SIMILAR PATTERNS OF AMINO ACIDS FOR 2ROX_B_T44B128_1

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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 139
ALA A 303
LEU A  24
THR A  26
 None
 1.05A 2roxB-1a1sA:
undetectable		 2roxB-1a1sA:
15.53
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.
1b48 PROTEIN (GLUTATHIONE
S-TRANSFERASE)

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A 161
GLU A 168
ALA A 163
THR A  99
 None
 1.01A 2roxB-1b48A:
undetectable		 2roxB-1b48A:
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.
1dof ADENYLOSUCCINATE
LYASE

(Pyrobaculum
aerophilum) 		PF00206
(Lyase_1) 		4 GLU A 174
ALA A 105
LEU A 107
THR A 102
 None
 1.09A 2roxB-1dofA:
undetectable		 2roxB-1dofA:
15.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		5 LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
 None
 0.57A 2roxB-1gkeA:
21.0		 2roxB-1gkeA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		5 LYS A  15
GLU A  54
ALA A 108
LEU A 110
THR A 119
 None
 0.64A 2roxB-1gkeA:
21.0		 2roxB-1gkeA:
83.33
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  94
ALA A  90
LEU A  96
THR A  87
 None
 0.99A 2roxB-1j0aA:
undetectable		 2roxB-1j0aA:
19.46
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 LYS A 361
LEU A 357
ALA A 360
THR A 352
 None
 0.97A 2roxB-1jmyA:
0.0		 2roxB-1jmyA:
12.64
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 LEU A 585
ALA A 291
LEU A 293
THR A 305
 None
 0.89A 2roxB-1k25A:
undetectable		 2roxB-1k25A:
10.80
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		4 GLU A 365
ALA A 322
LEU A 319
THR A 321
 None
 1.09A 2roxB-1li7A:
undetectable		 2roxB-1li7A:
13.52
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 LEU A1018
ALA A1023
LEU A1025
THR A1060
 None
 1.09A 2roxB-1lurA:
0.0		 2roxB-1lurA:
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 LEU B 344
ALA B 341
LEU B 339
THR B 102
 None
 0.99A 2roxB-1p3wB:
undetectable		 2roxB-1p3wB:
15.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sn2 TRANSTHYRETIN

(Sparus aurata) 		PF00576
(Transthyretin) 		6 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
 None
 0.62A 2roxB-1sn2A:
21.0		 2roxB-1sn2A:
54.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus) 		PF00576
(Transthyretin) 		6 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
 None
 0.62A 2roxB-1tfpA:
18.8		 2roxB-1tfpA:
73.85
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 LYS A 324
LEU A 285
GLU A 327
ALA A 323
 None
 0.96A 2roxB-1ufaA:
undetectable		 2roxB-1ufaA:
14.63
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A 214
GLU A 258
ALA A 200
THR A 169
 None
 1.08A 2roxB-1ukwA:
undetectable		 2roxB-1ukwA:
21.30
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.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 None
 0.66A 2roxB-1uunA:
undetectable		 2roxB-1uunA:
22.83
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.
1vf1 GLUTATHIONE
S-TRANSFERASE 3

(Gallus gallus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A 161
GLU A 168
ALA A 163
THR A  99
 None
 1.07A 2roxB-1vf1A:
undetectable		 2roxB-1vf1A:
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.
1wgo VPS10
DOMAIN-CONTAINING
RECEPTOR SORCS2

(Homo sapiens) 		PF00801
(PKD) 		4 GLU A 110
ALA A 102
LEU A  79
THR A  62
 None
 1.08A 2roxB-1wgoA:
2.1		 2roxB-1wgoA:
20.42
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.
1wn2 PEPTIDYL-TRNA
HYDROLASE

(Pyrococcus
horikoshii) 		PF01981
(PTH2) 		4 LEU A 101
GLU A  76
ALA A  83
THR A  34
 None
 1.08A 2roxB-1wn2A:
undetectable		 2roxB-1wn2A:
23.40
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.
1xhk PUTATIVE PROTEASE LA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF05362
(Lon_C) 		4 LYS A 514
GLU A 518
ALA A 510
LEU A 507
 None
 1.03A 2roxB-1xhkA:
undetectable		 2roxB-1xhkA:
19.89
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.
1xmb IAA-AMINO ACID
HYDROLASE HOMOLOG 2

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LYS A  43
LEU A  39
ALA A  42
LEU A  38
 None
 1.04A 2roxB-1xmbA:
undetectable		 2roxB-1xmbA:
17.63
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		4 GLU A  30
ALA A 250
LEU A 337
THR A 209
 ACT  A 803 (-4.7A)
None
None
NMN  A1001 (-3.8A)
 1.07A 2roxB-1y1pA:
undetectable		 2roxB-1y1pA:
18.61
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 280
GLU A 276
ALA A 278
LEU A 281
 None
 0.99A 2roxB-2awaA:
undetectable		 2roxB-2awaA:
18.10
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.
2d2z CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 4

(Homo sapiens) 		PF13410
(GST_C_2) 		4 LEU A 191
ALA A 187
LEU A 192
THR A 185
 None
 1.06A 2roxB-2d2zA:
undetectable		 2roxB-2d2zA:
20.40
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.
2dk6 PARP11 PROTEIN

(Homo sapiens) 		PF02825
(WWE) 		4 LYS A  78
LEU A  89
GLU A  76
LEU A  25
 None
 0.93A 2roxB-2dk6A:
undetectable		 2roxB-2dk6A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		4 LEU A  94
GLU A 101
LEU A  16
THR A  32
 None
 0.87A 2roxB-2f02A:
undetectable		 2roxB-2f02A:
19.62
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 LEU A  83
GLU A  76
LEU A 115
THR A 274
 None
 0.61A 2roxB-2g8yA:
undetectable		 2roxB-2g8yA:
14.56
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 LEU A 289
ALA A 224
LEU A 226
THR A 234
 G1L  A 400 (-4.0A)
None
None
None
 1.01A 2roxB-2i80A:
undetectable		 2roxB-2i80A:
17.05
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.
2l09 ASR4154 PROTEIN

(Nostoc sp. PCC
7120) 		PF08369
(PCP_red) 		4 LYS A  12
ALA A   9
LEU A  44
THR A   6
 None
 1.06A 2roxB-2l09A:
undetectable		 2roxB-2l09A:
21.51
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.
2lfw NEPR ANTI SIGMA
FACTOR
PHYR SIGMA-LIKE
DOMAIN

(Sphingomonas
sp. Fr1) 		no annotation 4 LEU B  32
ALA A 106
LEU A 103
THR A 105
 None
 1.11A 2roxB-2lfwB:
undetectable		 2roxB-2lfwB:
20.39
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 GLU A 172
ALA A 188
LEU A 185
THR A 187
 None
 1.09A 2roxB-2okcA:
undetectable		 2roxB-2okcA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		4 GLU A  22
ALA A 135
LEU A 137
THR A 132
 None
SAH  A 301 ( 3.7A)
None
SAH  A 301 ( 3.5A)
 1.02A 2roxB-2pxxA:
undetectable		 2roxB-2pxxA:
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.
2r16 NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		4 LEU A 785
GLU A 803
LEU A 776
THR A 765
 None
 0.96A 2roxB-2r16A:
undetectable		 2roxB-2r16A:
21.02
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.
2r5g CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 2

(Homo sapiens) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 LEU A 186
ALA A 182
LEU A 187
THR A 180
 None
 1.05A 2roxB-2r5gA:
undetectable		 2roxB-2r5gA:
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.
2rcz TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ) 		4 LYS A 246
LEU A 242
ALA A 245
THR A 237
 None
 1.09A 2roxB-2rczA:
undetectable		 2roxB-2rczA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 LYS A 420
LEU A 417
ALA A 419
THR A 523
 None
 0.99A 2roxB-2v7gA:
undetectable		 2roxB-2v7gA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
 0.57A 2roxB-2v9uA:
2.9		 2roxB-2v9uA:
23.88
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		5 LEU A  49
GLU A 663
ALA A  38
LEU A  51
THR A  34
 None
 1.26A 2roxB-2w6dA:
undetectable		 2roxB-2w6dA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yof THYMIDYLATE KINASE

(Plasmodium
falciparum) 		PF02223
(Thymidylate_kin) 		4 LYS A   6
LEU A  89
GLU A 203
LEU A  88
 None
 1.08A 2roxB-2yofA:
undetectable		 2roxB-2yofA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 LEU B 585
ALA B 291
LEU B 293
THR B 305
 None
 0.90A 2roxB-2z2mB:
undetectable		 2roxB-2z2mB:
17.07
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.
2zkm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-2

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LYS X 124
GLU X 128
LEU X  96
THR X  98
 None
 1.02A 2roxB-2zkmX:
2.8		 2roxB-2zkmX:
10.37
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		4 LYS A 146
GLU A 149
ALA A 143
LEU A 119
 None
 1.01A 2roxB-2zzrA:
undetectable		 2roxB-2zzrA:
13.96
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.
3bin BAND 4.1-LIKE
PROTEIN 3

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 LYS A 266
GLU A 269
LEU A 225
THR A 260
 None
 1.06A 2roxB-3binA:
undetectable		 2roxB-3binA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		4 GLU A 113
ALA A 148
LEU A 145
THR A 147
 None
 0.90A 2roxB-3cwqA:
undetectable		 2roxB-3cwqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3daf 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		4 LEU A 337
ALA A 318
LEU A 315
THR A 317
 None
 1.07A 2roxB-3dafA:
undetectable		 2roxB-3dafA:
15.74
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LYS A 293
GLU A 292
ALA A 294
THR A 190
 None
 0.93A 2roxB-3eqqA:
undetectable		 2roxB-3eqqA:
14.82
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.
3f6o PROBABLE
TRANSCRIPTIONAL
REGULATOR, ARSR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF12840
(HTH_20) 		4 LEU A  27
GLU A  36
LEU A  24
THR A  19
 None
 1.05A 2roxB-3f6oA:
undetectable		 2roxB-3f6oA:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		6 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
None
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
 0.70A 2roxB-3fc8A:
22.2		 2roxB-3fc8A:
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.
3fy7 CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 3

(Homo sapiens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 LEU A 176
ALA A 172
LEU A 177
THR A 170
 None
 1.03A 2roxB-3fy7A:
undetectable		 2roxB-3fy7A:
20.34
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.
3gnn NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Burkholderia
pseudomallei) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 LEU A 124
GLU A  90
ALA A 128
THR A 131
 None
 1.08A 2roxB-3gnnA:
undetectable		 2roxB-3gnnA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 LEU A 573
GLU A 571
ALA A 566
THR A 369
 None
MG  A 202 (-3.8A)
None
None
 1.02A 2roxB-3gqcA:
undetectable		 2roxB-3gqcA:
13.10
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 577
ALA A 573
LEU A 578
THR A 569
 None
 1.11A 2roxB-3ho8A:
undetectable		 2roxB-3ho8A:
8.00
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.
3i7u AP4A HYDROLASE

(Aquifex
aeolicus) 		PF00293
(NUDIX) 		4 LYS A  81
GLU A  64
ALA A   7
THR A  43
 None
 1.02A 2roxB-3i7uA:
undetectable		 2roxB-3i7uA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A  88
ALA A 136
LEU A  95
THR A 135
 None
 1.03A 2roxB-3ijlA:
undetectable		 2roxB-3ijlA:
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.
3iox AGI/II

(Streptococcus
mutans) 		PF06696
(Strep_SA_rep)
PF08363
(GbpC) 		5 LYS A 642
LEU A 599
GLU A 601
LEU A 561
THR A 661
 None
 1.41A 2roxB-3ioxA:
undetectable		 2roxB-3ioxA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 LEU D  53
GLU D  62
ALA D  38
LEU D  42
 None
 1.01A 2roxB-3k70D:
undetectable		 2roxB-3k70D:
12.07
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.
3l8u PUTATIVE RRNA
METHYLASE

(Streptococcus
mutans) 		PF00588
(SpoU_methylase) 		5 LYS A 134
GLU A 133
ALA A 135
LEU A 115
THR A  94
 None
 1.30A 2roxB-3l8uA:
undetectable		 2roxB-3l8uA:
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.
3ltw ARYLAMINE
N-ACETYLTRANSFERASE
NAT

(Mycobacterium
marinum) 		PF00797
(Acetyltransf_2) 		4 LEU A 226
GLU A 235
LEU A 221
THR A 212
 None
 0.90A 2roxB-3ltwA:
undetectable		 2roxB-3ltwA:
18.77
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.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 704
LEU A 694
ALA A 719
THR A 766
 None
ITI  A   1 (-3.9A)
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
 1.10A 2roxB-3lzbA:
undetectable		 2roxB-3lzbA:
16.46
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 LEU B  26
ALA B  78
LEU B  75
THR B  77
 None
 1.08A 2roxB-3mbeB:
2.7		 2roxB-3mbeB:
17.62
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.
3mmt FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Bartonella
henselae) 		PF00274
(Glycolytic) 		5 LYS A 223
GLU A 178
ALA A 261
LEU A  12
THR A 290
 2FP  A 350 (-2.2A)
2FP  A 350 (-2.6A)
None
None
None
 1.19A 2roxB-3mmtA:
undetectable		 2roxB-3mmtA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 111
LEU A 113
LEU A 155
THR A 148
 SO4  A   5 (-2.8A)
None
None
SO4  A 369 (-3.7A)
 0.96A 2roxB-3nuuA:
undetectable		 2roxB-3nuuA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 LEU A 837
GLU A 844
ALA A 839
THR A 854
 None
 1.11A 2roxB-3o8oA:
undetectable		 2roxB-3o8oA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 LEU A 290
ALA A 286
LEU A 292
THR A 283
 EDO  A 491 (-4.2A)
None
None
None
 1.09A 2roxB-3peiA:
undetectable		 2roxB-3peiA:
13.07
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 LYS A 750
GLU A 753
ALA A 747
THR A 744
 None
 1.07A 2roxB-3pxiA:
undetectable		 2roxB-3pxiA:
9.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfo PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		4 LEU A  37
ALA A  61
LEU A  36
THR A  60
 None
 1.05A 2roxB-3qfoA:
undetectable		 2roxB-3qfoA:
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		4 GLU A  37
ALA A  30
LEU A  81
THR A  26
 FE  A 181 (-2.4A)
None
None
None
 0.99A 2roxB-3qhbA:
undetectable		 2roxB-3qhbA:
22.95
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		4 GLU A 242
ALA A 237
LEU A 233
THR A 275
 None
 0.91A 2roxB-3rc3A:
undetectable		 2roxB-3rc3A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 GLU A 201
ALA A 231
LEU A 220
THR A 232
 None
 1.11A 2roxB-3ry7A:
undetectable		 2roxB-3ry7A:
18.56
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.
3s3t NUCLEOTIDE-BINDING
PROTEIN, UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		4 LEU A  36
ALA A  83
LEU A  86
THR A  81
 None
 0.97A 2roxB-3s3tA:
undetectable		 2roxB-3s3tA:
22.44
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.
3sag EXOSOME COMPONENT 10

(Homo sapiens) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 396
ALA A 392
LEU A 398
THR A 389
 LEU  A 396 ( 0.6A)
ALA  A 392 ( 0.0A)
LEU  A 398 ( 0.6A)
THR  A 389 ( 0.8A)
 1.01A 2roxB-3sagA:
undetectable		 2roxB-3sagA:
14.59
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.
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus) 		PF01380
(SIS) 		4 LEU A 215
ALA A 233
LEU A 231
THR A 115
 None
 1.05A 2roxB-3shoA:
undetectable		 2roxB-3shoA:
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.
3swl CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 1

(Homo sapiens) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 LEU A 180
ALA A 176
LEU A 181
THR A 174
 None
 1.07A 2roxB-3swlA:
undetectable		 2roxB-3swlA:
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 240
ALA A 243
LEU A 239
THR A 187
 None
 1.04A 2roxB-3t6sA:
undetectable		 2roxB-3t6sA:
16.48
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.
3tqf HPR(SER) KINASE

(Coxiella
burnetii) 		PF07475
(Hpr_kinase_C) 		4 LYS A 141
LEU A 143
GLU A 132
LEU A 128
 None
 0.93A 2roxB-3tqfA:
undetectable		 2roxB-3tqfA:
19.46
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 LYS A  53
GLU A  41
ALA A  54
LEU A  66
 CA  A 201 ( 4.4A)
CA  A 201 (-2.5A)
None
None
 1.11A 2roxB-3tquA:
undetectable		 2roxB-3tquA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		4 LEU A 268
ALA A 266
LEU A 273
THR A 264
 None
 0.88A 2roxB-3uk2A:
undetectable		 2roxB-3uk2A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		4 LYS A 323
GLU A 283
ALA A 168
THR A  94
 None
 0.55A 2roxB-3ut3A:
undetectable		 2roxB-3ut3A:
17.63
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 LYS A 809
GLU A 804
ALA A 834
LEU A 798
 None
 1.11A 2roxB-3wqyA:
undetectable		 2roxB-3wqyA:
9.42
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 LEU A 124
GLU A  72
LEU A 104
THR A  76
 None
 0.99A 2roxB-4ad9A:
undetectable		 2roxB-4ad9A:
20.61
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.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		4 GLU A 103
ALA A 407
LEU A  96
THR A 405
 None
 1.03A 2roxB-4b2gA:
undetectable		 2roxB-4b2gA:
12.84
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 314
GLU A 270
ALA A 276
THR A 277
 None
 1.03A 2roxB-4b90A:
undetectable		 2roxB-4b90A:
13.10
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 314
GLU A 270
ALA A 276
THR A 277
 None
 1.06A 2roxB-4b92A:
undetectable		 2roxB-4b92A:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 LEU K 371
GLU K 408
ALA K 366
LEU K 368
 None
 1.11A 2roxB-4cr4K:
undetectable		 2roxB-4cr4K:
15.24
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.
4csq UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 GLU A  21
ALA A  17
LEU A  14
THR A  16
 None
 1.11A 2roxB-4csqA:
undetectable		 2roxB-4csqA:
22.06
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.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		4 LEU A 167
ALA A 195
LEU A 197
THR A 210
 None
None
None
CL  A1274 (-4.2A)
 0.73A 2roxB-4ctdA:
undetectable		 2roxB-4ctdA:
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		4 LYS A  61
LEU A  63
LEU A 372
THR A 225
 None
 1.00A 2roxB-4d9iA:
undetectable		 2roxB-4d9iA:
16.45
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.
4dlq LATROPHILIN-1

(Rattus
norvegicus) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		4 LEU A 580
GLU A 556
ALA A 551
THR A 612
 None
 0.82A 2roxB-4dlqA:
undetectable		 2roxB-4dlqA:
14.78
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A 257
ALA A 243
LEU A 241
THR A 204
 None
 1.03A 2roxB-4dyjA:
undetectable		 2roxB-4dyjA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ggv CYTOCHROME P450
SUPERFAMILY PROTEIN

(Streptomyces
himastatinicus) 		PF00067
(p450) 		4 LEU A 221
GLU A 219
ALA A 214
LEU A 211
 None
 1.06A 2roxB-4ggvA:
undetectable		 2roxB-4ggvA:
16.11
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B 127
GLU B 150
ALA B 145
LEU B 227
THR B 222
 None
 1.36A 2roxB-4hdsB:
undetectable		 2roxB-4hdsB:
16.91
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLU A  70
ALA A  68
LEU A  64
THR A  29
 None
 1.11A 2roxB-4hjhA:
undetectable		 2roxB-4hjhA:
15.88
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 GLU A 186
ALA A 183
LEU A 181
THR A 159
 None
 0.97A 2roxB-4lxrA:
undetectable		 2roxB-4lxrA:
9.83
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 LYS A 426
LEU A 424
ALA A 470
THR A 503
 None
CA  A 702 ( 4.5A)
None
None
 0.83A 2roxB-4mr0A:
undetectable		 2roxB-4mr0A:
12.41
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LYS A 386
LEU A 444
GLU A 385
ALA A 382
 None
 1.11A 2roxB-4pj6A:
undetectable		 2roxB-4pj6A:
10.76
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.
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 LEU A 107
GLU A 169
ALA A 132
THR A 128
 None
 1.01A 2roxB-4uucA:
undetectable		 2roxB-4uucA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxt THIOREDOXIN

(Mycobacterium
avium) 		PF00085
(Thioredoxin) 		4 GLU A  54
ALA A  52
LEU A  30
THR A  10
 None
 0.84A 2roxB-4wxtA:
undetectable		 2roxB-4wxtA:
25.17
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.
4xfd NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pseudomonas
aeruginosa) 		PF02540
(NAD_synthase) 		4 GLU A 214
ALA A 208
LEU A 206
THR A 104
 None
 1.10A 2roxB-4xfdA:
undetectable		 2roxB-4xfdA:
20.79
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.
4yxx DTOR_6X35L

(synthetic
construct) 		no annotation 4 LEU A 147
ALA A 118
LEU A 150
THR A 123
 None
 1.06A 2roxB-4yxxA:
undetectable		 2roxB-4yxxA:
25.00
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12862
(ANAPC5) 		4 LEU O 307
GLU O 326
ALA O 320
LEU O 310
 None
 1.08A 2roxB-5a31O:
undetectable		 2roxB-5a31O:
9.99