39
LYS A  41
GLY A  95
ALA A 153
 631  A 301 (-3.4A)
631  A 301 (-3.6A)
631  A 301 (-4.6A)
631  A 301 (-3.3A)
631  A 301 (-2.7A)
631  A 301 ( 3.7A)
631  A 301 (-3.4A)
 0.80A 5zv2B-4jxfA:
20.2		 5zv2B-4jxfA:
14.86
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 6 GLY A   7
THR A  40
GLN A  98
TYR A 100
TYR A 363
 GLC  A 632 (-3.6A)
GLC  A 631 (-3.8A)
GLC  A 631 (-3.4A)
None
GLC  A 632 (-3.8A)
 0.32A 6ag0A-2d3lA:
55.4		 6ag0A-2d3lA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE
(Bacillus
sp.
707) 		5 / 6 GLY A   7
THR A  40
GLN A  98
TYR A 100
TYR A 363
 GLC  A 632 (-3.6A)
GLC  A 631 (-3.8A)
GLC  A 631 (-3.4A)
None
GLC  A 632 (-3.8A)
 0.29A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		3 / 3 ILE I 313
ASN I 381
CYH I 395
 None
B12  I1631 (-3.9A)
None
 0.80A 6bp4A-4c1nI:
undetectable		 6bp4A-4c1nI:
20.94
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.
6GBN_C_ADNC501_2
(-)		 1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Pseudomonas
fluorescens) 		4 / 5 GLN A 232
THR A 163
HIS A 240
GLY A 317
 None
ACT  A 631 ( 4.9A)
FE2  A 629 (-3.3A)
None
 1.22A 6gbnC-1cjxA:
undetectable		 6gbnC-1cjxA:
21.41