SIMILAR PATTERNS OF AMINO ACIDS FOR 3MSS_B_STIB1_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.
1by8 PROTEIN
(PROCATHEPSIN K)


(Homo sapiens)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
4 TYR A 249
VAL A 224
VAL A 263
ILE A 278
None
1.06A 3mssB-1by8A:
undetectable
3mssB-1by8A:
23.16
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
4 TYR A 497
VAL A 459
VAL A 597
ARG A 562
None
1.07A 3mssB-1k72A:
undetectable
3mssB-1k72A:
19.61
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 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
None
0.97A 3mssB-1k9aA:
31.2
3mssB-1k9aA:
30.26
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
VAL A 249
ILE A 264
MET A 269
ARG A 313
None
0.90A 3mssB-1k9aA:
31.2
3mssB-1k9aA:
30.26
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis)
PF00759
(Glyco_hydro_9)
4 TYR A 327
VAL A  71
VAL A 262
ARG A 305
None
0.77A 3mssB-1ks8A:
undetectable
3mssB-1ks8A:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK


(Rattus
norvegicus)
PF07714
(Pkinase_Tyr)
4 LYS A 608
VAL A 638
MET A 657
ARG A 723
None
0.95A 3mssB-1lufA:
35.0
3mssB-1lufA:
37.22
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)
5 TYR A 272
LYS A 290
VAL A 308
VAL A 318
ILE A 332
P16  A   2 (-3.6A)
P16  A   2 (-4.5A)
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
0.90A 3mssB-1opkA:
34.6
3mssB-1opkA:
58.99
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)
5 TYR A 272
VAL A 308
VAL A 318
ILE A 332
MET A 337
P16  A   2 (-3.6A)
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
None
0.73A 3mssB-1opkA:
34.6
3mssB-1opkA:
58.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT


(Thauera
aromatica)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
4 TYR A 348
VAL A 129
ILE A 145
ARG A 101
None
0.96A 3mssB-1sb3A:
undetectable
3mssB-1sb3A:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5e FTSZ

(Methanocaldococcus
jannaschii)
PF00091
(Tubulin)
PF12327
(FtsZ_C)
4 TYR A 319
VAL A 188
VAL A 242
ILE A 337
None
0.98A 3mssB-1w5eA:
undetectable
3mssB-1w5eA:
21.66
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE


(Ruminiclostridium
thermocellum)
PF00331
(Glyco_hydro_10)
4 TYR A 670
VAL A 701
ILE A 715
ARG A 655
None
0.87A 3mssB-1xyzA:
undetectable
3mssB-1xyzA:
22.25
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE


(Ruminiclostridium
thermocellum)
PF00331
(Glyco_hydro_10)
4 TYR A 674
VAL A 701
ILE A 715
ARG A 655
None
1.05A 3mssB-1xyzA:
undetectable
3mssB-1xyzA:
22.25
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.
1zcw AROMATIC
PRENYLTRANSFERASE


(Streptomyces
sp. CL190)
PF11468
(PTase_Orf2)
4 TYR A 255
VAL A 113
MET A  14
ARG A  56
None
1.01A 3mssB-1zcwA:
undetectable
3mssB-1zcwA:
22.32
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)
4 VAL X  67
ILE X  80
MET X  85
ARG X 129
None
None
None
PTR  X 160 ( 3.4A)
1.08A 3mssB-2dq7X:
32.0
3mssB-2dq7X:
44.22
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Streptococcus
mutans)
PF00171
(Aldedh)
4 VAL A  90
VAL A 101
ILE A  85
MET A  76
None
1.06A 3mssB-2euhA:
undetectable
3mssB-2euhA:
23.86
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)
4 LYS A 295
VAL A 323
ILE A 336
MET A 341
None
0.95A 3mssB-2hckA:
30.1
3mssB-2hckA:
30.42
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)
4 LYS A 273
VAL A 291
VAL A 301
ILE A 314
1BM  A 499 (-3.8A)
None
None
1BM  A 499 (-3.9A)
0.59A 3mssB-2hk5A:
27.8
3mssB-2hk5A:
46.83
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)
5 VAL A 291
VAL A 301
ILE A 314
MET A 319
ARG A 363
None
None
1BM  A 499 (-3.9A)
None
None
1.02A 3mssB-2hk5A:
27.8
3mssB-2hk5A:
46.83
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)
5 VAL A 289
VAL A 299
ILE A 313
MET A 318
ARG A 362
None
GIN  A 600 (-4.6A)
GIN  A 600 (-3.8A)
None
None
1.04A 3mssB-2hz0A:
34.6
3mssB-2hz0A:
97.45
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.
2j0j FOCAL ADHESION
KINASE 1


(Gallus gallus)
PF00373
(FERM_M)
PF07714
(Pkinase_Tyr)
4 LYS A 454
VAL A 484
ILE A 497
ARG A 545
4ST  A1687 (-3.4A)
None
None
None
0.56A 3mssB-2j0jA:
32.2
3mssB-2j0jA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j1q ARGININE KINASE

(Trypanosoma
cruzi)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
4 VAL A 252
VAL A 152
ILE A 230
ARG A 164
None
0.86A 3mssB-2j1qA:
undetectable
3mssB-2j1qA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jkm FOCAL ADHESION
KINASE 1


(Gallus gallus)
PF07714
(Pkinase_Tyr)
4 LYS A 454
VAL A 484
ILE A 497
ARG A 545
BII  A1687 (-2.9A)
None
None
None
0.97A 3mssB-2jkmA:
32.0
3mssB-2jkmA:
41.16
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)
4 VAL A 301
ILE A 314
MET A 319
ARG A 363
None
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
0.53A 3mssB-2og8A:
32.1
3mssB-2og8A:
45.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE
PROTEIN SIP2


(Saccharomyces
cerevisiae)
PF04739
(AMPKBI)
PF16561
(AMPK1_CBM)
PF16579
(AdenylateSensor)
4 VAL B 382
VAL A 582
ILE A 623
MET A 519
None
1.06A 3mssB-2qlvB:
undetectable
3mssB-2qlvB:
22.12
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.
2w1k PUTATIVE SORTASE

(Streptococcus
pneumoniae)
PF04203
(Sortase)
4 TYR A 176
VAL A 109
ILE A 105
ARG A 215
None
0.85A 3mssB-2w1kA:
undetectable
3mssB-2w1kA:
23.49
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)
4 LYS A 653
ILE A 697
MET A 702
ARG A 745
Q9G  A1898 (-4.8A)
Q9G  A1898 ( 4.6A)
None
None
0.84A 3mssB-2xyuA:
27.5
3mssB-2xyuA:
38.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywn PEROXIREDOXIN-LIKE
PROTEIN


(Sulfurisphaera
tokodaii)
PF00578
(AhpC-TSA)
4 VAL A  65
VAL A 150
ILE A 123
ARG A 118
None
0.98A 3mssB-2ywnA:
undetectable
3mssB-2ywnA:
22.37
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)
4 VAL A 303
ILE A 317
MET A 322
ARG A 366
None
1.06A 3mssB-2zv7A:
31.5
3mssB-2zv7A:
46.08
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like)
4 LYS A 206
VAL A 149
ILE A 211
ARG A 167
None
1.06A 3mssB-3abzA:
undetectable
3mssB-3abzA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans)
no annotation 4 VAL A 710
VAL A 661
ILE A 674
ARG A 645
None
1.06A 3mssB-3c2gA:
undetectable
3mssB-3c2gA:
17.41
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 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
None
0.97A 3mssB-3d7uA:
27.2
3mssB-3d7uA:
44.26
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
VAL A 249
ILE A 264
MET A 269
ARG A 313
None
0.90A 3mssB-3d7uA:
27.2
3mssB-3d7uA:
44.26
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)
4 LYS A 665
VAL A 695
ILE A 709
MET A 714
IHZ  A1001 ( 4.5A)
IHZ  A1001 ( 4.9A)
None
None
0.64A 3mssB-3dkoA:
30.9
3mssB-3dkoA:
35.29
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)
4 VAL A 695
ILE A 709
MET A 714
ARG A 757
IHZ  A1001 ( 4.9A)
None
None
None
0.75A 3mssB-3dkoA:
30.9
3mssB-3dkoA:
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 4
ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 5


(Schizosaccharomyces
pombe)
PF04699
(P16-Arc)
PF05856
(ARPC4)
4 VAL F  53
VAL G 145
ILE G 111
ARG F  13
None
1.05A 3mssB-3dwlF:
undetectable
3mssB-3dwlF:
20.14
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.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4


(Rattus
norvegicus)
PF13848
(Thioredoxin_6)
4 VAL A 413
VAL A 472
ILE A 450
ARG A 497
None
1.08A 3mssB-3ec3A:
undetectable
3mssB-3ec3A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A  82
VAL A 113
ILE A 127
MET A 132
STU  A   1 ( 4.2A)
None
None
None
0.63A 3mssB-3fmeA:
17.7
3mssB-3fmeA:
26.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gei TRNA MODIFICATION
GTPASE MNME


(Chlorobaculum
tepidum)
PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical)
4 VAL A  30
VAL A  22
ILE A 471
ARG A 107
None
1.01A 3mssB-3geiA:
undetectable
3mssB-3geiA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis)
PF00149
(Metallophos)
4 TYR A 283
VAL A 321
VAL A 314
ILE A  44
None
0.94A 3mssB-3gveA:
undetectable
3mssB-3gveA:
21.08
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.
3k30 HISTAMINE
DEHYDROGENASE


(Pimelobacter
simplex)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
4 TYR A 535
VAL A 526
VAL A 619
ILE A 553
None
1.04A 3mssB-3k30A:
undetectable
3mssB-3k30A:
19.29
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2


(Caenorhabditis
elegans)
PF00806
(PUF)
4 VAL A 344
VAL A 306
ILE A 328
ARG A 390
None
1.07A 3mssB-3k5zA:
undetectable
3mssB-3k5zA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx0 EPHRIN TYPE-A
RECEPTOR 2


(Homo sapiens)
PF00041
(fn3)
PF01404
(Ephrin_lbd)
4 VAL A 194
VAL A 189
ILE A 145
ARG A  82
None
1.07A 3mssB-3mx0A:
undetectable
3mssB-3mx0A:
21.08
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.
3my9 MUCONATE
CYCLOISOMERASE


(Azorhizobium
caulinodans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 VAL A   6
VAL A  86
ILE A 114
MET A 279
None
1.07A 3mssB-3my9A:
undetectable
3mssB-3my9A:
22.65
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.
3nnr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY


(Marinobacter
hydrocarbonoclasticus)
PF00440
(TetR_N)
PF13972
(TetR)
4 VAL A 157
VAL A  87
ILE A 126
ARG A 209
None
UNL  A 230 ( 4.7A)
UNL  A 230 ( 4.9A)
None
1.06A 3mssB-3nnrA:
undetectable
3mssB-3nnrA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o6p PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN


(Enterococcus
faecalis)
PF00496
(SBP_bac_5)
4 VAL A 412
VAL A 520
ILE A 419
ARG A 441
None
1.06A 3mssB-3o6pA:
undetectable
3mssB-3o6pA:
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.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA


(Sulfolobus
solfataricus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C)
4 VAL A 118
VAL A 178
ILE A 115
ARG A 130
None
1.05A 3mssB-3penA:
undetectable
3mssB-3penA:
21.83
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.
3qdt BOLETUS EDULIS
LECTIN


(Boletus edulis)
PF07367
(FB_lectin)
4 TYR A  96
VAL A 130
VAL A 125
ILE A   4
None
1.08A 3mssB-3qdtA:
undetectable
3mssB-3qdtA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vba ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
SMALL SUBUNIT


(Methanocaldococcus
jannaschii)
PF00694
(Aconitase_C)
4 TYR A  94
VAL A   9
ILE A  81
MET A 148
None
1.02A 3mssB-3vbaA:
undetectable
3mssB-3vbaA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 LYS A 235
VAL A 212
ILE A 238
ARG A 322
None
1.05A 3mssB-3wvnA:
undetectable
3mssB-3wvnA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 588
VAL A 617
MET A 636
ARG A 691
None
0.92A 3mssB-4at3A:
28.3
3mssB-4at3A:
37.42
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.
4ddi UBIQUITIN-CONJUGATIN
G ENZYME E2 D2,
UBIQUITIN
THIOESTERASE OTUB1


(Homo sapiens)
PF00179
(UQ_con)
PF10275
(Peptidase_C65)
4 TYR A1235
VAL A1056
ILE A1072
ARG A1083
None
1.02A 3mssB-4ddiA:
undetectable
3mssB-4ddiA:
21.41
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.
4ddi UBIQUITIN-CONJUGATIN
G ENZYME E2 D2,
UBIQUITIN
THIOESTERASE OTUB1


(Homo sapiens)
PF00179
(UQ_con)
PF10275
(Peptidase_C65)
4 TYR A1261
VAL A1056
ILE A1072
ARG A1083
None
1.07A 3mssB-4ddiA:
undetectable
3mssB-4ddiA:
21.41
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.
4de8 CPS2A

(Streptococcus
pneumoniae)
PF02916
(DNA_PPF)
PF03816
(LytR_cpsA_psr)
4 TYR A 398
VAL A 230
VAL A 413
ILE A 409
None
1.04A 3mssB-4de8A:
undetectable
3mssB-4de8A:
21.29
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.
4dx8 KREV INTERACTION
TRAPPED PROTEIN 1


(Homo sapiens)
PF16705
(NUDIX_5)
4 VAL H  92
VAL H  14
ILE H  68
ARG H 179
None
1.01A 3mssB-4dx8H:
undetectable
3mssB-4dx8H:
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT


(Lactobacillus
brevis)
PF12849
(PBP_like_2)
4 TYR A 255
VAL A 103
VAL A 107
ILE A  84
None
1.09A 3mssB-4ecfA:
undetectable
3mssB-4ecfA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0i HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 543
VAL A 572
MET A 591
ARG A 648
None
0.81A 3mssB-4f0iA:
27.7
3mssB-4f0iA:
36.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0j PROBABLE HYDROLYTIC
ENZYME


(Pseudomonas
aeruginosa)
PF00561
(Abhydrolase_1)
4 TYR A  56
VAL A 159
VAL A 133
ILE A  69
None
1.09A 3mssB-4f0jA:
undetectable
3mssB-4f0jA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1n KPAGO

(Vanderwaltozyma
polyspora)
PF02171
(Piwi)
4 TYR A 724
VAL A1096
VAL A 472
ILE A 696
None
1.01A 3mssB-4f1nA:
undetectable
3mssB-4f1nA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1


(Caenorhabditis
elegans)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
4 TYR A 467
VAL A 441
VAL A 494
ILE A 475
None
1.07A 3mssB-4f4cA:
undetectable
3mssB-4f4cA:
13.40
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.
4huj UNCHARACTERIZED
PROTEIN


(Sinorhizobium
meliloti)
PF03807
(F420_oxidored)
4 TYR A  69
VAL A  62
VAL A 117
ILE A   7
None
1.00A 3mssB-4hujA:
undetectable
3mssB-4hujA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN


(Bacteroides
fragilis)
PF00092
(VWA)
4 VAL A 225
VAL A 194
ILE A 271
ARG A 117
None
0.87A 3mssB-4jduA:
undetectable
3mssB-4jduA:
22.18
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)
4 LYS A 295
VAL A 313
VAL A 323
ILE A 336
VGG  A 601 (-3.8A)
None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
0.88A 3mssB-4lggA:
29.7
3mssB-4lggA:
45.73
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)
4 LYS A 295
VAL A 323
ILE A 336
ARG A 385
VGG  A 601 (-3.8A)
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
0.97A 3mssB-4lggA:
29.7
3mssB-4lggA:
45.73
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)
4 VAL A 313
VAL A 323
ILE A 336
MET A 341
None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
0.88A 3mssB-4lggA:
29.7
3mssB-4lggA:
45.73
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)
4 VAL A 323
ILE A 336
MET A 341
ARG A 385
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
None
0.80A 3mssB-4lggA:
29.7
3mssB-4lggA:
45.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE


(Trypanosoma
brucei)
no annotation 4 VAL B  57
VAL B  61
ILE B 177
MET B 153
None
0.77A 3mssB-4lwoB:
undetectable
3mssB-4lwoB:
23.45
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.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Campylobacter
jejuni)
PF00478
(IMPDH)
4 LYS A 261
VAL A 242
VAL A 234
ILE A 260
None
1.02A 3mssB-4mz1A:
undetectable
3mssB-4mz1A:
22.03
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Anaerococcus
prevotii)
PF03480
(DctP)
4 TYR A 325
VAL A 124
ILE A 134
ARG A 154
None
None
None
GCU  A 401 ( 2.7A)
1.08A 3mssB-4n91A:
undetectable
3mssB-4n91A:
20.16
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
4 TYR A 133
VAL A  75
ILE A  51
ARG A 221
None
1.09A 3mssB-4p9nA:
undetectable
3mssB-4p9nA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA


(Kluyvera
cryocrescens)
PF01804
(Penicil_amidase)
4 TYR A  25
VAL B 148
VAL A 134
MET A 100
None
1.06A 3mssB-4pelA:
undetectable
3mssB-4pelA:
22.18
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.
4pu6 L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT


(Phaseolus
vulgaris)
PF01112
(Asparaginase_2)
4 VAL B 197
ILE B 292
MET B 320
ARG A  56
None
1.06A 3mssB-4pu6B:
undetectable
3mssB-4pu6B:
18.44
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.
4q8l ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
4 TYR A  55
VAL A 221
ILE A  87
ARG A 152
None
0.96A 3mssB-4q8lA:
undetectable
3mssB-4q8lA:
22.65
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)
4 LYS A  37
VAL A  65
ILE A  79
ARG A 128
None
0.76A 3mssB-4ueuA:
32.5
3mssB-4ueuA:
62.80
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)
4 VAL A  65
ILE A  79
MET A  84
ARG A 128
None
0.58A 3mssB-4ueuA:
32.5
3mssB-4ueuA:
62.80
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii)
PF08514
(STAG)
4 VAL A 926
VAL A 858
ILE A 900
ARG A 918
None
0.94A 3mssB-4uvkA:
undetectable
3mssB-4uvkA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE


(Zophobas
atratus)
PF00501
(AMP-binding)
4 TYR A 226
VAL A 116
ILE A 121
MET A 182
None
1.08A 3mssB-4w8oA:
undetectable
3mssB-4w8oA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1


(Mus musculus)
PF12940
(RAG1)
4 VAL B 987
VAL B 472
MET B1003
ARG B 969
None
1.08A 3mssB-4wwxB:
undetectable
3mssB-4wwxB:
18.70
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 4 LYS B 290
VAL B 308
VAL B 318
ILE B 332
1N1  B 601 (-4.6A)
None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
0.82A 3mssB-4xeyB:
29.7
3mssB-4xeyB:
71.50
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 4 VAL B 308
VAL B 318
ILE B 332
MET B 337
None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
None
0.55A 3mssB-4xeyB:
29.7
3mssB-4xeyB:
71.50
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans)
PF01055
(Glyco_hydro_31)
PF17137
(DUF5110)
4 TYR A  88
VAL A 203
VAL A  42
ILE A 148
None
1.08A 3mssB-4xprA:
undetectable
3mssB-4xprA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2


(Homo sapiens)
PF00632
(HECT)
4 TYR A 617
VAL A 519
VAL A 515
ILE A 532
None
1.02A 3mssB-4y07A:
undetectable
3mssB-4y07A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an9 60S RIBOSOMAL
PROTEIN L3


(Dictyostelium
discoideum)
PF00297
(Ribosomal_L3)
4 VAL A 336
ILE A 218
MET A  53
ARG A  24
None
None
C  N3384 ( 3.5A)
G  N3339 ( 2.8A)
1.04A 3mssB-5an9A:
undetectable
3mssB-5an9A:
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.
5b6k UNCHARACTERIZED
PROTEIN CGKR1


([Candida]
glabrata)
PF01370
(Epimerase)
4 TYR A 190
VAL A  12
VAL A 126
ILE A 114
None
0.86A 3mssB-5b6kA:
undetectable
3mssB-5b6kA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
4 VAL A  70
VAL A  28
ILE A 123
ARG A  41
None
1.08A 3mssB-5by3A:
undetectable
3mssB-5by3A:
15.84
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 TYR A 641
VAL A 660
ILE A 644
ARG A 618
None
0.94A 3mssB-5dfaA:
undetectable
3mssB-5dfaA:
18.62
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata)
no annotation 4 TYR A  21
VAL A 267
ILE A 315
ARG A 215
None
1.09A 3mssB-5h2tA:
undetectable
3mssB-5h2tA:
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis)
PF09663
(Amido_AtzD_TrzD)
4 VAL A  35
VAL A 241
ILE A  80
ARG A   8
None
1.09A 3mssB-5hxzA:
undetectable
3mssB-5hxzA:
21.82
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.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN


(Sphingopyxis
alaskensis)
PF00326
(Peptidase_S9)
4 VAL A 457
VAL A 442
ILE A 548
ARG A 486
None
1.08A 3mssB-5jrlA:
undetectable
3mssB-5jrlA:
16.62
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans)
PF01126
(Heme_oxygenase)
4 TYR A  45
VAL A 194
VAL A 104
ILE A 201
None
0.90A 3mssB-5kzlA:
undetectable
3mssB-5kzlA:
23.23
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)
4 LYS A 665
ILE A 709
MET A 714
ARG A 757
None
6P6  A1001 ( 4.5A)
None
None
0.70A 3mssB-5l6oA:
33.1
3mssB-5l6oA:
37.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63)
PF01600
(Corona_S1)
PF01601
(Corona_S2)
4 TYR A 960
VAL A1173
VAL A1177
ARG A1158
None
1.07A 3mssB-5szsA:
undetectable
3mssB-5szsA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t53 N-ACETYLTRANSFERASE
ESCO1


(Homo sapiens)
PF13878
(zf-C2H2_3)
PF13880
(Acetyltransf_13)
4 TYR A 677
LYS A 681
VAL A 719
ILE A 685
None
0.94A 3mssB-5t53A:
undetectable
3mssB-5t53A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2


(Homo sapiens)
PF00397
(WW)
PF00632
(HECT)
4 TYR A 617
VAL A 519
VAL A 515
ILE A 532
None
1.04A 3mssB-5tj7A:
undetectable
3mssB-5tj7A:
20.51
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.
5u1h OUTER MEMBRANE PORIN
F


(Pseudomonas
aeruginosa)
PF00691
(OmpA)
4 VAL A 111
VAL A  85
ILE A  29
ARG A  65
None
0.80A 3mssB-5u1hA:
undetectable
3mssB-5u1hA:
18.28
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.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 5


(Homo sapiens)
PF13191
(AAA_16)
PF14630
(ORC5_C)
4 TYR E 199
VAL E 214
ILE E 208
ARG E 255
None
1.05A 3mssB-5uj7E:
undetectable
3mssB-5uj7E:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ujm ORIGIN RECOGNITION
COMPLEX SUBUNIT 5


(Homo sapiens)
PF13191
(AAA_16)
PF14630
(ORC5_C)
4 TYR E 199
VAL E 214
ILE E 208
ARG E 255
None
1.05A 3mssB-5ujmE:
undetectable
3mssB-5ujmE:
20.80
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.
5wvr KLLA0C04147P

(Kluyveromyces
lactis)
PF01237
(Oxysterol_BP)
4 VAL A1060
VAL A1079
ILE A1041
ARG A 900
None
0.90A 3mssB-5wvrA:
undetectable
3mssB-5wvrA:
21.56
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus)
no annotation 4 VAL C 306
VAL C  92
ILE C 222
ARG C  62
None
1.07A 3mssB-5xw6C:
undetectable
3mssB-5xw6C:
20.82
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b)
no annotation 4 VAL A 230
VAL A  84
ILE A 237
ARG A 218
None
HEM  A 501 (-3.9A)
HEM  A 501 ( 4.6A)
None
0.99A 3mssB-5yhjA:
undetectable
3mssB-5yhjA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 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 4 LYS A 191
VAL A 209
VAL A 225
ILE A 239
EAQ  A 501 (-3.2A)
None
None
None
0.81A 3mssB-6fyoA:
21.4
3mssB-6fyoA:
undetectable