SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJM_B_BJMB2

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 152
VAL A 164
TYR A 251
TYR A 154
VAL A 160
 FAD  A 600 (-2.5A)
None
FAD  A 600 (-4.5A)
FAD  A 600 (-3.7A)
FAD  A 600 (-3.4A)
 1.30A 3bjmB-1bhyA:
undetectable		 3bjmB-1bhyA:
20.64
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.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ARG A  46
GLU A 136
TYR A 200
ASN A 139
HIS A  90
 None
None
BGC  A 351 (-4.3A)
BGC  A 351 (-3.9A)
BGC  A 351 (-4.1A)
 1.45A 3bjmB-1cenA:
undetectable		 3bjmB-1cenA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum) 		PF00150
(Cellulase) 		5 ARG A  79
GLU A 166
TYR A 256
ASN A 169
HIS A 122
 None
 1.50A 3bjmB-1edgA:
undetectable		 3bjmB-1edgA:
19.81
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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		5 GLU A 322
GLU A 323
SER A 167
VAL A 275
TYR A 316
 None
 1.34A 3bjmB-1f0iA:
2.1		 3bjmB-1f0iA:
22.42
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.
1gvc OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 GLU A 223
GLU A 226
VAL A 100
TYR A 227
VAL A 216
 None
 1.47A 3bjmB-1gvcA:
undetectable		 3bjmB-1gvcA:
11.54
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		5 ARG A  49
GLU A 166
TYR A 200
ASN A 132
HIS A  93
 None
 1.49A 3bjmB-1gzjA:
undetectable		 3bjmB-1gzjA:
17.96
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.
1i9a ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Escherichia
coli) 		PF00293
(NUDIX) 		5 GLU A 114
GLU A 116
PHE A  35
SER A 159
TYR A 104
 MN  A1001 (-1.9A)
MN  A1001 (-3.1A)
None
None
None
 1.36A 3bjmB-1i9aA:
undetectable		 3bjmB-1i9aA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 ARG A 179
GLU A 240
PHE A 196
ASN A 246
HIS A 208
 None
 1.16A 3bjmB-1lgyA:
4.8		 3bjmB-1lgyA:
16.30
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		6 GLU A 396
SER A 348
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.59A 3bjmB-1lnsA:
7.2		 3bjmB-1lnsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		6 TYR A 210
SER A 348
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.64A 3bjmB-1lnsA:
7.2		 3bjmB-1lnsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		5 ARG A 213
GLU A 154
GLU A 158
TYR A 552
VAL A 149
 None
 1.41A 3bjmB-1qhbA:
undetectable		 3bjmB-1qhbA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 GLU A 152
GLU A 128
PHE A 179
VAL A 213
VAL A 210
 None
 1.11A 3bjmB-1t0bA:
undetectable		 3bjmB-1t0bA:
15.40
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.46A 3bjmB-1t3qB:
undetectable		 3bjmB-1t3qB:
21.49
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.
1w7p VPS22, YPL002C

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		5 GLU A 118
PHE A 124
SER A 160
ASN A 110
VAL A 113
 None
 1.46A 3bjmB-1w7pA:
undetectable		 3bjmB-1w7pA:
15.62
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		5 GLU A 105
TYR A 101
TYR A 102
ASN A  30
HIS A 139
 None
 1.11A 3bjmB-1yb0A:
2.0		 3bjmB-1yb0A:
12.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 123
GLU A 203
GLU A 204
TYR A 541
SER A 624
VAL A 650
TYR A 656
TYR A 660
ASN A 704
VAL A 705
HIS A 734
 None
 0.52A 3bjmB-1z68A:
48.7		 3bjmB-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ARG A 123
PHE A 350
TYR A 541
SER A 624
TYR A 660
 None
 1.19A 3bjmB-1z68A:
48.7		 3bjmB-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.72A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.42A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
PHE A 357
TYR A 547
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
 1.42A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 PHE A 187
SER A 103
VAL A 129
VAL A 227
HIS A 252
 None
CL  A 400 (-2.9A)
None
None
None
 1.15A 3bjmB-2d0dA:
16.6		 3bjmB-2d0dA:
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
TYR A 518
SER A 603
TYR A 639
VAL A 680
 None
 1.16A 3bjmB-2d5lA:
31.0		 3bjmB-2d5lA:
26.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
TYR A 518
SER A 603
VAL A 629
TYR A 639
 None
 0.88A 3bjmB-2d5lA:
31.0		 3bjmB-2d5lA:
26.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 TYR A 518
SER A 603
VAL A 629
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.49A 3bjmB-2d5lA:
31.0		 3bjmB-2d5lA:
26.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 GLU A 207
TYR A 524
SER A 610
VAL A 636
TYR A 642
TYR A 646
VAL A 688
HIS A 717
 None
 0.65A 3bjmB-2ecfA:
35.1		 3bjmB-2ecfA:
28.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 TYR A 524
SER A 610
VAL A 636
TYR A 642
TYR A 646
ASN A 687
VAL A 688
HIS A 717
 None
 0.52A 3bjmB-2ecfA:
35.1		 3bjmB-2ecfA:
28.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		12 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
ACF  A 800 (-3.3A)
None
None
 0.30A 3bjmB-2g5tA:
57.8		 3bjmB-2g5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 GLU A 205
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
VAL A 711
 ACF  A 800 (-3.6A)
None
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
None
 1.34A 3bjmB-2g5tA:
57.8		 3bjmB-2g5tA:
100.00
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 SER A 269
VAL A 273
TYR A 162
ASN A  48
VAL A 157
 None
 1.12A 3bjmB-2iuyA:
4.3		 3bjmB-2iuyA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		12 ARG A 123
GLU A 203
GLU A 204
PHE A 355
TYR A 548
SER A 631
VAL A 657
TYR A 663
TYR A 667
ASN A 711
VAL A 712
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-3.1A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.53A 3bjmB-2oaeA:
52.2		 3bjmB-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 203
PHE A 355
TYR A 548
SER A 631
VAL A 657
VAL A 712
 AIL  A 901 (-3.8A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.9A)
 1.28A 3bjmB-2oaeA:
52.2		 3bjmB-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 204
TYR A 548
SER A 631
VAL A 657
TYR A 663
 AIL  A 901 (-2.9A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
 1.18A 3bjmB-2oaeA:
52.2		 3bjmB-2oaeA:
84.40
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLU A 359
TYR A  18
TYR A  16
ASN A  48
VAL A 252
 None
 1.44A 3bjmB-2yxxA:
undetectable		 3bjmB-2yxxA:
19.12
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 GLU A 317
GLU A 318
SER A 165
VAL A 274
TYR A 311
 None
 1.31A 3bjmB-2ze4A:
2.7		 3bjmB-2ze4A:
20.83
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 ARG A  85
GLU A  82
PHE A 128
VAL A 263
VAL A  32
 None
 1.33A 3bjmB-2zieA:
3.1		 3bjmB-2zieA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ARG A  62
GLU A 135
TYR A 202
ASN A 138
HIS A 101
 None
None
CTR  A   1 (-4.5A)
CTR  A   1 (-3.1A)
CTR  A   1 (-4.0A)
 1.45A 3bjmB-3a3hA:
undetectable		 3bjmB-3a3hA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 473
SER A 554
VAL A 580
VAL A 644
HIS A 680
 ACT  A 801 (-4.5A)
ACT  A 801 ( 2.6A)
None
None
ACT  A 801 (-3.8A)
 0.33A 3bjmB-3dduA:
25.2		 3bjmB-3dduA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3bjmB-3i6uA:
3.2		 3bjmB-3i6uA:
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.
3imf SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 TYR A 142
SER A 153
VAL A 111
VAL A 107
HIS A 152
 None
 1.27A 3bjmB-3imfA:
undetectable		 3bjmB-3imfA:
15.11
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ARG A 245
GLU A 241
SER A 229
VAL A 121
VAL A 239
 None
 1.39A 3bjmB-3ju5A:
undetectable		 3bjmB-3ju5A:
18.63
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 458
SER A 538
VAL A 564
VAL A 625
HIS A 657
 ZPR  A 701 (-4.4A)
ZPR  A 701 (-1.2A)
None
ZPR  A 701 (-4.9A)
ZPR  A 702 (-4.0A)
 0.32A 3bjmB-3muoA:
24.4		 3bjmB-3muoA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 GLU A 102
SER A  67
VAL A 345
TYR A 346
HIS A 106
 None
 1.40A 3bjmB-3pg1A:
3.1		 3bjmB-3pg1A:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		5 ARG A  92
GLU A 165
TYR A 231
ASN A 168
HIS A 131
 None
 1.48A 3bjmB-3pzuA:
undetectable		 3bjmB-3pzuA:
17.46
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.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 PHE A 435
VAL A  76
TYR A 458
ASN A  84
VAL A  80
 D7V  A1201 ( 3.8A)
None
5EH  A1200 ( 4.4A)
None
None
 1.43A 3bjmB-3rzeA:
undetectable		 3bjmB-3rzeA:
20.75
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		5 GLU A 250
PHE A 285
TYR A  74
ASN A 180
VAL A 117
 EPE  A 804 (-3.8A)
None
CL  A 807 (-4.2A)
None
None
 1.48A 3bjmB-3w5fA:
2.9		 3bjmB-3w5fA:
21.13
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 PHE A  58
TYR A 718
SER A 716
VAL A 714
VAL A 670
 None
 1.20A 3bjmB-4a2lA:
3.1		 3bjmB-4a2lA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 ARG A 298
GLU A 323
SER A 308
VAL A 319
VAL A 294
 None
 1.33A 3bjmB-4krgA:
undetectable		 3bjmB-4krgA:
21.33
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		5 ARG A 206
GLU A 267
PHE A 223
ASN A 273
HIS A 235
 None
 1.11A 3bjmB-4l3wA:
4.8		 3bjmB-4l3wA:
16.76
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 518
SER A 603
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
None
 0.50A 3bjmB-4q1vA:
33.9		 3bjmB-4q1vA:
28.55
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.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 TYR A 115
VAL A 188
TYR A 195
VAL A 105
HIS A 230
 None
 1.37A 3bjmB-4tvvA:
undetectable		 3bjmB-4tvvA:
18.07
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 GLU A1768
SER A1756
ASN A1746
VAL A1744
HIS A1674
 None
 1.48A 3bjmB-4w82A:
undetectable		 3bjmB-4w82A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xzb CELA

(Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		5 ARG A  62
GLU A 138
TYR A 205
ASN A 141
HIS A 104
 None
 1.44A 3bjmB-4xzbA:
undetectable		 3bjmB-4xzbA:
18.41
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 SER A 104
VAL A 130
TYR A 134
VAL A 250
HIS A 275
 None
 0.72A 3bjmB-4y7dA:
7.1		 3bjmB-4y7dA:
16.80
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 ARG A 110
GLU A 184
TYR A 257
ASN A 187
HIS A 149
 None
None
EDO  A 614 (-4.1A)
CA  A 643 ( 4.8A)
None
 1.45A 3bjmB-5ecuA:
undetectable		 3bjmB-5ecuA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 ARG A 114
GLU A 188
TYR A 261
ASN A 191
HIS A 153
 None
 1.45A 3bjmB-5fipA:
undetectable		 3bjmB-5fipA:
18.01
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 ARG A  82
TYR A 298
VAL A 174
ASN A 170
HIS A 126
 None
BGC  A 502 (-4.4A)
None
BGC  A 502 (-3.3A)
BGC  A 502 (-4.0A)
 1.48A 3bjmB-5gnxA:
undetectable		 3bjmB-5gnxA:
20.65
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.
5gvv GLYCOSYL TRANSFERASE
FAMILY 8

(Streptococcus
pneumoniae) 		PF01501
(Glyco_transf_8) 		5 TYR A 309
VAL A 340
TYR A 346
ASN A 282
VAL A 281
 None
 1.13A 3bjmB-5gvvA:
undetectable		 3bjmB-5gvvA:
21.57
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		5 ARG A  69
GLU A 139
TYR A 204
ASN A 142
HIS A 110
 None
None
GOL  A 402 ( 4.9A)
GOL  A 402 (-3.5A)
GOL  A 402 (-4.2A)
 1.44A 3bjmB-5i2uA:
undetectable		 3bjmB-5i2uA:
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		5 ARG A  58
GLU A 175
TYR A 209
ASN A 141
HIS A 102
 None
 1.46A 3bjmB-5i6sA:
undetectable		 3bjmB-5i6sA:
18.13
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.
5i77 ENDO-BETA-1,
4-GLUCANASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 ARG A  76
GLU A 193
TYR A 227
ASN A 159
HIS A 120
 None
None
PEG  A 403 ( 4.6A)
None
None
 1.46A 3bjmB-5i77A:
undetectable		 3bjmB-5i77A:
19.32
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		5 ARG A  84
GLU A 155
TYR A 221
ASN A 158
HIS A 124
 None
 1.47A 3bjmB-5ihsA:
undetectable		 3bjmB-5ihsA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 ARG A 115
GLU A 195
GLU A 196
TYR A 511
SER A 593
VAL A 619
TYR A 625
TYR A 629
ASN A 670
VAL A 671
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
GOL  A 801 (-4.4A)
GOL  A 801 (-2.5A)
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
GOL  A 801 ( 3.6A)
None
None
 0.46A 3bjmB-5oljA:
39.8		 3bjmB-5oljA:
32.26
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 147
VAL A 159
TYR A 246
TYR A 149
VAL A 155
 FAD  A 601 (-2.8A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-4.1A)
FAD  A 601 (-3.8A)
 1.29A 3bjmB-5u25A:
undetectable		 3bjmB-5u25A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00849
(PseudoU_synth_2) 		5 GLU A 109
SER A 162
VAL A 164
VAL A 150
HIS A 153
 None
 1.32A 3bjmB-5vbbA:
undetectable		 3bjmB-5vbbA:
18.25
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 ARG A 106
GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
 ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
 0.83A 3bjmB-5yp3A:
34.2		 3bjmB-5yp3A:
8.39
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 10 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
 0.43A 3bjmB-5yp3A:
34.2		 3bjmB-5yp3A:
8.39
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
 ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
 1.13A 3bjmB-5yp3A:
34.2		 3bjmB-5yp3A:
8.39
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.
6d8w HEMAGGLUTININ

(Influenza A
virus) 		no annotation 5 GLU A  96
TYR A 232
ASN A 230
VAL A 181
HIS A 183
 None
 1.10A 3bjmB-6d8wA:
undetectable		 3bjmB-6d8wA:
9.44
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 GLU A 249
TYR A 644
SER A 730
TYR A 762
VAL A 811
 None
 1.10A 3bjmB-6eoqA:
31.9		 3bjmB-6eoqA:
6.94
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 9 GLU A 249
TYR A 644
SER A 730
VAL A 756
TYR A 762
TYR A 766
ASN A 810
VAL A 811
HIS A 840
 None
 0.51A 3bjmB-6eoqA:
31.9		 3bjmB-6eoqA:
6.94
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 11 ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865
 None
 0.72A 3bjmB-6eotA:
28.7		 3bjmB-6eotA:
7.26
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 6 GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
VAL A 836
 None
 1.11A 3bjmB-6eotA:
28.7		 3bjmB-6eotA:
7.26