SIMILAR PATTERNS OF AMINO ACIDS FOR 3OND_B_ADNB507_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.
1c7k ZINC ENDOPROTEASE

(Streptomyces
caespitosus) 		PF02031
(Peptidase_M7) 		3 GLN A  56
THR A  57
LEU A  67
 None
 0.74A 3ondB-1c7kA:
undetectable		 3ondB-1c7kA:
13.12
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		3 GLN A 204
THR A 205
LEU A 332
 None
 0.58A 3ondB-1e5dA:
undetectable		 3ondB-1e5dA:
24.30
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		3 GLN A 267
THR A 266
LEU A 398
 None
 0.76A 3ondB-1jmoA:
undetectable		 3ondB-1jmoA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLN X 123
THR X 124
LEU X 304
 None
 0.71A 3ondB-1jpdX:
3.3		 3ondB-1jpdX:
22.62
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.
1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD

(Salmonella
enterica) 		PF01487
(DHquinase_I) 		3 GLN A 192
THR A 188
LEU A 249
 None
 0.67A 3ondB-1l9wA:
undetectable		 3ondB-1l9wA:
21.01
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		3 GLN A 683
THR A 682
LEU A 700
 None
 0.67A 3ondB-1ofeA:
undetectable		 3ondB-1ofeA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		3 GLN A 198
THR A 195
LEU A 126
 None
 0.71A 3ondB-1og6A:
undetectable		 3ondB-1og6A:
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.
1ogy DIHEME CYTOCHROME C
NAPB MOLECULE:
NITRATE REDUCTASE
PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF03892
(NapB)
PF04879
(Molybdop_Fe4S4) 		3 GLN B 105
THR B 106
LEU A 706
 None
 0.64A 3ondB-1ogyB:
undetectable		 3ondB-1ogyB:
14.51
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.
1p4p OUTER SURFACE
PROTEIN B

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		3 GLN A 270
THR A 255
LEU A 291
 None
 0.73A 3ondB-1p4pA:
undetectable		 3ondB-1p4pA:
17.29
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		3 GLN A 184
THR A 180
LEU A 384
 None
 0.75A 3ondB-1pl0A:
undetectable		 3ondB-1pl0A:
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		3 GLN A 185
THR A 184
LEU A   8
 None
 0.66A 3ondB-1qwrA:
undetectable		 3ondB-1qwrA:
23.59
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN C
CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		3 GLN A 208
THR A 202
LEU C 176
 None
 0.68A 3ondB-1sr4A:
undetectable		 3ondB-1sr4A:
19.05
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 GLN A 328
THR A 329
LEU A 341
 None
 0.57A 3ondB-1tezA:
undetectable		 3ondB-1tezA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		3 GLN A 465
THR A 470
LEU A 448
 None
 0.70A 3ondB-1wleA:
undetectable		 3ondB-1wleA:
22.69
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		3 GLN A  63
THR A  75
LEU A 106
 MG  A 506 ( 4.5A)
None
None
 0.63A 3ondB-2dqbA:
undetectable		 3ondB-2dqbA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		3 GLN B 202
THR B 201
LEU B  50
 None
 0.62A 3ondB-2fpgB:
4.1		 3ondB-2fpgB:
22.97
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.
2k0m UNCHARACTERIZED
PROTEIN

(Rhodospirillum
rubrum) 		PF11523
(DUF3223) 		3 GLN A  76
THR A  75
LEU A  21
 None
 0.64A 3ondB-2k0mA:
undetectable		 3ondB-2k0mA:
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.
2l5p LIPOCALIN 12

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		3 GLN A 181
THR A 178
LEU A 160
 None
 0.73A 3ondB-2l5pA:
undetectable		 3ondB-2l5pA:
16.94
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.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		3 GLN A  68
THR A  69
LEU A  93
 None
 0.66A 3ondB-2nozA:
undetectable		 3ondB-2nozA:
22.94
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.
2o1m PROBABLE AMINO-ACID
ABC TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YTMK

(Bacillus
subtilis) 		PF00497
(SBP_bac_3) 		3 GLN A 166
THR A 163
LEU A 123
 None
 0.72A 3ondB-2o1mA:
undetectable		 3ondB-2o1mA:
17.54
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.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		3 GLN A  40
THR A  54
LEU A  93
 EDO  A 502 (-4.1A)
None
None
 0.66A 3ondB-2q14A:
undetectable		 3ondB-2q14A:
23.11
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.
2uzp PROTEIN KINASE C
GAMMA TYPE

(Homo sapiens) 		PF00168
(C2) 		3 GLN A 210
THR A 208
LEU A 266
 None
 0.61A 3ondB-2uzpA:
undetectable		 3ondB-2uzpA:
13.49
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		3 GLN A 313
THR A 311
LEU A 405
 None
 0.76A 3ondB-2v40A:
undetectable		 3ondB-2v40A:
23.06
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.
2vk4 PYRUVATE
DECARBOXYLASE

(Kluyveromyces
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 GLN A 397
THR A 398
LEU A 540
 None
 0.75A 3ondB-2vk4A:
3.2		 3ondB-2vk4A:
22.99
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		3 GLN A 416
THR A 424
LEU A 409
 None
 0.72A 3ondB-2x2iA:
undetectable		 3ondB-2x2iA:
18.60
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		3 GLN A  58
THR A  57
LEU A 209
 None
None
GOL  A   7 (-4.5A)
 0.76A 3ondB-2zwiA:
3.4		 3ondB-2zwiA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be4 ADENYLATE KINASE

(Cryptosporidium
parvum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		3 GLN A 183
THR A 184
LEU A  70
 None
 0.75A 3ondB-3be4A:
undetectable		 3ondB-3be4A:
18.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  73
THR A  74
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 (-4.2A)
 0.75A 3ondB-3ce6A:
57.5		 3ondB-3ce6A:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3deu TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		3 GLN A  32
THR A  31
LEU A  64
 None
 0.76A 3ondB-3deuA:
undetectable		 3ondB-3deuA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		3 GLN A 498
THR A 492
LEU A 466
 None
NXX  A 680 (-4.0A)
None
 0.56A 3ondB-3dlaA:
4.8		 3ondB-3dlaA:
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		3 GLN A  66
THR A  64
LEU A 227
 None
 0.63A 3ondB-3f4nA:
2.6		 3ondB-3f4nA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  56
THR A  57
LEU A 343
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 4.0A)
 0.70A 3ondB-3g1uA:
52.8		 3ondB-3g1uA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  66
THR A  67
LEU A 385
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 4.1A)
 0.62A 3ondB-3glqA:
56.9		 3ondB-3glqA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  56
THR A  57
LEU A 343
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-4.0A)
 0.31A 3ondB-3h9uA:
55.7		 3ondB-3h9uA:
59.96
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.
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)

(Homo sapiens) 		PF00702
(Hydrolase) 		3 GLN A 450
THR A 449
LEU A 315
 None
 0.55A 3ondB-3hb0A:
2.5		 3ondB-3hb0A:
21.99
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.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 3 GLN B 690
THR B 689
LEU B 453
 None
 0.72A 3ondB-3iz3B:
undetectable		 3ondB-3iz3B:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  59
THR A  60
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 (-4.3A)
 0.58A 3ondB-3n58A:
57.2		 3ondB-3n58A:
60.12
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.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		3 GLN A 271
THR A 107
LEU A 278
 None
 0.60A 3ondB-3n5lA:
undetectable		 3ondB-3n5lA:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  66
THR A  67
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-4.2A)
 0.34A 3ondB-3oneA:
62.7		 3ondB-3oneA:
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.
3p1w RABGDI PROTEIN

(Plasmodium
falciparum) 		PF00996
(GDI) 		3 GLN A 326
THR A 327
LEU A 385
 None
 0.66A 3ondB-3p1wA:
undetectable		 3ondB-3p1wA:
22.00
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		3 GLN A 118
THR A 116
LEU A   8
 None
 0.76A 3ondB-3qz3A:
undetectable		 3ondB-3qz3A:
16.98
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 GLN A 395
THR A 394
LEU A 373
 None
 0.64A 3ondB-3s4dA:
undetectable		 3ondB-3s4dA:
19.95
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		3 GLN A 147
THR A 146
LEU A 174
 None
BET  A 310 (-3.9A)
None
 0.76A 3ondB-3tmgA:
undetectable		 3ondB-3tmgA:
19.88
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		3 GLN A   5
THR A   4
LEU A  15
 None
 0.72A 3ondB-3ujhA:
3.2		 3ondB-3ujhA:
23.75
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 GLN A 304
THR A 305
LEU A   5
 None
 0.75A 3ondB-3urhA:
3.8		 3ondB-3urhA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		3 GLN A 494
THR A 490
LEU A 777
 None
 0.64A 3ondB-4a0hA:
undetectable		 3ondB-4a0hA:
21.79
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.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		3 GLN A  31
THR A  30
LEU A  63
 None
 0.65A 3ondB-4aijA:
undetectable		 3ondB-4aijA:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 GLN A1216
THR A1217
LEU A1227
 None
 0.70A 3ondB-4amcA:
undetectable		 3ondB-4amcA:
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 GLN A 351
THR A 352
LEU A 374
 None
 0.65A 3ondB-4cokA:
undetectable		 3ondB-4cokA:
23.14
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.
4crm TRANSLATION
INITIATION FACTOR
RLI1

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		3 GLN P 127
THR P 118
LEU P 131
 None
ATP  P1609 (-3.6A)
None
 0.76A 3ondB-4crmP:
undetectable		 3ondB-4crmP:
21.74
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.
4d9o MEMBRANE-ASSOCIATED
PROTEIN VP24

(Reston
ebolavirus) 		PF06389
(Filo_VP24) 		3 GLN A  33
THR A  34
LEU A  94
 None
 0.29A 3ondB-4d9oA:
undetectable		 3ondB-4d9oA:
18.89
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		3 GLN B  68
THR B  69
LEU B  39
 None
 0.60A 3ondB-4g56B:
undetectable		 3ondB-4g56B:
21.19
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.
4gei THIOREDOXIN-INTERACT
ING PROTEIN

(Homo sapiens) 		PF00339
(Arrestin_N) 		3 GLN A 137
THR A 136
LEU A  76
 None
 0.75A 3ondB-4geiA:
undetectable		 3ondB-4geiA:
15.48
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.
4i0o PROTEIN ELYS

(Mus musculus) 		PF16687
(ELYS-bb) 		3 GLN A  53
THR A  19
LEU A 111
 None
 0.71A 3ondB-4i0oA:
undetectable		 3ondB-4i0oA:
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 GLN A 357
THR A 358
LEU A 370
 None
 0.67A 3ondB-4jzyA:
undetectable		 3ondB-4jzyA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l6e E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00638
(Ran_BP1) 		3 GLN A3041
THR A2988
LEU A3020
 None
 0.64A 3ondB-4l6eA:
undetectable		 3ondB-4l6eA:
16.77
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.
4ll1 THIOREDOXIN-INTERACT
ING PROTEIN

(Homo sapiens) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		3 GLN A 232
THR A 231
LEU A 294
 None
 0.76A 3ondB-4ll1A:
undetectable		 3ondB-4ll1A:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  62
THR A  63
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 3.9A)
 0.11A 3ondB-4lvcA:
57.1		 3ondB-4lvcA:
62.65
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.
4m0q MEMBRANE-ASSOCIATED
PROTEIN VP24

(Zaire
ebolavirus) 		PF06389
(Filo_VP24) 		3 GLN A  33
THR A  34
LEU A  94
 None
 0.58A 3ondB-4m0qA:
undetectable		 3ondB-4m0qA:
20.28
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.
4m6f DNA-INVERTASE

(Escherichia
virus Mu) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		3 GLN A  18
THR A  15
LEU A  45
 None
 0.65A 3ondB-4m6fA:
undetectable		 3ondB-4m6fA:
18.14
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF02934
(GatB_N) 		3 GLN B 121
THR B 120
LEU B 151
 None
 0.65A 3ondB-4n0iB:
undetectable		 3ondB-4n0iB:
20.12
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.
4ok0 PUTATIVE

(Helicobacter
pylori) 		PF08843
(AbiEii) 		3 GLN A 108
THR A 101
LEU A  12
 None
 0.76A 3ondB-4ok0A:
undetectable		 3ondB-4ok0A:
20.57
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.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		3 GLN A 144
THR A  99
LEU A 111
 None
 0.61A 3ondB-4owtA:
undetectable		 3ondB-4owtA:
20.49
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.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Chitinophaga
pinensis) 		PF00561
(Abhydrolase_1) 		3 GLN A  40
THR A  45
LEU A 178
 None
 0.72A 3ondB-4pw0A:
3.9		 3ondB-4pw0A:
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.
4r9o PUTATIVE ALDO/KETO
REDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		3 GLN A 198
THR A 195
LEU A 126
 None
 0.62A 3ondB-4r9oA:
undetectable		 3ondB-4r9oA:
23.19
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.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		3 GLN A  48
THR A  47
LEU A  61
 None
 0.51A 3ondB-4rpaA:
undetectable		 3ondB-4rpaA:
23.65
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		3 GLN A 223
THR A 222
LEU A 194
 1PE  A 908 (-3.8A)
None
None
 0.60A 3ondB-4s38A:
undetectable		 3ondB-4s38A:
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 3 GLN B  18
THR B  17
LEU B  54
 None
 0.74A 3ondB-4tsdB:
undetectable		 3ondB-4tsdB:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ui9 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin) 		3 GLN N 437
THR N 434
LEU N 386
 None
 0.68A 3ondB-4ui9N:
undetectable		 3ondB-4ui9N:
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.
4wnq TCR VARIABLE DELTA 1
CHAIN AND TCR
CONSTANT ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 GLN A 155
THR A 156
LEU A 174
 None
 0.75A 3ondB-4wnqA:
undetectable		 3ondB-4wnqA:
17.01
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.
4xa9 GALA PROTEIN TYPE 1,
3 OR 4

(Legionella
pneumophila) 		PF13516
(LRR_6) 		3 GLN A  39
THR A  66
LEU A   3
 None
 0.68A 3ondB-4xa9A:
undetectable		 3ondB-4xa9A:
24.02
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.
4zb6 PCURE2P4

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 GLN A  80
THR A  79
LEU A 161
 None
 0.69A 3ondB-4zb6A:
undetectable		 3ondB-4zb6A:
18.31
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.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53
LIGHT CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN L 124
THR L 129
LEU H 174
 None
 0.74A 3ondB-4ztpL:
undetectable		 3ondB-4ztpL:
16.98
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin)
PF08672
(ANAPC2) 		3 GLN N 437
THR N 434
LEU N 386
 None
 0.68A 3ondB-5a31N:
undetectable		 3ondB-5a31N:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		3 GLN 6 272
THR 6 274
LEU 6 263
 None
 0.75A 3ondB-5ady6:
undetectable		 3ondB-5ady6:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dd5 ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN L 124
THR L 129
LEU H 175
 None
 0.71A 3ondB-5dd5L:
undetectable		 3ondB-5dd5L:
17.43
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.
5e9u GLYCOSYLTRANSFERASE-
STABILIZING PROTEIN
GTF2

(Streptococcus
gordonii) 		no annotation 3 GLN B 244
THR B 243
LEU B 441
 None
 0.71A 3ondB-5e9uB:
4.2		 3ondB-5e9uB:
23.02
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		3 GLN A 273
THR A 274
LEU A 241
 None
 0.67A 3ondB-5ej1A:
undetectable		 3ondB-5ej1A:
21.39
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.
5ets 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE

(Staphylococcus
aureus) 		no annotation 3 GLN B  62
THR B  63
LEU B  99
 None
 0.71A 3ondB-5etsB:
undetectable		 3ondB-5etsB:
17.42
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.
5g23 TYPE-IV LIKE PILIN
TTHA1219

(Thermus
thermophilus) 		no annotation 3 GLN A 230
THR A 231
LEU A 205
 None
 0.54A 3ondB-5g23A:
undetectable		 3ondB-5g23A:
20.99
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 3 GLN Y 593
THR Y 592
LEU Y 563
 None
 0.67A 3ondB-5gaiY:
undetectable		 3ondB-5gaiY:
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.
5ig8 ATP GRASP LIGASE

(Microcystis
aeruginosa) 		no annotation 3 GLN A 217
THR A 288
LEU A 261
 None
 0.75A 3ondB-5ig8A:
undetectable		 3ondB-5ig8A:
21.25
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.
5j12 THYMIC STROMAL
LYMPHOPOIETIN

(Homo sapiens) 		PF15216
(TSLP) 		3 GLN A 117
THR A 116
LEU A  76
 None
 0.73A 3ondB-5j12A:
undetectable		 3ondB-5j12A:
15.78
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		3 GLN A 174
THR A 171
LEU A 292
 None
 0.61A 3ondB-5jjcA:
3.6		 3ondB-5jjcA:
24.54
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.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		no annotation 3 GLN B 521
THR B 520
LEU B 585
 None
 0.50A 3ondB-5kenB:
undetectable		 3ondB-5kenB:
12.81
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.
5kov CAPSID POLYPROTEIN
VP90

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		3 GLN A 481
THR A 593
LEU A 571
 None
 0.67A 3ondB-5kovA:
undetectable		 3ondB-5kovA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tir SUPEROXIDE DISMUTASE

(Trichoderma
reesei) 		no annotation 3 GLN A 195
THR A 192
LEU A 208
 None
 0.52A 3ondB-5tirA:
undetectable		 3ondB-5tirA:
17.89
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		3 GLN R 227
THR R 274
LEU R 193
 None
 0.70A 3ondB-5uz7R:
undetectable		 3ondB-5uz7R:
20.57
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.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		3 GLN A1186
THR A1185
LEU A 521
 None
 0.72A 3ondB-5welA:
undetectable		 3ondB-5welA:
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		3 GLN A 796
THR A 797
LEU A 894
 None
 0.66A 3ondB-5x59A:
undetectable		 3ondB-5x59A:
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 3 GLN A  21
THR A  20
LEU A 572
 None
 0.76A 3ondB-5y9dA:
undetectable		 3ondB-5y9dA:
9.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 GLN A  62
THR A  63
LEU A 349
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 4.3A)
 0.73A 3ondB-6aphA:
38.7		 3ondB-6aphA:
57.96
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.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 3 GLN A 464
THR A 470
LEU A 444
 None
 0.76A 3ondB-6bljA:
undetectable		 3ondB-6bljA:
10.36
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.
6bnl NKT VALPHA14 (MOUSE)
- 2C12 TCR - HYBRID
MOUSE VARIABLE AND
HUMAN CONSTANT
DOMAINS

(Homo sapiens) 		no annotation 3 GLN C   2
THR C   1
LEU C  32
 None
 0.72A 3ondB-6bnlC:
undetectable		 3ondB-6bnlC:
10.82
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY
CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 3 GLN M 218
THR M 216
LEU A  54
 None
 0.67A 3ondB-6c66M:
undetectable		 3ondB-6c66M:
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.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 3 GLN A 194
THR A 193
LEU A 256
 None
 0.54A 3ondB-6c8vA:
undetectable		 3ondB-6c8vA:
9.87
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 3 GLN A  96
THR A  97
LEU A  77
 None
 0.61A 3ondB-6chkA:
4.0		 3ondB-6chkA:
10.74
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.
6ezn DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT WBP1

(Saccharomyces
cerevisiae) 		no annotation 3 GLN G 214
THR G 210
LEU G 192
 None
 0.75A 3ondB-6eznG:
2.2		 3ondB-6eznG:
8.66
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.
6f3m -

(-) 		no annotation 3 GLN B  65
THR B  66
LEU B 373
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 3.9A)
 0.21A 3ondB-6f3mB:
28.8		 3ondB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 3 GLN A  60
THR A  61
LEU A 347
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 (-3.9A)
 0.17A 3ondB-6gbnA:
37.6		 3ondB-6gbnA:
undetectable