SIMILAR PATTERNS OF AMINO ACIDS FOR 3JB2_A_SAMA1102_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 549
GLY A 546
GLY A 545
ALA A 478
VAL A 477
 None
 0.94A 3jb2A-1bhyA:
0.0		 3jb2A-1bhyA:
18.39
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ILE A 177
GLY A 178
GLY A 179
ALA A 247
PRO A 124
 None
None
None
None
COA  A 901 (-4.1A)
 1.00A 3jb2A-1cqjA:
0.0		 3jb2A-1cqjA:
14.94
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A  14
GLY A  15
GLY A  12
ALA A  38
ALA A  89
 NAI  A 400 (-3.9A)
None
NAI  A 400 (-3.3A)
NAI  A 400 (-3.4A)
NAI  A 400 (-3.7A)
 0.92A 3jb2A-1ek6A:
4.5		 3jb2A-1ek6A:
15.36
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 164
GLY A 344
ALA A 348
ALA A 401
ALA A 185
 None
 1.00A 3jb2A-1j3nA:
0.0		 3jb2A-1j3nA:
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.
1jtd BETA-LACTAMASE
INHIBITOR PROTEIN II

(Streptomyces
exfoliatus) 		PF13540
(RCC1_2) 		5 TYR B 270
GLY B  72
GLY B  71
ALA B 301
ALA B 109
 None
 0.92A 3jb2A-1jtdB:
0.0		 3jb2A-1jtdB:
13.05
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 391
ILE A 433
GLY A 381
PRO A 368
VAL A 451
 None
 0.87A 3jb2A-1k4qA:
3.3		 3jb2A-1k4qA:
18.17
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 ILE A 313
GLY A 314
ALA A 441
ALA A 452
VAL A 451
 None
 0.92A 3jb2A-1m22A:
0.0		 3jb2A-1m22A:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A1253
GLY A1087
ALA A1019
ALA A1050
VAL A1049
 None
 0.83A 3jb2A-1n5xA:
0.0		 3jb2A-1n5xA:
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.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 161
GLY A 160
PRO A 156
ALA A 191
VAL A 190
 None
 0.75A 3jb2A-1pl8A:
3.4		 3jb2A-1pl8A:
16.36
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ILE A 253
GLY A 157
GLY A 158
ALA A 153
ALA A 132
 None
FAD  A 605 (-4.5A)
FAD  A 605 (-3.3A)
FAD  A 605 ( 3.8A)
FAD  A 605 (-3.3A)
 0.99A 3jb2A-1qo8A:
2.0		 3jb2A-1qo8A:
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		5 GLY A 236
GLY A 235
ALA A 254
PRO A 193
ALA A 249
 None
 0.92A 3jb2A-1t8wA:
undetectable		 3jb2A-1t8wA:
19.57
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 ILE A 128
GLY A  93
ALA A  84
ALA A  41
PRO A  68
 None
 0.88A 3jb2A-1yixA:
undetectable		 3jb2A-1yixA:
13.99
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 313
GLY A 310
ALA A 380
PRO A 435
ALA A 335
 None
 0.89A 3jb2A-1zcjA:
3.1		 3jb2A-1zcjA:
17.86
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 ILE A  77
GLY A  78
GLY A  79
ALA A  53
VAL A  90
 None
 0.85A 3jb2A-2b6nA:
undetectable		 3jb2A-2b6nA:
13.92
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 TYR A 498
GLY A 461
GLY A 462
ALA A 427
VAL A 677
 None
 0.96A 3jb2A-2c3oA:
undetectable		 3jb2A-2c3oA:
22.16
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 0.92A 3jb2A-2d4vA:
undetectable		 3jb2A-2d4vA:
17.93
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 121
GLY A 123
ALA A 127
ALA A 157
ALA A 408
VAL A 166
 None
 1.29A 3jb2A-2e6kA:
undetectable		 3jb2A-2e6kA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 ILE A 273
GLY A 274
GLY A 275
ALA A 312
VAL A 279
 None
 0.81A 3jb2A-2epjA:
2.1		 3jb2A-2epjA:
18.50
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ILE A 952
GLY A 535
ALA A 540
PHE A 972
ALA A 946
 None
 0.93A 3jb2A-2eyqA:
1.9		 3jb2A-2eyqA:
22.08
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 ILE A 248
ALA A 256
PRO A  69
PHE A  18
VAL A 213
 None
 0.99A 3jb2A-2ha9A:
undetectable		 3jb2A-2ha9A:
19.01
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 TYR A  40
GLY A 127
GLY A 126
ALA A 174
PRO A 325
 None
 1.01A 3jb2A-2hihA:
undetectable		 3jb2A-2hihA:
17.51
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ILE A  96
GLY A 383
ALA A 109
ALA A 206
VAL A 211
 None
 0.87A 3jb2A-2ipcA:
undetectable		 3jb2A-2ipcA:
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 212
GLY A 395
ALA A 399
ALA A 454
ALA A 233
 None
 1.01A 3jb2A-2ix4A:
undetectable		 3jb2A-2ix4A:
17.15
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 216
GLY A 234
GLY A 235
ALA A 126
ALA A 204
 None
 0.99A 3jb2A-2ix4A:
undetectable		 3jb2A-2ix4A:
17.15
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.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		6 ILE A 184
PRO A 129
ALA A 119
ALA A 133
VAL A 132
PRO A 155
 None
 1.36A 3jb2A-2ng1A:
undetectable		 3jb2A-2ng1A:
14.76
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.
2nli LACTATE OXIDASE

(Aerococcus
viridans) 		PF01070
(FMN_dh) 		5 ILE A  14
GLY A 330
GLY A 329
ALA A 100
ALA A 111
 None
 0.95A 3jb2A-2nliA:
undetectable		 3jb2A-2nliA:
16.79
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 ILE A 423
GLY A 422
GLY A 433
PRO A 477
ALA A 560
 None
 0.87A 3jb2A-2o1sA:
3.3		 3jb2A-2o1sA:
20.81
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 TYR A  74
ILE A 204
GLY A 172
ALA A 207
ALA A  11
 None
 1.00A 3jb2A-2oryA:
undetectable		 3jb2A-2oryA:
15.89
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 ILE A  98
GLY A  99
GLY A 100
ALA A 280
PRO A 123
 None
 0.95A 3jb2A-2pl5A:
undetectable		 3jb2A-2pl5A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 ILE A 178
GLY A 177
GLY A 176
ALA A 136
VAL A 159
 None
 0.89A 3jb2A-2qy1A:
undetectable		 3jb2A-2qy1A:
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.
2rcy PYRROLINE
CARBOXYLATE
REDUCTASE

(Plasmodium
falciparum) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ILE A 165
GLY A 169
ALA A 171
ALA A 249
VAL A 250
 None
 1.01A 3jb2A-2rcyA:
undetectable		 3jb2A-2rcyA:
13.03
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 0.88A 3jb2A-2vdaA:
undetectable		 3jb2A-2vdaA:
20.71
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 722
GLY B 537
ALA B 469
ALA B 500
VAL B 499
 None
 0.88A 3jb2A-2w55B:
undetectable		 3jb2A-2w55B:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 313
GLY A 310
ALA A 380
PRO A 435
ALA A 335
 None
 0.96A 3jb2A-2x58A:
1.5		 3jb2A-2x58A:
21.14
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.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 375
GLY A 374
ALA A 404
ALA A 360
ALA A 380
 None
 0.97A 3jb2A-2zviA:
undetectable		 3jb2A-2zviA:
16.83
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 0.90A 3jb2A-3bxzA:
undetectable		 3jb2A-3bxzA:
17.59
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
GLY A 353
ALA A 357
ALA A 411
ALA A 194
 None
 0.98A 3jb2A-3e60A:
undetectable		 3jb2A-3e60A:
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.
3fch CARBOXYSOME SHELL
PROTEIN CSOS1D

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ILE A 118
GLY A 124
ALA A 122
ALA A 223
VAL A 224
 None
 0.95A 3jb2A-3fchA:
undetectable		 3jb2A-3fchA:
15.42
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.
3fch CARBOXYSOME SHELL
PROTEIN CSOS1D

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ILE A 253
ALA A 207
PRO A 199
ALA A 200
VAL A  60
 None
 0.92A 3jb2A-3fchA:
undetectable		 3jb2A-3fchA:
15.42
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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 GLY A 151
GLY A 152
ALA A 235
ALA A 102
PRO A  94
 None
None
None
None
GOL  A   1 (-4.3A)
 0.82A 3jb2A-3fduA:
undetectable		 3jb2A-3fduA:
13.99
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		6 GLY A 247
ALA A 267
ALA A 262
ALA A 280
VAL A 239
PRO A 253
 None
 1.41A 3jb2A-3foaA:
undetectable		 3jb2A-3foaA:
19.87
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 155
GLY A 158
ALA A 162
ALA A 242
PRO A 177
 None
None
None
None
CL  A 354 (-3.6A)
 1.00A 3jb2A-3fplA:
2.8		 3jb2A-3fplA:
14.98
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		6 GLY U 247
ALA U 267
ALA U 262
ALA U 280
VAL U 239
PRO U 253
 None
 1.41A 3jb2A-3j2nU:
undetectable		 3jb2A-3j2nU:
21.94
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 5 ILE B 293
GLY B 289
GLY B 288
ALA B 370
VAL B 312
 None
 0.93A 3jb2A-3jruB:
undetectable		 3jb2A-3jruB:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ILE A 546
GLY A 544
ALA A 584
PHE A 518
ALA A 491
 None
 0.99A 3jb2A-3k13A:
undetectable		 3jb2A-3k13A:
14.85
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.
3kcu PROBABLE FORMATE
TRANSPORTER 1

(Escherichia
coli) 		PF01226
(Form_Nir_trans) 		5 GLY A  72
GLY A  71
ALA A  67
VAL A 203
PRO A 198
 None
 1.00A 3jb2A-3kcuA:
undetectable		 3jb2A-3kcuA:
13.45
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.
3l09 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Jannaschia sp.
CCS1) 		PF07848
(PaaX) 		5 GLY A 230
GLY A 229
PRO A 109
ALA A 110
ALA A 233
 None
 1.00A 3jb2A-3l09A:
undetectable		 3jb2A-3l09A:
14.07
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.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 GLY A 275
GLY A 274
ALA A 315
PRO A 277
ALA A  72
 None
 0.89A 3jb2A-3l44A:
undetectable		 3jb2A-3l44A:
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.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 ILE A 162
GLY A 163
ALA A 194
ALA A 210
PRO A 241
 None
 0.88A 3jb2A-3lkvA:
undetectable		 3jb2A-3lkvA:
15.54
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		5 GLY A 789
ALA A 792
PRO A 787
PHE A 785
ALA A 856
 None
 0.94A 3jb2A-3ptyA:
undetectable		 3jb2A-3ptyA:
17.17
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE C1253
GLY C1087
ALA C1019
ALA C1050
VAL C1049
 None
 0.77A 3jb2A-3sr6C:
undetectable		 3jb2A-3sr6C:
21.65
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		6 GLY A 180
GLY A 179
ALA A 209
PRO A 158
ALA A 157
ALA A 367
 NA  A 421 ( 4.6A)
None
None
None
None
None
 1.45A 3jb2A-3tijA:
undetectable		 3jb2A-3tijA:
17.71
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B  83
PRO B  43
ALA B  42
ALA B  36
VAL B  35
 None
 1.00A 3jb2A-3v0aB:
undetectable		 3jb2A-3v0aB:
21.46
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 286
GLY A 291
GLY A 290
ALA A  92
VAL A  91
 None
 0.97A 3jb2A-3v4bA:
undetectable		 3jb2A-3v4bA:
16.89
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE A  83
PRO A  43
ALA A  42
ALA A  36
VAL A  35
 None
 0.95A 3jb2A-3vuoA:
undetectable		 3jb2A-3vuoA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A1258
GLY A1092
ALA A1024
ALA A1055
VAL A1054
 None
 0.82A 3jb2A-3zyvA:
undetectable		 3jb2A-3zyvA:
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ILE A 725
GLY A 722
ALA A 693
ALA A 445
VAL A 448
 None
 0.98A 3jb2A-4a01A:
1.8		 3jb2A-4a01A:
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.
4aez WD REPEAT-CONTAINING
PROTEIN SLP1

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 TYR A 181
GLY A 322
GLY A 323
ALA A 351
VAL A 352
 None
 0.97A 3jb2A-4aezA:
undetectable		 3jb2A-4aezA:
17.81
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.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum) 		PF03136
(Pup_ligase) 		5 ILE A  55
GLY A  58
ALA A 419
ALA A 409
ALA A  72
 None
None
None
None
ADP  A1478 ( 3.1A)
 1.01A 3jb2A-4b0tA:
undetectable		 3jb2A-4b0tA:
18.04
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.
4c60 OCHRATOXINASE

(Aspergillus
niger) 		PF01979
(Amidohydro_1) 		5 GLY A 290
GLY A 293
ALA A 297
PRO A 260
ALA A 311
 None
 0.96A 3jb2A-4c60A:
undetectable		 3jb2A-4c60A:
19.22
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 ILE A  90
GLY A 119
GLY A 118
ALA A 114
ALA A 101
 None
 1.00A 3jb2A-4diaA:
undetectable		 3jb2A-4diaA:
15.05
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.
4eye PROBABLE
OXIDOREDUCTASE

(Mycobacteroides
abscessus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  90
GLY A  91
GLY A  92
ALA A   3
ALA A  98
 None
 0.88A 3jb2A-4eyeA:
4.7		 3jb2A-4eyeA:
15.85
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 ILE A 220
GLY A 221
PHE A 314
ALA A 133
VAL A 134
 None
 0.94A 3jb2A-4f9uA:
undetectable		 3jb2A-4f9uA:
14.39
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.
4gri GLUTAMATE--TRNA
LIGASE

(Borreliella
burgdorferi) 		PF00749
(tRNA-synt_1c) 		5 ILE A  18
GLY A  19
GLY A  20
ALA A 215
PHE A 314
 None
 0.92A 3jb2A-4griA:
undetectable		 3jb2A-4griA:
19.55
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.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 ILE B 133
GLY B 129
GLY B 128
ALA B 152
ALA B 175
 None
 0.96A 3jb2A-4jn6B:
2.8		 3jb2A-4jn6B:
15.47
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.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 ILE B 181
GLY B 182
GLY B 183
ALA B 185
ALA B 175
 None
 0.95A 3jb2A-4jn6B:
2.8		 3jb2A-4jn6B:
15.47
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.
4juu EPIMERASE

(Xanthomonas
campestris) 		PF05544
(Pro_racemase) 		6 ILE A 266
GLY A 265
GLY A 268
ALA A  12
PHE A 225
ALA A 222
 None
 1.37A 3jb2A-4juuA:
undetectable		 3jb2A-4juuA:
15.31
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 TYR A 294
GLY A 156
GLY A 153
ALA A 187
VAL A 186
 None
 0.95A 3jb2A-4nurA:
undetectable		 3jb2A-4nurA:
20.15
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 292
GLY A 291
ALA A 320
ALA A 166
VAL A 165
 None
 1.01A 3jb2A-4nzsA:
undetectable		 3jb2A-4nzsA:
17.26
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		5 GLY A 152
GLY A 153
ALA A  52
PHE A 150
ALA A  99
 None
None
None
None
PYR  A 402 ( 4.4A)
 1.01A 3jb2A-4petA:
undetectable		 3jb2A-4petA:
15.28
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		6 ILE A  66
GLY A  63
ALA A  90
PHE A  55
ALA A  58
VAL A  57
 None
None
None
None
LLP  A  34 ( 3.9A)
LLP  A  34 ( 4.8A)
 1.29A 3jb2A-4qhrA:
undetectable		 3jb2A-4qhrA:
15.89
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.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 ILE A 113
GLY A 114
PRO A 136
ALA A 137
PHE A 156
VAL A 179
 SAH  A 502 (-4.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-4.0A)
SAH  A 502 ( 3.8A)
None
SAH  A 502 (-4.2A)
 0.82A 3jb2A-4rvhA:
7.0		 3jb2A-4rvhA:
16.82
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A3265
GLY A3266
GLY A3311
ALA A3333
ALA A3300
 None
 0.96A 3jb2A-4tktA:
undetectable		 3jb2A-4tktA:
20.43
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		6 ILE A  60
GLY A  59
ALA A 436
ALA A 228
ALA A  65
VAL A  63
 None
 1.48A 3jb2A-4us4A:
undetectable		 3jb2A-4us4A:
19.03
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		6 ILE A1253
GLY A1087
GLY A1089
ALA A1019
ALA A1050
VAL A1049
 None
 1.38A 3jb2A-4yswA:
undetectable		 3jb2A-4yswA:
21.70
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A1253
GLY A1087
GLY A1089
ALA A1093
VAL A1049
 None
 1.01A 3jb2A-4yswA:
undetectable		 3jb2A-4yswA:
21.70
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		5 ILE A 244
ALA A 281
ALA A 228
VAL A 227
PRO A 225
 None
 0.92A 3jb2A-5a8qA:
undetectable		 3jb2A-5a8qA:
16.27
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 TYR A  40
GLY A 132
GLY A 131
ALA A 175
PRO A 341
 None
 0.93A 3jb2A-5ah0A:
undetectable		 3jb2A-5ah0A:
17.04
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 5 TYR A  30
GLY A 117
GLY A 116
ALA A 163
PRO A 329
 None
 0.93A 3jb2A-5ce5A:
undetectable		 3jb2A-5ce5A:
16.57
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 560
ALA A   8
ALA A 578
VAL A 526
PRO A 519
 None
 0.88A 3jb2A-5e6sA:
undetectable		 3jb2A-5e6sA:
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.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		5 GLY A 238
ALA A 234
PRO A 277
ALA A 185
PRO A 191
 None
 0.98A 3jb2A-5evjA:
3.8		 3jb2A-5evjA:
17.14
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 ILE A 267
GLY A 268
GLY A 269
ALA A 306
VAL A 273
 None
 0.94A 3jb2A-5i92A:
undetectable		 3jb2A-5i92A:
18.06
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.
5inr DIPEPTIDASE

(Lactobacillus
farciminis) 		PF03577
(Peptidase_C69) 		5 ILE A 171
GLY A 172
GLY A 173
PRO A 154
VAL A 108
 None
 0.81A 3jb2A-5inrA:
undetectable		 3jb2A-5inrA:
18.70
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 245
GLY L 246
ALA L 455
ALA L 162
ALA L 249
 None
None
FAD  L 503 (-3.5A)
None
None
 0.96A 3jb2A-5jfcL:
3.9		 3jb2A-5jfcL:
18.55
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 0.93A 3jb2A-5k9tA:
undetectable		 3jb2A-5k9tA:
19.48
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.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		6 GLY A 180
GLY A 179
ALA A 209
PRO A 158
ALA A 157
ALA A 367
 NA  A 506 ( 4.9A)
None
None
None
None
None
 1.42A 3jb2A-5l26A:
undetectable		 3jb2A-5l26A:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 ILE A 542
GLY A 543
GLY A 544
ALA A 597
VAL A 609
 None
 0.97A 3jb2A-5m60A:
undetectable		 3jb2A-5m60A:
21.40
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		6 ILE A 483
GLY A 484
GLY A 485
ALA A 513
ALA A 489
VAL A 490
 None
 1.06A 3jb2A-5mq6A:
undetectable		 3jb2A-5mq6A:
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 TYR A 390
ILE A 362
GLY A 361
GLY A 360
ALA A 386
 None
 0.83A 3jb2A-5n6uA:
undetectable		 3jb2A-5n6uA:
20.87
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		5 GLY F 170
GLY F 171
ALA F  88
ALA F  73
VAL F  82
 None
 0.99A 3jb2A-5odrF:
undetectable		 3jb2A-5odrF:
19.11
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 544
GLY A 541
GLY A 540
ALA A 473
VAL A 472
 None
 0.97A 3jb2A-5u25A:
3.4		 3jb2A-5u25A:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 245
GLY A 246
ALA A 456
ALA A 162
ALA A 249
 None
None
FAD  A 503 (-2.7A)
FAD  A 503 (-4.8A)
None
 0.95A 3jb2A-5vj7A:
2.9		 3jb2A-5vj7A:
19.04
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		6 ILE A 433
GLY A 432
GLY A 431
ALA A 188
ALA A 302
VAL A 296
 None
 1.44A 3jb2A-5x9rA:
undetectable		 3jb2A-5x9rA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2z LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1

(Homo sapiens) 		no annotation 5 ILE B 278
GLY B 280
PHE B 318
ALA B 300
VAL B 299
 None
 0.95A 3jb2A-5y2zB:
undetectable		 3jb2A-5y2zB:
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.
5y31 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1

(Homo sapiens) 		no annotation 5 ILE B 278
GLY B 280
PHE B 318
ALA B 300
VAL B 299
 None
 0.96A 3jb2A-5y31B:
undetectable		 3jb2A-5y31B:
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.
5z7r SHORT-CHAIN-ENOYL-CO
A HYDRATASE

(Clostridium
acetobutylicum) 		no annotation 5 ILE A 115
GLY A 112
GLY A 111
ALA A  27
VAL A  63
 None
 0.92A 3jb2A-5z7rA:
undetectable		 3jb2A-5z7rA:
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1
MONOBODY YSX1

(Escherichia
coli;
Homo sapiens;
synthetic
construct) 		no annotation
no annotation 		5 TYR B  77
ILE A 329
GLY A 260
ALA A 109
PRO A 107
 None
 0.96A 3jb2A-6apxB:
undetectable		 3jb2A-6apxB:
7.18
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.
6bwc POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
CAPD

(Bacillus
thuringiensis) 		no annotation 5 ILE A  17
GLY A  18
GLY A  15
ALA A  84
VAL A  83
 NAP  A 401 (-3.8A)
None
NAP  A 401 (-3.5A)
NAP  A 401 (-3.5A)
NAP  A 401 (-4.5A)
 1.01A 3jb2A-6bwcA:
3.4		 3jb2A-6bwcA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ILE A 173
GLY A 175
ALA A 322
ALA A 180
ALA A 108
 None
 0.95A 3jb2A-6eu6A:
undetectable		 3jb2A-6eu6A:
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ILE A  50
GLY A  49
GLY A  48
ALA A  28
PRO A  81
 NIU  A 100 (-3.9A)
NIU  A 100 ( 3.8A)
None
NIU  A 100 (-3.6A)
None
 1.00A 3jb2A-6upjA:
undetectable		 3jb2A-6upjA:
7.89