SIMILAR PATTERNS OF AMINO ACIDS FOR 1DMI_A_BHSA1610

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.
1j5x GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Thermotoga
maritima) 		PF01380
(SIS) 		4 SER A 218
ALA A 232
PHE A 212
GLU A 217
 None
 0.94A 1dmiA-1j5xA:
0.0
1dmiB-1j5xA:
0.0		 1dmiA-1j5xA:
19.60
1dmiB-1j5xA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER L 236
ARG L 500
PHE L 502
GLU L 339
 None
 0.98A 1dmiA-1kfuL:
0.0
1dmiB-1kfuL:
0.0		 1dmiA-1kfuL:
21.56
1dmiB-1kfuL:
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		4 ARG A 106
ALA A  16
TRP A 125
PHE A 139
 ATP  A 459 ( 4.0A)
ATP  A 459 (-3.2A)
None
ATP  A 459 (-4.5A)
 1.12A 1dmiA-1kp2A:
0.0
1dmiB-1kp2A:
0.0		 1dmiA-1kp2A:
21.47
1dmiB-1kp2A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 SER A 102
VAL A 104
ARG A 365
ALA A 446
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 (-3.5A)
MPD  A 605 ( 4.0A)
 0.35A 1dmiA-1m9qA:
60.9
1dmiB-1m9qA:
60.8		 1dmiA-1m9qA:
95.17
1dmiB-1m9qA:
95.17
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.
1nbb CYTOCHROME C'

(Rhodobacter
capsulatus) 		PF01322
(Cytochrom_C_2) 		4 VAL A  38
ALA A  99
PHE A  31
GLU A  39
 None
 1.01A 1dmiA-1nbbA:
undetectable
1dmiB-1nbbA:
0.0		 1dmiA-1nbbA:
15.91
1dmiB-1nbbA:
15.91
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.
1pko MYELIN
OLIGODENDROCYTE
GLYCOPROTEIN

(Rattus
norvegicus) 		PF07686
(V-set) 		4 VAL A 115
ARG A  68
ALA A  20
GLU A  93
 None
 1.04A 1dmiA-1pkoA:
0.0
1dmiB-1pkoA:
0.0		 1dmiA-1pkoA:
16.71
1dmiB-1pkoA:
16.71
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 140
ARG A 365
ALA A 144
PHE A 333
 None
FLC  A 742 (-2.9A)
None
None
 0.94A 1dmiA-1po0A:
0.0
1dmiB-1po0A:
0.0		 1dmiA-1po0A:
20.84
1dmiB-1po0A:
20.84
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.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 SER A  86
VAL A  88
ALA A  81
TRP A  87
 None
 1.08A 1dmiA-1tj7A:
1.0
1dmiB-1tj7A:
0.0		 1dmiA-1tj7A:
21.98
1dmiB-1tj7A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		4 SER A 158
VAL A 435
ALA A 146
PHE A 228
 None
 1.10A 1dmiA-1w8jA:
0.0
1dmiB-1w8jA:
0.0		 1dmiA-1w8jA:
19.79
1dmiB-1w8jA:
19.79
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A 109
VAL A 134
ARG A 228
ALA A 107
 None
None
PLP  A 390 (-3.9A)
None
 1.10A 1dmiA-1xfcA:
0.0
1dmiB-1xfcA:
undetectable		 1dmiA-1xfcA:
23.51
1dmiB-1xfcA:
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 VAL A 107
ALA A 274
PHE A 162
GLU A 128
 None
 1.08A 1dmiA-2c2gA:
undetectable
1dmiB-2c2gA:
undetectable		 1dmiA-2c2gA:
23.03
1dmiB-2c2gA:
23.03
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.
2c7z 3-KETOACYL-COA
THIOLASE 2

(Arabidopsis
thaliana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 418
ALA A 348
PHE A 419
GLU A 351
 None
 1.10A 1dmiA-2c7zA:
undetectable
1dmiB-2c7zA:
undetectable		 1dmiA-2c7zA:
22.48
1dmiB-2c7zA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cex PROTEIN HI0146

(Haemophilus
influenzae) 		PF03480
(DctP) 		4 VAL A  86
ALA A  96
PHE A 102
GLU A 302
 None
 1.07A 1dmiA-2cexA:
undetectable
1dmiB-2cexA:
undetectable		 1dmiA-2cexA:
19.40
1dmiB-2cexA:
19.40
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		5 VAL A  27
ALA A  22
TRP A  15
PHE A 123
GLU A  30
 None
 1.38A 1dmiA-2d9jA:
undetectable
1dmiB-2d9jA:
undetectable		 1dmiA-2d9jA:
17.60
1dmiB-2d9jA:
17.60
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.
2dvl ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 SER A 317
VAL A 321
ALA A 243
GLU A 353
 None
 1.06A 1dmiA-2dvlA:
undetectable
1dmiB-2dvlA:
undetectable		 1dmiA-2dvlA:
21.85
1dmiB-2dvlA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7e ENDONUCLEASE I

(Vibrio cholerae) 		PF04231
(Endonuclease_1) 		4 VAL A  81
ARG A 209
ALA A 166
GLU A  79
 None
 1.08A 1dmiA-2g7eA:
undetectable
1dmiB-2g7eA:
undetectable		 1dmiA-2g7eA:
18.84
1dmiB-2g7eA:
18.84
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.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 227
ALA A 266
PHE A 240
GLU A 243
 None
 1.12A 1dmiA-2gcaA:
undetectable
1dmiB-2gcaA:
undetectable		 1dmiA-2gcaA:
21.97
1dmiB-2gcaA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h7v PROTEIN KINASE YPKA

(Yersinia
pseudotuberculosis) 		PF09632
(Rac1) 		4 SER C 631
ALA C 633
TRP C 632
PHE C 686
 None
 1.06A 1dmiA-2h7vC:
undetectable
1dmiB-2h7vC:
undetectable		 1dmiA-2h7vC:
20.89
1dmiB-2h7vC:
20.89
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.
2hpa PROTEIN (ACID
PHOSPHATASE)

(Homo sapiens) 		PF00328
(His_Phos_2) 		4 SER A1193
ALA A1195
TRP A1194
PHE A1021
 None
 1.09A 1dmiA-2hpaA:
undetectable
1dmiB-2hpaA:
undetectable		 1dmiA-2hpaA:
20.88
1dmiB-2hpaA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		4 ALA A 278
TRP A 279
PHE A 439
GLU A 376
 None
 1.06A 1dmiA-2jh3A:
undetectable
1dmiB-2jh3A:
undetectable		 1dmiA-2jh3A:
22.74
1dmiB-2jh3A:
22.74
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.
2kyr FRUCTOSE-LIKE
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT
1

(Escherichia
coli) 		PF02302
(PTS_IIB) 		4 VAL A  65
ALA A   7
PHE A  75
GLU A  82
 None
 0.87A 1dmiA-2kyrA:
undetectable
1dmiB-2kyrA:
undetectable		 1dmiA-2kyrA:
13.86
1dmiB-2kyrA:
13.86
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.
2l9b MRNA
3'-END-PROCESSING
PROTEIN RNA15

(Saccharomyces
cerevisiae) 		no annotation 4 ALA A 195
TRP A 187
PHE A 184
GLU A 186
 None
 1.10A 1dmiA-2l9bA:
undetectable
1dmiB-2l9bA:
undetectable		 1dmiA-2l9bA:
13.86
1dmiB-2l9bA:
13.86
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.
2otw FV LIGHT CHAIN
AVRIABLE DOMAIN VL

(Mus musculus) 		PF07686
(V-set) 		4 VAL A 114
ARG A  65
ALA A  18
GLU A  87
 None
 1.01A 1dmiA-2otwA:
undetectable
1dmiB-2otwA:
undetectable		 1dmiA-2otwA:
14.03
1dmiB-2otwA:
14.03
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		4 SER A 105
VAL A 107
TRP A  84
GLU A 513
 None
 1.08A 1dmiA-2qqpA:
undetectable
1dmiB-2qqpA:
undetectable		 1dmiA-2qqpA:
22.93
1dmiB-2qqpA:
22.93
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.
2vra ROUNDABOUT 1

(Drosophila
melanogaster) 		PF07679
(I-set) 		4 VAL A 251
ARG A 209
ALA A 172
GLU A 228
 None
SO4  A1254 ( 4.8A)
None
None
 0.93A 1dmiA-2vraA:
undetectable
1dmiB-2vraA:
undetectable		 1dmiA-2vraA:
17.87
1dmiB-2vraA:
17.87
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.
2wim NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF07679
(I-set) 		4 VAL A 205
ARG A 162
ALA A 132
GLU A 181
 None
 1.02A 1dmiA-2wimA:
undetectable
1dmiB-2wimA:
undetectable		 1dmiA-2wimA:
20.13
1dmiB-2wimA:
20.13
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.
2yd7 PTPRD PROTEIN

(Homo sapiens) 		PF07679
(I-set) 		4 VAL A 115
ARG A  68
ALA A  41
GLU A  93
 None
None
None
PO4  A1221 (-4.2A)
 1.08A 1dmiA-2yd7A:
undetectable
1dmiB-2yd7A:
undetectable		 1dmiA-2yd7A:
18.88
1dmiB-2yd7A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 ALA A 169
TRP A 242
PHE A 244
GLU A 249
 FMT  A1264 (-3.4A)
None
None
None
 1.06A 1dmiA-2yn2A:
undetectable
1dmiB-2yn2A:
undetectable		 1dmiA-2yn2A:
20.00
1dmiB-2yn2A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		4 SER A 161
VAL A 194
ALA A 150
PHE A 132
 None
 1.00A 1dmiA-3akfA:
undetectable
1dmiB-3akfA:
undetectable		 1dmiA-3akfA:
21.44
1dmiB-3akfA:
21.44
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.04A 1dmiA-3ckbA:
undetectable
1dmiB-3ckbA:
undetectable		 1dmiA-3ckbA:
21.88
1dmiB-3ckbA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A  54
VAL A  52
PHE A  59
GLU A  57
 None
 1.13A 1dmiA-3euwA:
undetectable
1dmiB-3euwA:
undetectable		 1dmiA-3euwA:
20.77
1dmiB-3euwA:
20.77
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.
3fku NEUTRALIZING
ANTIBODY F10

(Homo sapiens) 		no annotation 4 VAL X 248
ARG X 201
ALA X 157
GLU X 223
 None
 0.99A 1dmiA-3fkuX:
undetectable
1dmiB-3fkuX:
undetectable		 1dmiA-3fkuX:
20.00
1dmiB-3fkuX:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go1 FAB 268-D, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 106
ARG L  61
ALA L  19
GLU L  83
 None
SO4  L 210 (-4.0A)
None
None
 0.92A 1dmiA-3go1L:
undetectable
1dmiB-3go1L:
undetectable		 1dmiA-3go1L:
18.59
1dmiB-3go1L:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqm CELL INHIBITING
FACTOR (CIFBP)

(Burkholderia
pseudomallei) 		PF16374
(CIF) 		4 SER A 191
ALA A 161
PHE A 121
GLU A 194
 None
 1.11A 1dmiA-3gqmA:
undetectable
1dmiB-3gqmA:
undetectable		 1dmiA-3gqmA:
20.62
1dmiB-3gqmA:
20.62
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		4 SER A 319
ARG A 274
ALA A 268
GLU A 323
 None
 0.94A 1dmiA-3hgqA:
undetectable
1dmiB-3hgqA:
undetectable		 1dmiA-3hgqA:
22.55
1dmiB-3hgqA:
22.55
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.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		4 ALA A 138
TRP A 142
PHE A 215
GLU A 183
 None
None
None
SSA  A 442 ( 4.7A)
 1.08A 1dmiA-3hxwA:
undetectable
1dmiB-3hxwA:
undetectable		 1dmiA-3hxwA:
23.09
1dmiB-3hxwA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		4 SER C  69
ARG C  63
TRP C 219
GLU C 214
 None
 1.10A 1dmiA-3if6C:
undetectable
1dmiB-3if6C:
undetectable		 1dmiA-3if6C:
21.71
1dmiB-3if6C:
21.71
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.
3m45 CELL ADHESION
MOLECULE 2

(Mus musculus) 		PF07686
(V-set) 		4 VAL A 129
ARG A  85
ALA A  49
GLU A 108
 None
 1.04A 1dmiA-3m45A:
undetectable
1dmiB-3m45A:
undetectable		 1dmiA-3m45A:
14.73
1dmiB-3m45A:
14.73
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.
3mlu HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 2557 FAB
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 109
ARG L  61
ALA L  19
GLU L  83
 None
 0.93A 1dmiA-3mluL:
undetectable
1dmiB-3mluL:
undetectable		 1dmiA-3mluL:
20.00
1dmiB-3mluL:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 394
TRP A 391
PHE A 388
GLU A 390
 None
None
None
GOL  A 507 (-2.5A)
 1.10A 1dmiA-3n0qA:
undetectable
1dmiB-3n0qA:
undetectable		 1dmiA-3n0qA:
22.55
1dmiB-3n0qA:
22.55
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.
3pxh RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE F

(Mus musculus) 		PF07679
(I-set) 		4 VAL A 124
ARG A  77
ALA A  50
GLU A 102
 None
SO4  A   1 (-3.8A)
None
None
 1.09A 1dmiA-3pxhA:
undetectable
1dmiB-3pxhA:
undetectable		 1dmiA-3pxhA:
19.78
1dmiB-3pxhA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6g LIGHT CHAIN OF FAB
OF RHESUS MAB 2.5B

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 106
ARG L  61
ALA L  19
GLU L  83
 None
 0.83A 1dmiA-3q6gL:
undetectable
1dmiB-3q6gL:
undetectable		 1dmiA-3q6gL:
20.86
1dmiB-3q6gL:
20.86
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 250
VAL A 248
ALA A 282
GLU A 253
 SO4  A 401 (-3.9A)
None
None
None
 0.99A 1dmiA-3qldA:
undetectable
1dmiB-3qldA:
undetectable		 1dmiA-3qldA:
22.11
1dmiB-3qldA:
22.11
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.
3rag UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00092
(VWA) 		4 SER A  59
ARG A  30
ALA A  63
GLU A  56
 None
 1.13A 1dmiA-3ragA:
undetectable
1dmiB-3ragA:
undetectable		 1dmiA-3ragA:
20.45
1dmiB-3ragA:
20.45
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		4 VAL A 162
ALA A 177
PHE A 138
GLU A 140
 None
 1.07A 1dmiA-3swgA:
undetectable
1dmiB-3swgA:
undetectable		 1dmiA-3swgA:
20.82
1dmiB-3swgA:
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		4 VAL A 129
ALA A 179
PHE A 109
GLU A 112
 HEC  A1004 (-3.9A)
HEC  A1004 ( 4.9A)
SO3  A 526 (-4.6A)
None
 1.13A 1dmiA-3ttbA:
undetectable
1dmiB-3ttbA:
undetectable		 1dmiA-3ttbA:
21.88
1dmiB-3ttbA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		4 SER A  44
VAL A  42
ALA A  53
GLU A  45
 None
 1.12A 1dmiA-3wyeA:
undetectable
1dmiB-3wyeA:
undetectable		 1dmiA-3wyeA:
18.68
1dmiB-3wyeA:
18.68
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		4 SER A 801
VAL A 803
ALA A 785
GLU A 800
 None
 1.06A 1dmiA-3zdrA:
undetectable
1dmiB-3zdrA:
undetectable		 1dmiA-3zdrA:
21.16
1dmiB-3zdrA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 SER A 164
VAL A 166
TRP A 165
PHE A 158
 None
 0.95A 1dmiA-3zq6A:
undetectable
1dmiB-3zq6A:
undetectable		 1dmiA-3zq6A:
20.97
1dmiB-3zq6A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 VAL A  84
ARG A 132
ALA A 125
GLU A  87
 None
 1.04A 1dmiA-3zq6A:
undetectable
1dmiB-3zq6A:
undetectable		 1dmiA-3zq6A:
20.97
1dmiB-3zq6A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 4 SER A 524
ARG A 286
ALA A  37
PHE A  32
 None
 1.04A 1dmiA-4btpA:
undetectable
1dmiB-4btpA:
undetectable		 1dmiA-4btpA:
20.85
1dmiB-4btpA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci6 PROTEIN KINASE YOPO

(Yersinia
enterocolitica) 		PF00069
(Pkinase)
PF09632
(Rac1) 		4 SER B 628
ALA B 630
TRP B 629
PHE B 683
 None
 0.99A 1dmiA-4ci6B:
undetectable
1dmiB-4ci6B:
undetectable		 1dmiA-4ci6B:
22.46
1dmiB-4ci6B:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		4 VAL A 203
ALA A  19
PHE A 156
GLU A 207
 None
 1.07A 1dmiA-4ckbA:
undetectable
1dmiB-4ckbA:
undetectable		 1dmiA-4ckbA:
19.91
1dmiB-4ckbA:
19.91
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 SER A 172
ALA A 176
PHE A 187
GLU A 188
 None
 1.12A 1dmiA-4da9A:
undetectable
1dmiB-4da9A:
undetectable		 1dmiA-4da9A:
22.78
1dmiB-4da9A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0j NON-STRUCTURAL
PROTEIN 2

(Rotavirus A) 		PF02509
(Rota_NS35) 		4 SER A 232
VAL A 229
ARG A 240
ALA A 235
 None
 1.02A 1dmiA-4g0jA:
undetectable
1dmiB-4g0jA:
undetectable		 1dmiA-4g0jA:
20.85
1dmiB-4g0jA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 SER A 390
VAL A 392
ARG A 278
PHE A 384
 None
None
None
HEM  A 501 (-4.0A)
 0.87A 1dmiA-4gs1A:
undetectable
1dmiB-4gs1A:
undetectable		 1dmiA-4gs1A:
20.76
1dmiB-4gs1A:
20.76
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.
4h5s CELL ADHESION
MOLECULE 1

(Homo sapiens) 		PF07686
(V-set) 		4 VAL B  96
ARG B  52
ALA B  16
GLU B  75
 None
 1.04A 1dmiA-4h5sB:
undetectable
1dmiB-4h5sB:
undetectable		 1dmiA-4h5sB:
13.98
1dmiB-4h5sB:
13.98
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.
4hk0 UCA LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B 107
ARG B  60
ALA B  18
GLU B  82
 None
 0.94A 1dmiA-4hk0B:
undetectable
1dmiB-4hk0B:
undetectable		 1dmiA-4hk0B:
20.41
1dmiB-4hk0B:
20.41
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 SER A 921
VAL A 919
ARG A  82
ALA A 105
 None
 1.13A 1dmiA-4iglA:
undetectable
1dmiB-4iglA:
undetectable		 1dmiA-4iglA:
15.77
1dmiB-4iglA:
15.77
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.
4iml CROSSED LIGHT CHAIN
(VL-CH1)

(Homo sapiens) 		no annotation 4 VAL L 107
ARG L  60
ALA L  18
GLU L  82
 None
 0.88A 1dmiA-4imlL:
undetectable
1dmiB-4imlL:
undetectable		 1dmiA-4imlL:
17.00
1dmiB-4imlL:
17.00
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.
4jpb CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF01584
(CheW) 		4 SER A 568
ARG A 594
ALA A 612
GLU A 609
 None
 1.06A 1dmiA-4jpbA:
undetectable
1dmiB-4jpbA:
undetectable		 1dmiA-4jpbA:
20.91
1dmiB-4jpbA:
20.91
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.
4jy4 PGT121 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL A 106
ARG A  61
ALA A  19
GLU A  83
 None
None
None
GOL  A 301 (-3.9A)
 0.91A 1dmiA-4jy4A:
undetectable
1dmiB-4jy4A:
undetectable		 1dmiA-4jy4A:
20.18
1dmiB-4jy4A:
20.18
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.
4ktd GE136 LIGHT CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 106
ARG L  61
ALA L  19
GLU L  83
 None
None
None
GOL  L 303 (-2.7A)
 0.84A 1dmiA-4ktdL:
undetectable
1dmiB-4ktdL:
undetectable		 1dmiA-4ktdL:
21.97
1dmiB-4ktdL:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		4 VAL A 292
ALA A 322
TRP A 216
PHE A 316
 None
 1.13A 1dmiA-4l6uA:
undetectable
1dmiB-4l6uA:
undetectable		 1dmiA-4l6uA:
21.27
1dmiB-4l6uA:
21.27
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.
4pbv PROTEIN-TYROSINE
PHOSPHATASE
CRYPALPHA1 ISOFORM

(Gallus gallus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 VAL C 123
ARG C  76
ALA C  49
GLU C 101
 None
 1.12A 1dmiA-4pbvC:
undetectable
1dmiB-4pbvC:
undetectable		 1dmiA-4pbvC:
20.69
1dmiB-4pbvC:
20.69
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.
4pwv P450 MONOOXYGENASE

(Streptomyces
sp. Acta 2897) 		PF00067
(p450) 		4 SER A 259
ARG A 289
ALA A 291
TRP A 290
 None
 1.10A 1dmiA-4pwvA:
undetectable
1dmiB-4pwvA:
undetectable		 1dmiA-4pwvA:
24.26
1dmiB-4pwvA:
24.26
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		4 VAL A 377
ALA A 392
PHE A 394
GLU A 372
 None
 1.09A 1dmiA-4q22A:
undetectable
1dmiB-4q22A:
undetectable		 1dmiA-4q22A:
21.41
1dmiB-4q22A:
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.11A 1dmiA-4u3vA:
undetectable
1dmiB-4u3vA:
undetectable		 1dmiA-4u3vA:
19.43
1dmiB-4u3vA:
19.43
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		4 VAL A 178
ALA A  98
TRP A 187
GLU A 181
 None
 1.11A 1dmiA-4unrA:
undetectable
1dmiB-4unrA:
undetectable		 1dmiA-4unrA:
19.73
1dmiB-4unrA:
19.73
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.
4uw9 BETA-PHOSPHOGLUCOMUT
ASE

(Pyrococcus sp.
ST04) 		PF13419
(HAD_2) 		4 SER A 137
VAL A 133
ALA A 128
PHE A 142
 None
 0.93A 1dmiA-4uw9A:
undetectable
1dmiB-4uw9A:
undetectable		 1dmiA-4uw9A:
18.97
1dmiB-4uw9A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 ARG A 549
ALA A 544
TRP A 159
PHE A 181
 None
 1.03A 1dmiA-4wisA:
undetectable
1dmiB-4wisA:
undetectable		 1dmiA-4wisA:
18.79
1dmiB-4wisA:
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.
4y61 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		4 VAL A 122
ARG A  75
ALA A  48
GLU A 100
 None
 1.08A 1dmiA-4y61A:
undetectable
1dmiB-4y61A:
undetectable		 1dmiA-4y61A:
22.43
1dmiB-4y61A:
22.43
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.
4yfg RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		no annotation 4 VAL B 122
ARG B  75
ALA B  48
GLU B 100
 None
 1.01A 1dmiA-4yfgB:
undetectable
1dmiB-4yfgB:
undetectable		 1dmiA-4yfgB:
22.53
1dmiB-4yfgB:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0x ANTIBODY HC26AM
LIGHT CHAIN VARIABLE
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 105
ARG A  60
ALA A  18
GLU A  82
 None
 1.11A 1dmiA-4z0xA:
undetectable
1dmiB-4z0xA:
undetectable		 1dmiA-4z0xA:
15.09
1dmiB-4z0xA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 4 SER C 170
VAL C 194
ALA C 174
GLU C 169
 None
 1.10A 1dmiA-4zngC:
undetectable
1dmiB-4zngC:
undetectable		 1dmiA-4zngC:
22.10
1dmiB-4zngC:
22.10
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.
5b6t GLYCOSYL HYDROLASE
FAMILY 62 PROTEIN

(Coprinopsis
cinerea) 		PF03664
(Glyco_hydro_62) 		4 SER A 137
VAL A 121
ALA A 147
PHE A 149
 GOL  A 504 (-2.8A)
None
GOL  A 504 ( 4.5A)
None
 1.04A 1dmiA-5b6tA:
undetectable
1dmiB-5b6tA:
undetectable		 1dmiA-5b6tA:
20.48
1dmiB-5b6tA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 134
VAL A 532
ALA A 159
PHE A 153
 None
 1.08A 1dmiA-5chcA:
undetectable
1dmiB-5chcA:
undetectable		 1dmiA-5chcA:
19.91
1dmiB-5chcA:
19.91
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		4 VAL A  89
ARG A 147
ALA A 140
GLU A 129
 None
 1.11A 1dmiA-5diyA:
undetectable
1dmiB-5diyA:
undetectable		 1dmiA-5diyA:
22.30
1dmiB-5diyA:
22.30
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.
5dud YBGJ
YBGK

(Escherichia
coli) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 VAL B  44
ARG A 292
ALA B  13
GLU B  45
 None
 1.00A 1dmiA-5dudB:
undetectable
1dmiB-5dudB:
undetectable		 1dmiA-5dudB:
20.09
1dmiB-5dudB:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei) 		PF00121
(TIM) 		4 VAL A  42
ALA A 236
TRP A  13
PHE A  28
 None
 1.10A 1dmiA-5eywA:
undetectable
1dmiB-5eywA:
undetectable		 1dmiA-5eywA:
18.79
1dmiB-5eywA:
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.
5feb SODIUM CHANNEL
SUBUNIT BETA-2

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A 146
ARG A  98
ALA A  46
GLU A 122
 None
 1.07A 1dmiA-5febA:
undetectable
1dmiB-5febA:
undetectable		 1dmiA-5febA:
13.53
1dmiB-5febA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmr INTRAFLAGELLAR
TRANSPORT PROTEIN
COMPONENT IFT52

(Chlamydomonas
reinhardtii) 		PF09822
(ABC_transp_aux) 		4 VAL A 180
ALA A 229
TRP A 235
PHE A 183
 None
 1.10A 1dmiA-5fmrA:
undetectable
1dmiB-5fmrA:
undetectable		 1dmiA-5fmrA:
21.33
1dmiB-5fmrA:
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.
5gjn LYSINE/ORNITHINE
DECARBOXYLASE

(Selenomonas
ruminantium) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 SER A  73
VAL A  71
ALA A 104
GLU A  76
 None
 0.81A 1dmiA-5gjnA:
undetectable
1dmiB-5gjnA:
undetectable		 1dmiA-5gjnA:
20.13
1dmiB-5gjnA:
20.13
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.
5gs0 LIGHT CHAIN
(ANTI-TLR3)

(Mus musculus) 		PF07686
(V-set) 		4 VAL C 106
ARG C  60
ALA C  18
GLU C  82
 None
 0.99A 1dmiA-5gs0C:
undetectable
1dmiB-5gs0C:
undetectable		 1dmiA-5gs0C:
13.83
1dmiB-5gs0C:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j13 ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B 110
ARG B  63
ALA B  21
GLU B  85
 None
None
None
SO4  B 301 (-3.2A)
 0.99A 1dmiA-5j13B:
undetectable
1dmiB-5j13B:
undetectable		 1dmiA-5j13B:
19.27
1dmiB-5j13B:
19.27
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 SER A 113
VAL A 111
ALA A 169
GLU A 114
 None
 0.88A 1dmiA-5jryA:
undetectable
1dmiB-5jryA:
undetectable		 1dmiA-5jryA:
21.88
1dmiB-5jryA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.03A 1dmiA-5jseA:
undetectable
1dmiB-5jseA:
undetectable		 1dmiA-5jseA:
19.58
1dmiB-5jseA:
19.58
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 SER A 146
ARG A 551
ALA A 544
PHE A 150
 None
 1.03A 1dmiA-5jxkA:
undetectable
1dmiB-5jxkA:
undetectable		 1dmiA-5jxkA:
20.36
1dmiB-5jxkA:
20.36
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.09A 1dmiA-5m8tA:
undetectable
1dmiB-5m8tA:
undetectable		 1dmiA-5m8tA:
21.55
1dmiB-5m8tA:
21.55
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.
5mxb CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN

(Lupinus luteus) 		no annotation 4 SER A 148
ALA A  33
PHE A 142
GLU A 147
 None
None
ML1  A 222 (-4.3A)
None
 1.06A 1dmiA-5mxbA:
undetectable
1dmiB-5mxbA:
undetectable		 1dmiA-5mxbA:
11.25
1dmiB-5mxbA:
11.25
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 4 ARG A 268
ALA A 285
PHE A 264
GLU A 293
 None
 1.08A 1dmiA-5tnuA:
undetectable
1dmiB-5tnuA:
undetectable		 1dmiA-5tnuA:
22.77
1dmiB-5tnuA:
22.77
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.
5ubc PROTEIN TOC75-3,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 SER A 246
ALA A 322
PHE A 243
GLU A 223
 None
 0.95A 1dmiA-5ubcA:
undetectable
1dmiB-5ubcA:
undetectable		 1dmiA-5ubcA:
19.56
1dmiB-5ubcA:
19.56
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.
5uv6 OPIOID-BINDING
PROTEIN/CELL
ADHESION MOLECULE

(Homo sapiens) 		no annotation 4 VAL A 132
ARG A  87
ALA A  53
GLU A 110
 None
NAG  A1001 ( 4.1A)
None
None
 1.05A 1dmiA-5uv6A:
undetectable
1dmiB-5uv6A:
undetectable		 1dmiA-5uv6A:
10.73
1dmiB-5uv6A:
10.73
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.
5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 SER A 140
VAL A 138
ALA A 181
GLU A 143
 None
 0.97A 1dmiA-5vxcA:
undetectable
1dmiB-5vxcA:
undetectable		 1dmiA-5vxcA:
20.17
1dmiB-5vxcA:
20.17
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.02A 1dmiA-5vyoA:
undetectable
1dmiB-5vyoA:
undetectable		 1dmiA-5vyoA:
10.31
1dmiB-5vyoA:
10.31
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.
5wb5 PUTATIVE EUKARYOTIC
TRANSLATION
INITIATION FACTOR
EIF-4E

(Leishmania
major) 		no annotation 4 SER A  49
VAL A  47
PHE A  54
GLU A  52
 None
 1.05A 1dmiA-5wb5A:
undetectable
1dmiB-5wb5A:
undetectable		 1dmiA-5wb5A:
11.76
1dmiB-5wb5A:
11.76
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.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 SER A 224
ARG A  24
TRP A 219
GLU A 222
 None
 1.10A 1dmiA-5wlyA:
undetectable
1dmiB-5wlyA:
undetectable		 1dmiA-5wlyA:
10.73
1dmiB-5wlyA:
10.73
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 0.96A 1dmiA-5xyic:
undetectable
1dmiB-5xyic:
undetectable		 1dmiA-5xyic:
12.80
1dmiB-5xyic:
12.80
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 ARG A  67
ALA A 191
PHE A  89
GLU A  84
 None
 1.07A 1dmiA-6etzA:
undetectable
1dmiB-6etzA:
undetectable		 1dmiA-6etzA:
10.99
1dmiB-6etzA:
10.99
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.
6f9g METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
MCPU

(Pseudomonas
putida) 		no annotation 4 VAL A 306
ALA A 267
TRP A 304
PHE A  73
 None
 0.95A 1dmiA-6f9gA:
undetectable
1dmiB-6f9gA:
undetectable		 1dmiA-6f9gA:
12.16
1dmiB-6f9gA:
12.16