SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2N_B_X2NB1479_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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 131
ALA A  85
ALA A  69
ALA A  65
MET A 135
 None
 1.21A 2x2nB-1b9hA:
undetectable		 2x2nB-1b9hA:
22.15
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  60
MET A 155
ALA A  62
ALA A  40
ALA A  36
 None
 1.17A 2x2nB-1cnsA:
undetectable		 2x2nB-1cnsA:
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  60
MET A 155
PHE A  41
ALA A  62
ALA A  40
 None
 1.29A 2x2nB-1cnsA:
undetectable		 2x2nB-1cnsA:
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 PRO A  58
ALA A  61
ALA A  19
THR A  45
LEU A  52
 None
 1.30A 2x2nB-1cttA:
0.0		 2x2nB-1cttA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iw8 ACID PHOSPHATASE

(Shimwellia
blattae) 		PF01569
(PAP2) 		5 PHE A 214
ALA A 213
ALA A 162
ALA A 158
MET A 102
 None
 1.19A 2x2nB-1iw8A:
0.0		 2x2nB-1iw8A:
19.45
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 TYR A 146
PRO A 152
ALA A 153
MET A 141
MET A 207
 QUN  A 500 (-3.3A)
None
None
None
None
 0.98A 2x2nB-1jqeA:
undetectable		 2x2nB-1jqeA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		5 PHE A 259
ALA A 264
ALA A 268
LEU A 166
MET A 180
 None
 1.08A 2x2nB-1k2fA:
undetectable		 2x2nB-1k2fA:
15.81
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 PHE A  23
ALA A 214
ALA A  31
THR A  94
LEU A 120
 None
 1.06A 2x2nB-1lzkA:
undetectable		 2x2nB-1lzkA:
21.75
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 MET A 285
PRO A 315
ALA A 316
ALA A 259
MET A 293
 None
 1.18A 2x2nB-1r6vA:
undetectable		 2x2nB-1r6vA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PRO B 339
ALA B 232
ALA B 258
THR A 163
LEU B 157
 None
 1.28A 2x2nB-1tqyB:
undetectable		 2x2nB-1tqyB:
22.84
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 MET A  43
ALA A  55
ALA A  59
THR A  63
LEU A 111
 BRF  A1397 (-4.1A)
BRF  A1397 (-3.2A)
BRF  A1397 (-3.5A)
BRF  A1397 ( 4.7A)
None
 1.07A 2x2nB-1uuoA:
undetectable		 2x2nB-1uuoA:
21.26
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.
1vky S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Thermotoga
maritima) 		PF02547
(Queuosine_synth) 		5 PHE A  43
ALA A 286
ALA A 246
THR A 251
LEU A  58
 None
 1.20A 2x2nB-1vkyA:
undetectable		 2x2nB-1vkyA:
22.75
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 PRO A 324
ALA A 323
ALA A 292
THR A 509
LEU A 424
 None
 1.24A 2x2nB-1wzaA:
undetectable		 2x2nB-1wzaA:
19.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		6 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
MET A 325
 ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
None
 1.07A 2x2nB-1x8vA:
38.1		 2x2nB-1x8vA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		6 PHE A  78
MET A  79
PHE A  83
ALA A 256
LEU A 321
MET A 325
 ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-4.1A)
None
 1.07A 2x2nB-1x8vA:
38.1		 2x2nB-1x8vA:
31.90
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.
2ezv TYPE II RESTRICTION
ENZYME SFII

(Streptomyces
fimbriatus) 		PF11487
(RestrictionSfiI) 		5 PHE A 160
PHE A 204
ALA A 101
ALA A 121
ALA A 136
 None
None
CA  A 270 (-4.6A)
None
None
 1.01A 2x2nB-2ezvA:
undetectable		 2x2nB-2ezvA:
21.80
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.24A 2x2nB-2f00A:
undetectable		 2x2nB-2f00A:
21.54
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 PRO A 115
ALA A 265
ALA A 535
ALA A 531
THR A 528
 None
 1.18A 2x2nB-2gq3A:
undetectable		 2x2nB-2gq3A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3e T7I23.11 PROTEIN

(Arabidopsis
thaliana) 		PF04548
(AIG1) 		5 PRO A  15
ALA A  16
ALA A 207
THR A  52
LEU A  56
 None
 1.24A 2x2nB-2j3eA:
undetectable		 2x2nB-2j3eA:
19.33
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.
2vim THIOREDOXIN

(Fasciola
hepatica) 		PF00085
(Thioredoxin) 		5 PHE A  76
PHE A  53
PRO A  74
ALA A  45
ALA A  43
 None
 1.24A 2x2nB-2vimA:
undetectable		 2x2nB-2vimA:
12.42
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.
2vro ALDEHYDE
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00171
(Aldedh) 		5 PHE A 277
PRO A 272
ALA A 264
ALA A 302
LEU A 313
 None
 1.23A 2x2nB-2vroA:
undetectable		 2x2nB-2vroA:
22.85
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 PHE A 442
PRO A 411
ALA A 491
ALA A 435
ALA A 516
 None
 1.18A 2x2nB-3a2fA:
undetectable		 2x2nB-3a2fA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		5 PHE A  97
PHE A 107
ALA A  69
ALA A 135
MET A  66
 None
 0.99A 2x2nB-3d6eA:
undetectable		 2x2nB-3d6eA:
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.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 PHE A 238
ALA A  41
ALA A 176
ALA A 180
LEU A 272
 None
 1.07A 2x2nB-3e9zA:
undetectable		 2x2nB-3e9zA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 PHE A   6
TYR A  71
PRO A 221
ALA A 220
ALA A   3
 None
 1.29A 2x2nB-3ezoA:
undetectable		 2x2nB-3ezoA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		6 PHE A 115
TYR A  66
PRO A 116
ALA A 117
ALA A 176
ALA A 173
 None
 1.39A 2x2nB-3g6iA:
undetectable		 2x2nB-3g6iA:
18.26
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 MET A 308
PHE A 304
ALA A 256
THR A  97
MET A 261
 None
 1.29A 2x2nB-3h9cA:
undetectable		 2x2nB-3h9cA:
20.03
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.
3i4i 1,3-1,4-BETA-GLUCANA
SE

(uncultured
murine large
bowel bacterium
BAC 14) 		PF00722
(Glyco_hydro_16) 		5 PHE A 112
PHE A 122
ALA A  84
ALA A 150
MET A  81
 None
 1.01A 2x2nB-3i4iA:
undetectable		 2x2nB-3i4iA:
19.26
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 PRO A 483
ALA A 521
ALA A 445
ALA A 441
LEU A 459
 None
 1.28A 2x2nB-3ifqA:
undetectable		 2x2nB-3ifqA:
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 PHE A 110
ALA A 144
ALA A 146
LEU A 126
MET A  61
 None
 1.27A 2x2nB-3ig4A:
undetectable		 2x2nB-3ig4A:
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.
3kdw PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF12875
(DUF3826) 		6 PHE A 115
TYR A  67
PRO A 116
ALA A 117
ALA A 176
ALA A 173
 None
 1.37A 2x2nB-3kdwA:
undetectable		 2x2nB-3kdwA:
18.34
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.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING

(Pseudomonas
syringae group
genomosp. 3) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 PHE A 192
MET A 265
PRO A 268
ALA A 256
LEU A 231
 None
 1.26A 2x2nB-3kkjA:
undetectable		 2x2nB-3kkjA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
ALA A 287
ALA A 291
THR A 295
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.76A 2x2nB-3kswA:
45.3		 2x2nB-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
None
 0.89A 2x2nB-3kswA:
45.3		 2x2nB-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
 VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.14A 2x2nB-3kswA:
45.3		 2x2nB-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
PHE A 110
ALA A 291
THR A 295
LEU A 356
 VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.18A 2x2nB-3kswA:
45.3		 2x2nB-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 MET A 106
TYR A 116
ALA A 287
ALA A 291
MET A 360
 VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
None
 0.94A 2x2nB-3kswA:
45.3		 2x2nB-3kswA:
81.82
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.
3kv1 TRANSCRIPTIONAL
REPRESSOR

(Aliivibrio
fischeri) 		PF04198
(Sugar-bind) 		5 MET A 224
ALA A  22
ALA A  65
ALA A  68
LEU A  46
 None
 1.18A 2x2nB-3kv1A:
undetectable		 2x2nB-3kv1A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		12 PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
ALA A 210
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.57A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		6 PHE A 104
MET A 105
PRO A 209
ALA A 210
ALA A 286
MET A 359
 None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.33A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		6 PHE A 104
TYR A 115
PRO A 209
ALA A 210
ALA A 290
MET A 359
 None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.46A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 PHE A 109
TYR A 115
PRO A 209
ALA A 210
LEU A 358
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
HEM  A 481 (-3.6A)
 1.23A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 115
PRO A 209
ALA A 210
ALA A 290
LEU A 358
 HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
HEM  A 481 (-3.6A)
 1.24A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 PHE X 665
PHE X 779
PRO X 667
ALA X 668
ALA X 697
 None
 1.10A 2x2nB-3lxuX:
undetectable		 2x2nB-3lxuX:
15.79
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 PHE A 860
TYR A 810
ALA A 758
ALA A 864
ALA A 824
 None
 1.08A 2x2nB-3m62A:
1.3		 2x2nB-3m62A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 PHE A 375
PHE A 441
ALA A 382
ALA A 384
LEU A 334
 None
 1.28A 2x2nB-3m6xA:
undetectable		 2x2nB-3m6xA:
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 PHE A 203
PRO A 271
ALA A 270
ALA A 173
ALA A 175
 None
 1.09A 2x2nB-3menA:
undetectable		 2x2nB-3menA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5s BETA-GLUCANASE

(Bacillus
subtilis) 		PF00722
(Glyco_hydro_16) 		5 PHE A 138
PHE A 148
ALA A 110
ALA A 176
MET A 107
 None
 0.99A 2x2nB-3o5sA:
undetectable		 2x2nB-3o5sA:
16.84
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.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 408
PHE A 412
TYR A 357
PRO A 404
MET A 437
 None
PEG  A 495 (-4.6A)
PEG  A 495 (-4.7A)
None
None
 1.22A 2x2nB-3on6A:
undetectable		 2x2nB-3on6A:
21.23
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.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		5 PHE A 350
TYR A 381
ALA A 347
ALA A 373
LEU A 359
 None
 1.18A 2x2nB-3p14A:
undetectable		 2x2nB-3p14A:
22.85
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 414
PHE A 418
TYR A 363
PRO A 410
MET A 443
 None
 1.21A 2x2nB-3p2cA:
undetectable		 2x2nB-3p2cA:
21.03
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.
3pas TETR FAMILY
TRANSCRIPTION
REGULATOR

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF16295
(TetR_C_10) 		5 PHE A 155
MET A 154
ALA A 187
ALA A 189
LEU A  80
 None
 1.26A 2x2nB-3pasA:
undetectable		 2x2nB-3pasA:
17.67
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.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 PHE A  73
PRO A  43
ALA A  44
ALA A 140
ALA A 144
 URA  A 430 (-3.4A)
None
None
None
None
 0.96A 2x2nB-3qe7A:
undetectable		 2x2nB-3qe7A:
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.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 PHE A  79
ALA A  25
ALA A  84
ALA A  88
THR A  92
 None
 0.71A 2x2nB-3qtaA:
undetectable		 2x2nB-3qtaA:
20.59
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.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 PHE A  79
ALA A  37
ALA A  84
ALA A  88
THR A  92
 None
 1.12A 2x2nB-3qtaA:
undetectable		 2x2nB-3qtaA:
20.59
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 PRO A 537
ALA A 588
ALA A 602
ALA A 604
THR A 567
 None
 1.19A 2x2nB-3ttfA:
undetectable		 2x2nB-3ttfA:
18.99
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 PHE B  74
PHE B  21
ALA B  70
ALA B 202
LEU B 178
 None
 1.24A 2x2nB-3vlbB:
undetectable		 2x2nB-3vlbB:
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.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Shewanella
frigidimarina) 		PF00290
(Trp_syntA) 		5 PHE A 140
PHE A 115
PRO A 139
ALA A 138
ALA A 109
 None
 1.25A 2x2nB-3vndA:
undetectable		 2x2nB-3vndA:
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.
3wa5 TSE3-SPECIFIC
IMMUNITY PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B  42
PHE B  24
ALA B 137
ALA B 133
THR B 131
 None
 1.27A 2x2nB-3wa5B:
undetectable		 2x2nB-3wa5B:
15.37
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.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 PHE A 229
PRO A 173
ALA A 174
ALA A 208
MET A  94
 None
 1.24A 2x2nB-4b5xA:
undetectable		 2x2nB-4b5xA:
17.75
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 851
PRO A 924
ALA A 923
ALA A 819
ALA A 821
 None
 1.16A 2x2nB-4cbyA:
undetectable		 2x2nB-4cbyA:
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.09A 2x2nB-4cgrA:
undetectable		 2x2nB-4cgrA:
18.11
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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 PHE A 880
ALA A 911
ALA A 963
ALA A 967
THR A 971
 None
 1.29A 2x2nB-4fxdA:
undetectable		 2x2nB-4fxdA:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.99A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		12 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
ALA A 211
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.84A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 PHE A 105
MET A 106
PRO A 210
ALA A 211
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.34A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 PRO A 210
ALA A 212
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 ( 4.8A)
None
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 1.45A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.21A 2x2nB-4hv4A:
undetectable		 2x2nB-4hv4A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PRO A 207
ALA A 206
ALA A 218
THR A 224
MET A 246
 None
 1.05A 2x2nB-4jgaA:
undetectable		 2x2nB-4jgaA:
21.23
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 PHE A 349
PRO A 348
ALA A 117
ALA A  33
THR A 389
 None
 1.23A 2x2nB-4kemA:
undetectable		 2x2nB-4kemA:
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		5 PHE A  39
PRO A 156
ALA A 157
ALA A 337
LEU A 200
 None
 1.29A 2x2nB-4kjdA:
undetectable		 2x2nB-4kjdA:
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 PHE A 269
PRO A 270
ALA A 128
ALA A 143
LEU A 110
 None
 1.04A 2x2nB-4mnrA:
undetectable		 2x2nB-4mnrA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 PHE B 949
TYR A 817
ALA A 800
ALA B 647
MET A 822
 None
 1.24A 2x2nB-4qiwB:
undetectable		 2x2nB-4qiwB:
17.95
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 PHE A 252
TYR A 148
ALA A 254
LEU A 349
MET A 270
 None
 1.27A 2x2nB-4rjzA:
undetectable		 2x2nB-4rjzA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 131
ALA A 380
ALA A 126
THR A 123
LEU A 389
 None
 1.27A 2x2nB-4s17A:
undetectable		 2x2nB-4s17A:
23.76
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.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 TYR A 537
ALA A 267
ALA A 524
THR A 526
LEU A 582
 None
 1.19A 2x2nB-4u33A:
undetectable		 2x2nB-4u33A:
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 MET A 131
PHE A 108
TYR A 128
ALA A 107
ALA A 103
 None
 1.02A 2x2nB-4wlhA:
undetectable		 2x2nB-4wlhA:
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 PRO A 447
ALA A 448
ALA A 167
ALA A 169
MET A 403
 None
 1.27A 2x2nB-4yjiA:
undetectable		 2x2nB-4yjiA:
23.01
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.
4ztc AMINOTRANSFERASE
HOMOLOG

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 180
PRO A  29
ALA A  28
ALA A  56
ALA A  59
 None
None
None
4RA  A 401 (-3.4A)
None
 1.30A 2x2nB-4ztcA:
undetectable		 2x2nB-4ztcA:
21.69
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 MET B 161
PHE B 170
TYR B 164
ALA B 153
ALA B 131
 None
 1.10A 2x2nB-5a8rB:
0.9		 2x2nB-5a8rB:
21.61
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 PHE A 611
TYR A 664
ALA A 599
ALA A 626
MET A 690
 None
None
None
B12  A1101 (-3.6A)
None
 1.30A 2x2nB-5cjuA:
undetectable		 2x2nB-5cjuA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 PHE A 280
MET A 276
PHE A 274
ALA A 141
LEU A 294
 None
NAP  A 401 (-4.9A)
None
None
None
 1.19A 2x2nB-5dp2A:
undetectable		 2x2nB-5dp2A:
23.41
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.
5eov 16S/23S RRNA
(CYTIDINE-2'-O)-METH
YLTRANSFERASE TLYA

(Mycobacterium
tuberculosis) 		PF01728
(FtsJ) 		5 PHE A 240
ALA A 227
ALA A  89
ALA A  91
THR A  93
 None
 1.23A 2x2nB-5eovA:
undetectable		 2x2nB-5eovA:
18.76
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 ALA A  39
ALA A 373
ALA A 383
THR A 387
LEU A 308
 None
MPD  A 602 ( 4.7A)
MPD  A 602 ( 3.9A)
None
None
 1.28A 2x2nB-5ez3A:
undetectable		 2x2nB-5ez3A:
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 PHE A 723
ALA A 756
ALA A 618
ALA A 614
THR A 610
 None
 1.13A 2x2nB-5haxA:
undetectable		 2x2nB-5haxA:
19.84
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 PHE A 178
PRO A 201
ALA A 202
ALA A 161
LEU A 247
 None
 1.24A 2x2nB-5kdxA:
undetectable		 2x2nB-5kdxA:
18.81
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 MET A 134
ALA A  12
ALA A 129
THR A 423
LEU A 438
 None
 1.04A 2x2nB-5lnqA:
undetectable		 2x2nB-5lnqA:
22.28
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 302
PRO A 297
ALA A 267
ALA A 159
LEU A 275
 None
 0.93A 2x2nB-5lp4A:
undetectable		 2x2nB-5lp4A:
20.07
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 MET A 427
PHE A 426
ALA A 488
THR A 492
LEU A 362
 None
 1.17A 2x2nB-5tr1A:
undetectable		 2x2nB-5tr1A:
21.11
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.
5u8e ARGININE KINASE

(Polybetes
pythagoricus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 PRO A 138
ALA A 200
ALA A  45
THR A  76
LEU A 268
 None
 1.24A 2x2nB-5u8eA:
undetectable		 2x2nB-5u8eA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 PHE B 184
ALA B 162
ALA B 100
ALA B 118
LEU B 172
 PEG  B 309 ( 4.4A)
None
None
None
None
 1.21A 2x2nB-5uniB:
undetectable		 2x2nB-5uniB:
21.59
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		5 PHE A 241
ALA A 248
ALA A  87
ALA A  84
LEU A 297
 None
 1.27A 2x2nB-5us8A:
undetectable		 2x2nB-5us8A:
23.73
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 137
PRO A  67
ALA A  14
ALA A 161
LEU A 339
 None
None
None
None
NAP  A 405 (-4.8A)
 1.23A 2x2nB-5vktA:
undetectable		 2x2nB-5vktA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xso RESPONSE REGULATOR
FIXJ

(Bradyrhizobium
japonicum) 		no annotation 5 MET A 202
ALA A 156
ALA A 137
ALA A 141
MET A 151
 None
 1.29A 2x2nB-5xsoA:
undetectable		 2x2nB-5xsoA:
13.43
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 5 PHE A  52
PRO A 232
ALA A 230
ALA A  56
ALA A  96
 None
 1.30A 2x2nB-5z6oA:
undetectable		 2x2nB-5z6oA:
9.70
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.
5zov -

(-) 		no annotation 5 PHE A 370
PRO A 180
ALA A 183
ALA A 416
MET A 177
 None
 1.27A 2x2nB-5zovA:
undetectable		 2x2nB-5zovA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 9 PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.16A 2x2nB-6ay4A:
45.7		 2x2nB-6ay4A:
35.77
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 PHE A 136
ALA A 137
ALA A  63
ALA A  65
THR A  24
 None
 1.29A 2x2nB-6cipA:
undetectable		 2x2nB-6cipA:
9.36
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 113
ALA A 219
ALA A 179
LEU A 200
MET A 226
 None
 1.22A 2x2nB-6conA:
undetectable		 2x2nB-6conA:
10.92
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 115
TYR A 119
ALA A 143
ALA A 162
LEU A 152
 None
 1.21A 2x2nB-6fbtA:
undetectable		 2x2nB-6fbtA:
11.72