SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXZ_A_0LIA1_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgf CATALASE

(Homo sapiens) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 316
TYR A 236
VAL A 230
ILE A  91
LEU A 145
 None
 1.40A 3oxzA-1dgfA:
0.0		 3oxzA-1dgfA:
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 263
ILE A 274
ARG A 110
LEU A 119
VAL A 117
 None
 1.41A 3oxzA-1i41A:
0.0		 3oxzA-1i41A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 408
LYS A 430
ILE A 472
LEU A 528
VAL A 537
 None
 1.00A 3oxzA-1k2pA:
28.6		 3oxzA-1k2pA:
45.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 VAL A 239
ILE A 264
MET A 269
LEU A 321
VAL A 330
 None
 0.51A 3oxzA-1k9aA:
31.3		 3oxzA-1k9aA:
31.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 LEU B 208
VAL B  97
ILE B 102
MET B 200
VAL B 182
 None
 1.48A 3oxzA-1mabB:
undetectable		 3oxzA-1mabB:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		7 LEU A 267
LYS A 290
VAL A 308
ILE A 332
MET A 337
LEU A 389
VAL A 398
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
None
P16  A   2 (-4.1A)
None
P16  A   2 (-4.4A)
None
 0.50A 3oxzA-1opkA:
34.6		 3oxzA-1opkA:
57.64
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.
1t17 CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF03364
(Polyketide_cyc) 		5 LEU A 123
VAL A  24
ILE A  34
ARG A  71
VAL A 109
 None
 1.46A 3oxzA-1t17A:
undetectable		 3oxzA-1t17A:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 595
LYS A 623
VAL A 643
ARG A 791
LEU A 799
 STI  A   3 ( 3.8A)
STI  A   3 (-3.7A)
None
None
STI  A   3 (-4.4A)
 0.89A 3oxzA-1t46A:
33.1		 3oxzA-1t46A:
36.28
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.
1u2v ACTIN-RELATED
PROTEIN 2
ACTIN-RELATED
PROTEIN 3

(Bos taurus) 		PF00022
(Actin) 		5 LEU B 197
TYR B 202
VAL A 303
ILE A 186
LEU B 246
 None
 1.49A 3oxzA-1u2vB:
undetectable		 3oxzA-1u2vB:
23.83
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.
1vrn PHOTOSYNTHETIC
REACTION CENTER
CYTOCHROME C SUBUNIT

(Blastochloris
viridis) 		PF02276
(CytoC_RC) 		5 TYR C 133
VAL C 274
ILE C 117
ARG C 146
LEU C 316
 None
HEM  C 404 ( 4.9A)
HEM  C 404 ( 4.8A)
None
None
 1.29A 3oxzA-1vrnC:
undetectable		 3oxzA-1vrnC:
23.55
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 LEU A 114
VAL A  82
ILE A  91
ARG A  38
VAL A 158
 None
 1.35A 3oxzA-1xi3A:
undetectable		 3oxzA-1xi3A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bk9 CG9734-PA

(Drosophila
melanogaster) 		PF00042
(Globin) 		5 LEU A 134
VAL A 101
ILE A 142
LEU A 114
VAL A 112
 CXS  A1155 ( 4.1A)
HEM  A1154 ( 3.8A)
None
None
None
 1.45A 3oxzA-2bk9A:
undetectable		 3oxzA-2bk9A:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU X  17
LYS X  39
ILE X  80
MET X  85
ARG X 129
LEU X 137
 STU  X 902 (-3.8A)
STU  X 902 (-3.1A)
None
None
PTR  X 160 ( 3.4A)
STU  X 902 (-4.4A)
 0.87A 3oxzA-2dq7X:
32.5		 3oxzA-2dq7X:
44.83
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A 162
LYS A 186
VAL A 204
ILE A 234
LEU A 290
VAL A 318
 None
 0.87A 3oxzA-2eu9A:
21.3		 3oxzA-2eu9A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 LEU A  19
ILE A  91
MET A  96
ARG A 136
LEU A 144
VAL A 153
 ADP  A 500 (-4.3A)
None
None
None
ADP  A 500 (-4.3A)
None
 0.81A 3oxzA-2f9gA:
14.4		 3oxzA-2f9gA:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A  19
MET A  96
ARG A  58
LEU A 144
VAL A 153
 ADP  A 500 (-4.3A)
None
None
ADP  A 500 (-4.3A)
None
 1.00A 3oxzA-2f9gA:
14.4		 3oxzA-2f9gA:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		5 LEU A 418
VAL A 479
ILE A 270
LEU A 408
VAL A 405
 None
 1.42A 3oxzA-2gwcA:
undetectable		 3oxzA-2gwcA:
21.20
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 273
ILE A 336
MET A 341
LEU A 393
VAL A 402
 H8H  A 534 (-3.8A)
H8H  A 534 ( 4.5A)
None
H8H  A 534 (-4.5A)
None
 0.55A 3oxzA-2h8hA:
30.8		 3oxzA-2h8hA:
27.32
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 273
MET A 341
ARG A 385
LEU A 393
VAL A 402
 H8H  A 534 (-3.8A)
None
None
H8H  A 534 (-4.5A)
None
 0.46A 3oxzA-2h8hA:
30.8		 3oxzA-2h8hA:
27.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 273
LYS A 295
ILE A 336
MET A 341
LEU A 393
 QUE  A   1 (-3.9A)
None
None
None
QUE  A   1 (-4.4A)
 0.76A 3oxzA-2hckA:
30.1		 3oxzA-2hckA:
32.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 251
LYS A 273
VAL A 291
ILE A 314
MET A 319
LEU A 371
 1BM  A 499 ( 3.7A)
1BM  A 499 (-3.8A)
None
1BM  A 499 (-3.9A)
None
1BM  A 499 (-4.4A)
 0.76A 3oxzA-2hk5A:
27.3		 3oxzA-2hk5A:
46.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 248
LYS A 271
VAL A 289
ILE A 313
ARG A 362
LEU A 370
 GIN  A 600 ( 4.6A)
GIN  A 600 (-3.6A)
None
GIN  A 600 (-3.8A)
None
GIN  A 600 (-4.7A)
 1.07A 3oxzA-2hz0A:
34.3		 3oxzA-2hz0A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 248
VAL A 289
ILE A 313
MET A 318
ARG A 362
LEU A 370
VAL A 379
 GIN  A 600 ( 4.6A)
None
GIN  A 600 (-3.8A)
None
None
GIN  A 600 (-4.7A)
GIN  A 600 (-4.5A)
 0.76A 3oxzA-2hz0A:
34.3		 3oxzA-2hz0A:
99.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2icf V-SET AND
IMMUNOGLOBULIN
DOMAIN-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF07686
(V-set) 		5 LEU S 114
TYR S  92
ARG S 108
LEU S  79
VAL S  77
 None
 1.41A 3oxzA-2icfS:
undetectable		 3oxzA-2icfS:
18.86
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.
2l4q THIOREDOXIN

(Mycobacterium
tuberculosis) 		PF00085
(Thioredoxin) 		5 LEU A 105
VAL A  77
ILE A  95
LEU A  58
VAL A  28
 None
 1.46A 3oxzA-2l4qA:
undetectable		 3oxzA-2l4qA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 251
ILE A 314
MET A 319
ARG A 363
LEU A 371
 None
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
1N8  A 501 ( 4.3A)
 0.82A 3oxzA-2og8A:
32.1		 3oxzA-2og8A:
45.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 251
LYS A 273
ILE A 314
ARG A 363
LEU A 371
 None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 4.6A)
None
1N8  A 501 ( 4.3A)
 1.04A 3oxzA-2og8A:
32.1		 3oxzA-2og8A:
45.94
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU X  70
LYS X  93
ILE X 136
ARG X 185
LEU X 193
 F10  X 401 (-3.9A)
F10  X 401 (-4.3A)
None
None
F10  X 401 ( 4.4A)
 1.28A 3oxzA-2p3gX:
17.9		 3oxzA-2p3gX:
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		5 LEU A  25
LYS A  48
MET A 106
ARG A 148
LEU A 156
 ATP  A 381 ( 4.3A)
ATP  A 381 (-3.2A)
None
None
ATP  A 381 ( 4.8A)
 1.01A 3oxzA-2phkA:
21.8		 3oxzA-2phkA:
29.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 ILE A 751
MET A 756
ARG A 799
LEU A 807
VAL A 816
 None
None
SO4  A   1 ( 3.1A)
None
None
 0.78A 3oxzA-2r2pA:
26.4		 3oxzA-2r2pA:
37.33
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		5 LEU A 155
TYR A 159
ILE A 164
MET A 104
VAL A 340
 None
 1.44A 3oxzA-2vhhA:
undetectable		 3oxzA-2vhhA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xk9 CHECKPOINT KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 226
ILE A 299
MET A 304
LEU A 354
VAL A 353
 XK9  A1511 (-3.8A)
XK9  A1511 ( 4.9A)
None
XK9  A1511 (-4.6A)
None
 1.43A 3oxzA-2xk9A:
20.6		 3oxzA-2xk9A:
27.33
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.
2xk9 CHECKPOINT KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 226
LYS A 249
ILE A 299
MET A 304
VAL A 353
 XK9  A1511 (-3.8A)
XK9  A1511 (-4.2A)
XK9  A1511 ( 4.9A)
None
None
 1.16A 3oxzA-2xk9A:
20.6		 3oxzA-2xk9A:
27.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 ILE A 697
MET A 702
ARG A 745
LEU A 753
VAL A 762
 Q9G  A1898 ( 4.6A)
None
None
Q9G  A1898 (-4.3A)
None
 0.76A 3oxzA-2xyuA:
27.1		 3oxzA-2xyuA:
38.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 LYS A 653
ILE A 697
MET A 702
LEU A 753
VAL A 762
 Q9G  A1898 (-4.8A)
Q9G  A1898 ( 4.6A)
None
Q9G  A1898 (-4.3A)
None
 0.39A 3oxzA-2xyuA:
27.1		 3oxzA-2xyuA:
38.14
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 134
ILE A 116
ARG A 231
LEU A 206
VAL A 207
 None
 1.32A 3oxzA-2z1qA:
undetectable		 3oxzA-2z1qA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 LEU A 253
ILE A 317
MET A 322
LEU A 374
VAL A 373
 None
 1.44A 3oxzA-2zv7A:
26.2		 3oxzA-2zv7A:
46.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 239
ILE A 264
MET A 269
LEU A 321
VAL A 330
 None
 0.51A 3oxzA-3d7uA:
26.9		 3oxzA-3d7uA:
44.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 ILE A 709
MET A 714
ARG A 757
LEU A 765
VAL A 774
 None
None
None
IHZ  A1001 (-4.6A)
IHZ  A1001 ( 4.7A)
 0.70A 3oxzA-3dkoA:
30.9		 3oxzA-3dkoA:
37.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 LYS A 665
ILE A 709
MET A 714
LEU A 765
VAL A 774
 IHZ  A1001 ( 4.5A)
None
None
IHZ  A1001 (-4.6A)
IHZ  A1001 ( 4.7A)
 0.56A 3oxzA-3dkoA:
30.9		 3oxzA-3dkoA:
37.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 LEU A 179
TYR A 251
VAL A 172
ILE A 175
LEU A 101
 None
 1.41A 3oxzA-3egeA:
undetectable		 3oxzA-3egeA:
21.12
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.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  59
LYS A  82
ILE A 127
MET A 132
LEU A 186
 STU  A   1 (-3.8A)
STU  A   1 ( 4.2A)
None
None
STU  A   1 (-4.4A)
 0.50A 3oxzA-3fmeA:
17.3		 3oxzA-3fmeA:
27.33
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 LEU A 226
ILE A 299
MET A 304
ARG A 346
LEU A 354
 None
 0.93A 3oxzA-3i6uA:
20.8		 3oxzA-3i6uA:
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A  82
LYS A 105
ILE A 150
ARG A 197
LEU A 205
 ANP  A 610 ( 4.5A)
ANP  A 610 (-2.8A)
None
None
None
 1.22A 3oxzA-3igoA:
19.5		 3oxzA-3igoA:
21.65
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		5 LEU A 362
TYR A 288
VAL A 230
ILE A 253
LEU A  47
 None
 1.29A 3oxzA-3kl0A:
undetectable		 3oxzA-3kl0A:
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 680
LYS A 702
ILE A 743
ARG A 796
VAL A 728
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
None
 1.23A 3oxzA-3lj0A:
21.5		 3oxzA-3lj0A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		5 LEU A 126
VAL A 228
ILE A 202
LEU A 109
VAL A 140
 EDO  A 273 (-4.0A)
None
EDO  A 271 ( 4.7A)
None
None
 1.06A 3oxzA-3llcA:
undetectable		 3oxzA-3llcA:
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.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS) 		5 LEU A 287
TYR A 290
MET A 301
LEU A 296
VAL A 415
 None
 1.44A 3oxzA-3mdyA:
25.4		 3oxzA-3mdyA:
27.65
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.
3nbk PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 LEU A  99
VAL A  33
ILE A  85
ARG A  50
LEU A  89
 None
 1.29A 3oxzA-3nbkA:
undetectable		 3oxzA-3nbkA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 LYS A  40
MET A  93
ARG A  57
LEU A 141
VAL A 150
 None
 1.47A 3oxzA-3oz6A:
20.8		 3oxzA-3oz6A:
24.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 LYS A 578
ILE A 623
ARG A 675
LEU A 683
VAL A 692
 STU  A   1 (-3.5A)
None
SEP  A 710 ( 3.6A)
STU  A   1 (-4.3A)
None
 0.76A 3oxzA-3ppzA:
28.8		 3oxzA-3ppzA:
33.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s95 LIM DOMAIN KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 345
LYS A 368
VAL A 387
ARG A 459
LEU A 467
VAL A 476
 STU  A   1 (-3.8A)
STU  A   1 (-3.1A)
None
None
STU  A   1 (-4.6A)
None
 1.04A 3oxzA-3s95A:
25.0		 3oxzA-3s95A:
30.65
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  50
LYS A  73
ILE A 116
ARG A 165
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
None
 0.82A 3oxzA-3sheA:
18.9		 3oxzA-3sheA:
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.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  59
LYS A  82
ILE A 127
MET A 132
LEU A 186
 None
ANK  A 401 (-2.4A)
None
None
ANK  A 401 ( 4.9A)
 0.98A 3oxzA-3vn9A:
8.3		 3oxzA-3vn9A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  59
LYS A  82
ILE A 127
MET A 132
VAL A 185
 None
ANK  A 401 (-2.4A)
None
None
None
 0.96A 3oxzA-3vn9A:
8.3		 3oxzA-3vn9A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3waz PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
abyssi) 		PF09522
(RE_R_Pab1) 		5 LEU A 141
VAL A 187
ILE A  62
MET A 197
VAL A  19
 None
 1.41A 3oxzA-3wazA:
undetectable		 3oxzA-3wazA:
24.41
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 127
VAL A 189
ARG A 168
LEU A 259
VAL A 308
 None
 1.39A 3oxzA-3wgkA:
undetectable		 3oxzA-3wgkA:
22.08
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  75
VAL A 212
ILE A 142
MET A 147
LEU A 198
 ANP  A 401 (-3.8A)
CHU  A 403 ( 4.0A)
CHU  A 403 (-3.8A)
None
ANP  A 401 (-4.8A)
 1.18A 3oxzA-3wigA:
15.3		 3oxzA-3wigA:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A1951
LYS A1980
ILE A2024
MET A2029
LEU A2086
 VGH  A3000 ( 4.4A)
VGH  A3000 ( 4.7A)
None
None
VGH  A3000 (-4.3A)
 0.79A 3oxzA-3zbfA:
31.1		 3oxzA-3zbfA:
40.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 167
MET A 172
ARG A 215
LEU A 223
VAL A 232
 None
None
None
30K  A1365 (-4.5A)
None
 0.73A 3oxzA-4aw5A:
26.8		 3oxzA-4aw5A:
39.52
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  68
LYS A  91
ILE A 137
ARG A 184
VAL A 201
 9ZP  A1333 (-3.9A)
None
None
None
None
 1.01A 3oxzA-4b6lA:
22.8		 3oxzA-4b6lA:
25.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 616
LYS A 655
MET A 704
ARG A 765
LEU A 773
 None
DI1  A1000 (-3.9A)
None
None
DI1  A1000 (-4.5A)
 0.89A 3oxzA-4ckrA:
30.9		 3oxzA-4ckrA:
36.89
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.
4dag FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		5 LEU A  24
TYR A  23
VAL A 430
ILE A 285
VAL A 373
 None
 1.47A 3oxzA-4dagA:
undetectable		 3oxzA-4dagA:
21.90
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 VAL A 134
ILE A  79
ARG A 128
LEU A  71
VAL A  69
 None
 1.47A 3oxzA-4inaA:
undetectable		 3oxzA-4inaA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 273
ILE A 336
MET A 341
LEU A 393
VAL A 402
 0J9  A 601 (-4.0A)
0J9  A 601 (-4.4A)
None
0J9  A 601 (-4.5A)
None
 0.71A 3oxzA-4k11A:
30.6		 3oxzA-4k11A:
34.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		6 LEU A 273
LYS A 295
VAL A 313
ILE A 336
ARG A 385
VAL A 402
 VGG  A 601 (-3.2A)
VGG  A 601 (-3.8A)
None
VGG  A 601 (-4.2A)
None
None
 1.25A 3oxzA-4lggA:
30.3		 3oxzA-4lggA:
46.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		7 LEU A 273
VAL A 313
ILE A 336
MET A 341
ARG A 385
LEU A 393
VAL A 402
 VGG  A 601 (-3.2A)
None
VGG  A 601 (-4.2A)
None
None
VGG  A 601 (-4.5A)
None
 1.08A 3oxzA-4lggA:
30.3		 3oxzA-4lggA:
46.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0n PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 LEU A  99
VAL A  33
ILE A  85
ARG A  50
LEU A  89
 None
 1.39A 3oxzA-4r0nA:
undetectable		 3oxzA-4r0nA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7z CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF00493
(MCM) 		5 VAL A 798
ILE A 300
ARG A 828
LEU A 835
VAL A 327
 None
 1.48A 3oxzA-4r7zA:
undetectable		 3oxzA-4r7zA:
19.42
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.
4s3m 2-DEHYDROPANTOATE
2-REDUCTASE

(Staphylococcus
aureus) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A   3
VAL A  70
ILE A   7
LEU A  91
VAL A 110
 None
NAP  A 500 ( 4.5A)
None
None
None
 1.31A 3oxzA-4s3mA:
undetectable		 3oxzA-4s3mA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		6 LEU A  14
ILE A  79
MET A  84
ARG A 128
LEU A 136
VAL A 145
 ACP  A1264 ( 4.5A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.86A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		6 LEU A  14
LYS A  37
ILE A  79
ARG A 128
LEU A 136
VAL A 145
 ACP  A1264 ( 4.5A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.99A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 188
VAL A 113
ILE A  84
ARG A 104
VAL A 312
 None
None
None
SO4  A 402 (-3.7A)
None
 1.45A 3oxzA-4wy5A:
undetectable		 3oxzA-4wy5A:
23.68
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 723
TYR A 726
VAL A 700
ILE A 707
VAL A 678
 None
 1.47A 3oxzA-4wz9A:
undetectable		 3oxzA-4wz9A:
14.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 5 LEU B 267
LYS B 290
VAL B 308
ILE B 332
VAL B 398
 1N1  B 601 (-3.7A)
1N1  B 601 (-4.6A)
None
1N1  B 601 (-4.1A)
None
 0.84A 3oxzA-4xeyB:
30.8		 3oxzA-4xeyB:
93.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 6 LEU B 267
VAL B 308
ILE B 332
MET B 337
LEU B 389
VAL B 398
 1N1  B 601 (-3.7A)
None
1N1  B 601 (-4.1A)
None
1N1  B 601 (-4.3A)
None
 0.50A 3oxzA-4xeyB:
30.8		 3oxzA-4xeyB:
93.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ILE A 472
MET A 477
ARG A 520
LEU A 528
VAL A 537
 None
 1.16A 3oxzA-4xi2A:
29.7		 3oxzA-4xi2A:
38.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 408
ILE A 472
MET A 477
LEU A 528
VAL A 537
 None
 1.15A 3oxzA-4xi2A:
29.7		 3oxzA-4xi2A:
38.33
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.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		5 LEU A 408
ILE A 472
MET A 477
LEU A 528
VAL A 537
 746  A 702 (-3.8A)
None
None
746  A 702 (-4.4A)
None
 0.61A 3oxzA-4y93A:
30.6		 3oxzA-4y93A:
29.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  33
VAL A 540
ILE A 273
ARG A 559
VAL A  19
 None
 1.44A 3oxzA-4ynuA:
undetectable		 3oxzA-4ynuA:
19.10
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 LEU A 352
VAL A 180
ILE A   9
ARG A 184
LEU A 367
 None
FAD  A 401 (-4.0A)
None
None
None
 1.32A 3oxzA-4yshA:
undetectable		 3oxzA-4yshA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 599
LYS A 627
ILE A 672
ARG A 817
LEU A 825
 748  A1001 (-3.8A)
748  A1001 (-4.0A)
748  A1001 (-3.9A)
None
748  A1001 (-4.3A)
 0.83A 3oxzA-5grnA:
27.6		 3oxzA-5grnA:
34.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  57
LYS A  79
ILE A 128
ARG A 179
LEU A 187
 IDV  A 401 (-3.8A)
IDV  A 401 ( 4.8A)
None
None
IDV  A 401 (-4.4A)
 1.05A 3oxzA-5i3oA:
22.2		 3oxzA-5i3oA:
23.68
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.
5ido 3' TERMINAL URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 TYR A 524
LYS A 505
ILE A 502
LEU A 487
VAL A 300
 UTP  A 701 (-4.2A)
UTP  A 701 (-3.0A)
None
None
None
 1.47A 3oxzA-5idoA:
undetectable		 3oxzA-5idoA:
19.35
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 322
VAL A 402
ILE A 433
MET A 306
LEU A 301
 None
 1.18A 3oxzA-5jcfA:
undetectable		 3oxzA-5jcfA:
17.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l6o EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LYS A 665
ILE A 709
MET A 714
ARG A 757
LEU A 765
VAL A 774
 None
6P6  A1001 ( 4.5A)
None
None
6P6  A1001 (-4.5A)
DIO  A1002 (-4.9A)
 0.98A 3oxzA-5l6oA:
31.6		 3oxzA-5l6oA:
37.79
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.
5of3 DNA PRIMASE LARGE
SUBUNIT PRIL

(Sulfolobus
solfataricus) 		no annotation 5 LEU B  14
TYR B  68
ILE B  76
ARG B  85
VAL B 188
 None
 1.45A 3oxzA-5of3B:
undetectable		 3oxzA-5of3B:
11.83
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 5 LEU A 686
LYS A 709
ILE A 752
ARG A 802
LEU A 810
 9E1  A1001 (-3.7A)
9E1  A1001 (-2.8A)
None
None
9E1  A1001 (-4.5A)
 1.05A 3oxzA-5vilA:
19.3		 3oxzA-5vilA:
15.49
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.
5x4s SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF16451
(Spike_NTD) 		5 LEU A  60
TYR A  88
ILE A  81
ARG A  99
LEU A 209
 None
 1.46A 3oxzA-5x4sA:
undetectable		 3oxzA-5x4sA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 LEU A 149
ILE A 121
ARG A 659
LEU A  68
VAL A 103
 None
None
GOL  A 803 (-4.1A)
None
None
 1.42A 3oxzA-5yfbA:
undetectable		 3oxzA-5yfbA:
15.16
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 ILE A 262
MET A 267
ARG A 311
LEU A 319
VAL A 328
 None
None
None
FKY  A9001 ( 4.9A)
FKY  A9001 (-4.7A)
 1.31A 3oxzA-6cz4A:
21.7		 3oxzA-6cz4A:
18.49
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 LEU A 197
ILE A 262
MET A 267
LEU A 319
VAL A 328
 FKY  A9001 (-4.1A)
None
None
FKY  A9001 ( 4.9A)
FKY  A9001 (-4.7A)
 1.10A 3oxzA-6cz4A:
21.7		 3oxzA-6cz4A:
18.49
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.
6cz4 PROTEIN-TYROSINE
KINASE 6

(Homo sapiens) 		no annotation 5 LEU A 197
LYS A 219
ILE A 262
MET A 267
LEU A 319
 FKY  A9001 (-4.1A)
None
None
None
FKY  A9001 ( 4.9A)
 1.13A 3oxzA-6cz4A:
21.7		 3oxzA-6cz4A:
18.49
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 5 LEU A 169
LYS A 193
VAL A 211
ILE A 241
LEU A 246
 3NG  A 501 (-3.9A)
3NG  A 501 (-3.0A)
None
None
3NG  A 501 (-4.2A)
 1.04A 3oxzA-6fylA:
21.7		 3oxzA-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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 6 LEU A 169
LYS A 193
VAL A 211
ILE A 241
LEU A 297
VAL A 325
 3NG  A 501 (-3.9A)
3NG  A 501 (-3.0A)
None
None
None
None
 0.96A 3oxzA-6fylA:
21.7		 3oxzA-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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 5 LEU A 167
LYS A 191
VAL A 209
ILE A 239
LEU A 295
 EAQ  A 501 (-3.9A)
EAQ  A 501 (-3.2A)
None
None
EAQ  A 501 (-4.9A)
 0.90A 3oxzA-6fyoA:
21.6		 3oxzA-6fyoA:
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 5 LEU A 167
VAL A 209
ILE A 239
LEU A 295
VAL A 323
 EAQ  A 501 (-3.9A)
None
None
EAQ  A 501 (-4.9A)
None
 0.93A 3oxzA-6fyoA:
21.6		 3oxzA-6fyoA:
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 LEU A 167
LYS A 191
VAL A 209
ILE A 239
LEU A 244
 3NG  A 501 (-3.9A)
3NG  A 501 (-2.7A)
None
None
3NG  A 501 (-4.1A)
 1.08A 3oxzA-6fyvA:
21.5		 3oxzA-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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 5 LEU A 167
LYS A 191
VAL A 209
ILE A 239
LEU A 295
 3NG  A 501 (-3.9A)
3NG  A 501 (-2.7A)
None
None
None
 0.81A 3oxzA-6fyvA:
21.5		 3oxzA-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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 5 LEU A 167
VAL A 209
ILE A 239
LEU A 295
VAL A 323
 3NG  A 501 (-3.9A)
None
None
None
None
 0.83A 3oxzA-6fyvA:
21.5		 3oxzA-6fyvA:
undetectable