SIMILAR PATTERNS OF AMINO ACIDS FOR 1QAB_F_RTLF2_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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ALA A  66
LEU A  86
GLY A  67
TYR A 116
GLN A 120
 None
 1.14A 1qabF-1ayeA:
0.0		 1qabF-1ayeA:
17.91
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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ALA A 675
LEU A 705
GLY A 665
PHE A 639
MET A 643
 None
 1.17A 1qabF-1ewrA:
0.0		 1qabF-1ewrA:
14.97
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ALA A 540
ALA A 531
GLY A 482
LEU A 476
GLN A 556
 None
 1.23A 1qabF-1gq2A:
0.0		 1qabF-1gq2A:
16.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		6 PHE A  36
ALA A  43
LEU A  63
MET A  73
LEU A  97
GLN A  98
 None
RTL  A 176 ( 4.1A)
None
RTL  A 176 ( 4.0A)
RTL  A 176 (-4.0A)
RTL  A 176 (-3.8A)
 1.45A 1qabF-1iiuA:
28.7		 1qabF-1iiuA:
84.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		12 PHE A  36
ALA A  55
ALA A  57
LEU A  63
MET A  73
GLY A  75
PHE A  77
MET A  88
TYR A  90
LEU A  97
GLN A  98
HIS A 104
 None
RTL  A 176 ( 3.8A)
RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 4.0A)
RTL  A 176 ( 4.0A)
None
RTL  A 176 (-3.4A)
RTL  A 176 ( 4.0A)
RTL  A 176 (-4.0A)
RTL  A 176 (-3.8A)
RTL  A 176 ( 4.7A)
 0.80A 1qabF-1iiuA:
28.7		 1qabF-1iiuA:
84.00
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.
1m2f KAIA

(Synechococcus
elongatus) 		no annotation 5 ALA A 123
ALA A 121
TYR A 116
LEU A 114
GLN A 113
 None
 1.15A 1qabF-1m2fA:
0.0		 1qabF-1m2fA:
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 PHE A 182
ALA A 223
LEU A 174
GLY A 220
LEU A 234
 None
 1.25A 1qabF-1mt5A:
0.0		 1qabF-1mt5A:
15.57
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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 ALA A 174
LEU A 131
PHE A 349
LEU A 183
HIS A 317
 None
 1.19A 1qabF-1nw1A:
0.0		 1qabF-1nw1A:
17.84
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 ALA A 545
LEU A 750
MET A 551
GLY A 549
LEU A 660
 None
 1.18A 1qabF-1qb4A:
0.0		 1qabF-1qb4A:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ALA A 129
ALA A 162
GLY A 125
LEU A 188
GLN A 202
 None
None
PO4  A 242 (-3.6A)
None
None
 1.03A 1qabF-1r6mA:
0.0		 1qabF-1r6mA:
22.27
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 ALA A  77
LEU A 131
GLY A  74
LEU A 157
GLN A 219
 None
 1.16A 1qabF-1s6rA:
undetectable		 1qabF-1s6rA:
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		5 PHE A 136
LEU A  65
GLY A  50
TYR A  90
LEU A  85
 None
 1.25A 1qabF-1sqgA:
undetectable		 1qabF-1sqgA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u9z RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Methanocaldococcus
jannaschii) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ALA A 102
ALA A 107
LEU A  83
TYR A  90
LEU A  88
 None
 1.23A 1qabF-1u9zA:
undetectable		 1qabF-1u9zA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ALA A 281
LEU A 390
MET A 276
GLY A 278
LEU A 243
 None
 1.18A 1qabF-1v8bA:
undetectable		 1qabF-1v8bA:
17.28
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.
1x37 ATP-DEPENDENT
PROTEASE LA 1

(Bacillus
subtilis) 		PF05362
(Lon_C) 		5 ALA A  68
ALA A  66
LEU A  17
LEU A  33
GLN A  32
 None
 1.13A 1qabF-1x37A:
undetectable		 1qabF-1x37A:
17.39
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 ALA A 146
ALA A 148
LEU A 221
GLY A 140
LEU A 213
 None
None
None
PLP  A 434 ( 3.9A)
None
 1.25A 1qabF-1z3zA:
undetectable		 1qabF-1z3zA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		5 ALA A 234
ALA A 236
LEU A  72
GLY A 233
PHE A 333
 None
 1.10A 1qabF-2bznA:
undetectable		 1qabF-2bznA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7a TUMOR NECROSIS
FACTOR

(Homo sapiens) 		PF00229
(TNF) 		5 ALA A  38
ALA A  14
LEU A  93
GLY A  40
LEU A 126
 None
 1.17A 1qabF-2e7aA:
undetectable		 1qabF-2e7aA:
18.82
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 ALA A 465
LEU A 302
GLY A 462
TYR A 461
GLN A 327
 None
 1.12A 1qabF-2grvA:
undetectable		 1qabF-2grvA:
14.74
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		5 ALA A 150
ALA A 142
GLY A 124
TYR A 180
LEU A 217
 None
 1.21A 1qabF-2hqbA:
undetectable		 1qabF-2hqbA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae) 		PF00481
(PP2C) 		5 PHE A  46
ALA A 408
ALA A  54
LEU A  22
PHE A  95
 None
 1.23A 1qabF-2i0oA:
undetectable		 1qabF-2i0oA:
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.
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K

(Homo sapiens) 		PF00481
(PP2C) 		5 ALA A  98
ALA A 341
LEU A 222
GLY A  96
LEU A 293
 None
 1.24A 1qabF-2iq1A:
undetectable		 1qabF-2iq1A:
24.91
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.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 429
ALA A 425
LEU A  31
GLY A  72
LEU A   7
 None
 1.06A 1qabF-2nlxA:
undetectable		 1qabF-2nlxA:
16.49
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 ALA A 213
GLY A 209
TYR A 208
LEU A 219
GLN A 221
 None
 1.22A 1qabF-2q3oA:
undetectable		 1qabF-2q3oA:
17.72
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 PHE A 318
ALA A  16
LEU A 368
GLY A  14
LEU A 331
 None
 1.09A 1qabF-2uzzA:
undetectable		 1qabF-2uzzA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 307
ALA A 233
LEU A 266
GLY A 251
LEU A 259
 None
 1.23A 1qabF-2wk2A:
undetectable		 1qabF-2wk2A:
15.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		11 ALA A  55
ALA A  57
LEU A  63
MET A  73
GLY A  75
PHE A  77
MET A  88
TYR A  90
LEU A  97
GLN A  98
HIS A 104
 OLA  A1179 (-3.5A)
OLA  A1179 ( 3.7A)
None
OLA  A1179 ( 4.9A)
OLA  A1179 (-3.8A)
None
OLA  A1179 ( 3.8A)
OLA  A1179 (-3.7A)
None
None
OLA  A1179 (-4.5A)
 0.67A 1qabF-2wq9A:
28.2		 1qabF-2wq9A:
98.25
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.
2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
sporotrichioides) 		PF02458
(Transferase) 		5 PHE A  62
ALA A 175
LEU A  55
GLY A 315
LEU A 146
 None
 1.23A 1qabF-2zbaA:
undetectable		 1qabF-2zbaA:
16.34
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.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		5 ALA A 167
ALA A 170
LEU A  19
GLY A 160
LEU A 237
 ALA  A 167 ( 0.0A)
ALA  A 170 ( 0.0A)
LEU  A  19 ( 0.6A)
GLY  A 160 ( 0.0A)
LEU  A 237 ( 0.6A)
 1.18A 1qabF-3ab7A:
undetectable		 1qabF-3ab7A:
20.73
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.
3bjb PROBABLE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 ALA A  53
ALA A  47
GLY A  55
TYR A  58
LEU A  67
 SO4  A 320 (-3.7A)
None
SO4  A 319 (-3.2A)
None
None
 1.16A 1qabF-3bjbA:
undetectable		 1qabF-3bjbA:
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.
3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN
GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN

(Anemonia
sulcata;
Anemonia
sulcata) 		PF01353
(GFP)
PF01353
(GFP) 		5 PHE L  11
ALA A 216
LEU A 110
GLY L  37
LEU L   5
 None
None
CME  A 114 ( 4.6A)
None
None
 1.20A 1qabF-3cfhL:
undetectable		 1qabF-3cfhL:
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 LEU A 417
MET A 434
GLY A 436
TYR A 437
HIS A 480
 None
 1.20A 1qabF-3djaA:
undetectable		 1qabF-3djaA:
15.13
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.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		5 PHE A 202
ALA A 178
ALA A 176
GLY A 131
LEU A 108
 None
 1.00A 1qabF-3ds8A:
undetectable		 1qabF-3ds8A:
18.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		6 ALA A  55
ALA A  57
GLY A  75
MET A  88
TYR A  90
GLN A  98
 2T1  A 184 ( 4.3A)
2T1  A 184 (-3.6A)
2T1  A 184 (-3.8A)
2T1  A 184 (-3.1A)
2T1  A 184 (-3.8A)
2T1  A 184 (-3.0A)
 0.82A 1qabF-3fmzA:
28.0		 1qabF-3fmzA:
83.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		8 PHE A  36
ALA A  55
ALA A  57
GLY A  75
PHE A  77
MET A  88
TYR A  90
HIS A 104
 2T1  A 184 (-3.7A)
2T1  A 184 ( 4.3A)
2T1  A 184 (-3.6A)
2T1  A 184 (-3.8A)
None
2T1  A 184 (-3.1A)
2T1  A 184 (-3.8A)
2T1  A 184 (-3.7A)
 0.51A 1qabF-3fmzA:
28.0		 1qabF-3fmzA:
83.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		7 PHE A  36
ALA A  55
ALA A  57
MET A  73
GLY A  75
PHE A  77
HIS A 104
 2T1  A 184 (-3.7A)
2T1  A 184 ( 4.3A)
2T1  A 184 (-3.6A)
2T1  A 184 (-3.6A)
2T1  A 184 (-3.8A)
None
2T1  A 184 (-3.7A)
 0.75A 1qabF-3fmzA:
28.0		 1qabF-3fmzA:
83.49
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A 392
ALA A 150
LEU A 187
GLY A 388
LEU A 153
 None
 1.15A 1qabF-3g05A:
undetectable		 1qabF-3g05A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 214
ALA A 216
PHE A 290
TYR A 264
LEU A 266
 None
 1.17A 1qabF-3ifeA:
undetectable		 1qabF-3ifeA:
19.24
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		5 ALA D 452
LEU D 579
GLY D 447
LEU D 553
GLN D 399
 None
 1.25A 1qabF-3k70D:
undetectable		 1qabF-3k70D:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 ALA A  35
GLY A  33
PHE A  52
LEU A  65
GLN A  67
 GOL  A 255 (-3.5A)
None
None
None
None
 1.17A 1qabF-3kzvA:
undetectable		 1qabF-3kzvA:
21.84
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.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ALA A 396
ALA A 393
LEU A 380
GLY A 284
LEU A 365
 None
 1.23A 1qabF-3lpsA:
undetectable		 1qabF-3lpsA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7h PUTIDACIN L1

(Pseudomonas
putida) 		PF01453
(B_lectin) 		5 ALA A 185
ALA A 178
LEU A 148
GLY A 180
GLN A 233
 None
 1.04A 1qabF-3m7hA:
undetectable		 1qabF-3m7hA:
21.90
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 173
LEU A  29
GLY A 176
PHE A 179
LEU A  57
 None
 1.22A 1qabF-3m9vA:
undetectable		 1qabF-3m9vA:
17.61
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 ALA A 336
LEU A 514
MET A 317
GLY A 315
LEU A 270
 None
 1.17A 1qabF-3o98A:
undetectable		 1qabF-3o98A:
15.96
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.
3qkx UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HI_0893

(Haemophilus
influenzae) 		PF00440
(TetR_N) 		5 ALA A  40
ALA A  34
GLY A  42
TYR A  45
LEU A  54
 None
 1.21A 1qabF-3qkxA:
undetectable		 1qabF-3qkxA:
20.30
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 286
ALA A 247
GLY A 283
MET A 351
LEU A 242
 None
 1.23A 1qabF-3r0zA:
undetectable		 1qabF-3r0zA:
18.16
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.
3rd7 ACYL-COA
THIOESTERASE

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		6 ALA A  43
ALA A  41
LEU A 180
PHE A 101
MET A  61
LEU A 203
 None
 1.49A 1qabF-3rd7A:
undetectable		 1qabF-3rd7A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 ALA A  20
LEU A 342
MET A  23
GLY A  39
LEU A  25
 None
 1.24A 1qabF-3rjuA:
undetectable		 1qabF-3rjuA:
16.67
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 PHE M 116
LEU M  33
GLY M 360
LEU M 103
HIS M 159
 None
 1.25A 1qabF-3rkoM:
undetectable		 1qabF-3rkoM:
16.56
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		5 PHE A  88
ALA A 219
GLY A  40
TYR A  41
GLN A 134
 GOL  A 363 (-4.6A)
GOL  A 364 (-3.4A)
None
GOL  A 364 (-4.9A)
None
 0.93A 1qabF-3rpwA:
undetectable		 1qabF-3rpwA:
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 PHE A1848
ALA A1746
LEU A1794
GLY A1747
LEU A1750
 None
 1.24A 1qabF-3topA:
undetectable		 1qabF-3topA:
11.48
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 174
GLY A  99
PHE A 130
TYR A  96
LEU A  28
 None
 1.17A 1qabF-3zh4A:
undetectable		 1qabF-3zh4A:
17.27
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.
3zrh UBIQUITIN
THIOESTERASE ZRANB1

(Homo sapiens) 		PF02338
(OTU) 		5 ALA A 519
ALA A 514
LEU A 363
GLY A 518
LEU A 462
 None
 1.25A 1qabF-3zrhA:
undetectable		 1qabF-3zrhA:
16.34
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ALA A 147
LEU A 487
GLY A 578
TYR A 580
LEU A 583
 None
 1.14A 1qabF-4a2wA:
undetectable		 1qabF-4a2wA:
10.81
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.
4aqs LAMININ SUBUNIT
BETA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 ALA A 277
LEU A 210
GLY A 275
TYR A 274
GLN A 225
 None
 1.24A 1qabF-4aqsA:
undetectable		 1qabF-4aqsA:
16.67
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		5 PHE A 594
ALA A 476
LEU A 632
GLY A 480
LEU A 638
 None
 1.14A 1qabF-4aysA:
undetectable		 1qabF-4aysA:
13.82
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.
4b3k BETA-GLUCOSIDASE

(Streptococcus
pyogenes) 		PF00232
(Glyco_hydro_1) 		5 ALA A 197
ALA A 256
MET A 253
LEU A 225
HIS A 163
 None
 1.07A 1qabF-4b3kA:
undetectable		 1qabF-4b3kA:
16.32
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 PHE A 177
ALA A 170
ALA A 168
LEU A 226
GLY A 172
 None
 1.19A 1qabF-4b43A:
undetectable		 1qabF-4b43A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cit VANADIUM-DEPENDENT
HALOPEROXIDASE

(Zobellia
galactanivorans) 		PF01569
(PAP2) 		6 ALA A 152
ALA A  64
LEU A 439
GLY A 156
TYR A  60
LEU A  83
 None
 1.43A 1qabF-4citA:
undetectable		 1qabF-4citA:
17.90
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 177
LEU A 306
MET A 183
GLY A 178
LEU A 154
 None
None
None
NAD  A1407 (-3.6A)
None
 1.09A 1qabF-4cpdA:
undetectable		 1qabF-4cpdA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6w CLBP PEPTIDASE

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 ALA A 339
LEU A  46
GLY A 328
LEU A 362
GLN A 361
 None
None
APB  A 400 (-3.8A)
None
None
 0.93A 1qabF-4e6wA:
undetectable		 1qabF-4e6wA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ex5 LYSINE--TRNA LIGASE

(Burkholderia
thailandensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 PHE A 202
ALA A 427
GLY A 429
PHE A 417
LEU A 243
 None
None
LYS  A 601 ( 4.3A)
None
None
 1.20A 1qabF-4ex5A:
undetectable		 1qabF-4ex5A:
16.13
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.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 ALA A 116
ALA A 120
LEU A 244
GLY A 294
LEU A 246
 None
 1.09A 1qabF-4g1cA:
undetectable		 1qabF-4g1cA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 ALA A  97
LEU A 240
GLY A 134
LEU A 264
GLN A 263
 None
 1.09A 1qabF-4h8aA:
undetectable		 1qabF-4h8aA:
18.13
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00361
(Proton_antipo_M) 		5 ALA M 229
ALA M 227
LEU N 380
GLY M 231
LEU M 130
 None
 1.13A 1qabF-4heaM:
undetectable		 1qabF-4heaM:
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.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 253
ALA A 322
GLY A 251
LEU A 243
GLN A 244
 None
 1.22A 1qabF-4iv6A:
undetectable		 1qabF-4iv6A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 286
LEU A 152
GLY A 309
PHE A 296
TYR A 342
 None
 1.14A 1qabF-4kg7A:
undetectable		 1qabF-4kg7A:
20.21
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.
4kjz TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 PHE A 177
ALA A 170
ALA A 168
LEU A 226
GLY A 172
 None
 1.16A 1qabF-4kjzA:
undetectable		 1qabF-4kjzA:
16.99
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ALA E 443
LEU E 394
GLY E 440
TYR E 441
LEU E 476
 None
 1.14A 1qabF-4obuE:
undetectable		 1qabF-4obuE:
15.71
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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		5 PHE A  16
ALA A  47
ALA A  45
LEU A 369
MET A 336
 None
 1.13A 1qabF-4p0fA:
undetectable		 1qabF-4p0fA:
21.36
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		5 ALA A 185
LEU A 261
GLY A 181
LEU A 143
GLN A 142
 None
MLY  A 260 ( 4.1A)
None
None
BR  A 405 (-3.5A)
 1.06A 1qabF-4p98A:
undetectable		 1qabF-4p98A:
20.75
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 365
ALA A 369
LEU A 496
TYR A 398
LEU A 459
 None
 1.23A 1qabF-4wz9A:
undetectable		 1qabF-4wz9A:
9.76
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 ALA A 129
LEU A 295
GLY A 105
PHE A 224
LEU A 101
 None
 1.23A 1qabF-4y7dA:
undetectable		 1qabF-4y7dA:
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.
5chv UBL
CARBOXYL-TERMINAL
HYDROLASE 18

(Mus musculus) 		PF00443
(UCH) 		5 ALA A 358
LEU A 275
GLY A 348
TYR A 347
LEU A 206
 None
 1.25A 1qabF-5chvA:
undetectable		 1qabF-5chvA:
19.61
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ALA A 568
ALA A 540
GLY A 448
TYR A 566
LEU A 442
 None
 1.11A 1qabF-5djwA:
undetectable		 1qabF-5djwA:
15.38
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 345
ALA A 349
GLY A 351
PHE A 364
GLN A 422
 None
 1.08A 1qabF-5e6sA:
undetectable		 1qabF-5e6sA:
11.98
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		5 ALA A  19
ALA A 138
LEU A 158
GLY A  16
LEU A 213
 None
 1.04A 1qabF-5fb3A:
undetectable		 1qabF-5fb3A:
18.13
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.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		5 PHE A  50
ALA A 144
GLY A 147
PHE A 148
LEU A 119
 None
 1.24A 1qabF-5fshA:
undetectable		 1qabF-5fshA:
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 ALA A 269
ALA A 267
LEU A 308
GLY A 250
LEU A 238
 None
 1.25A 1qabF-5gj3A:
undetectable		 1qabF-5gj3A:
21.77
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 5 PHE A  69
ALA A 246
LEU A 135
MET A 247
LEU A 185
 None
 1.24A 1qabF-5hssA:
undetectable		 1qabF-5hssA:
16.76
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 PHE A  24
ALA A 615
ALA A 612
LEU A  12
GLY A 616
 None
 1.17A 1qabF-5kvuA:
undetectable		 1qabF-5kvuA:
13.15
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.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 ALA A  72
GLY A  66
PHE A  45
TYR A  65
GLN A  63
 None
 1.19A 1qabF-5kzhA:
undetectable		 1qabF-5kzhA:
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.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 ALA A  17
GLY A  14
TYR A  11
LEU A 139
HIS A 205
 None
 1.23A 1qabF-5malA:
undetectable		 1qabF-5malA:
20.35
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 ALA A 169
ALA A 232
LEU A 258
GLY A 165
LEU A 226
 None
None
NAG  A1109 ( 4.8A)
None
None
 1.13A 1qabF-5nbsA:
undetectable		 1qabF-5nbsA:
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.
5oen SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION

(Mus musculus) 		no annotation 5 GLY B 265
PHE B 268
LEU B 258
GLN B 260
HIS B 152
 None
 1.21A 1qabF-5oenB:
undetectable		 1qabF-5oenB:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ALA A 319
LEU A 332
GLY A  59
TYR A  58
LEU A  51
 None
 1.13A 1qabF-5ohxA:
undetectable		 1qabF-5ohxA:
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 ALA A 246
LEU A 320
GLY A 249
TYR A 291
LEU A 278
 None
 1.04A 1qabF-5u1wA:
undetectable		 1qabF-5u1wA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 PHE A 102
ALA A 246
LEU A 320
GLY A 249
LEU A 278
 None
 1.23A 1qabF-5u1wA:
undetectable		 1qabF-5u1wA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A  39
ALA A 192
LEU A  32
GLY A  58
HIS A 160
 None
None
None
7SG  A 402 (-3.5A)
None
 1.17A 1qabF-5u24A:
undetectable		 1qabF-5u24A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 ALA A 255
ALA A 159
LEU A 178
GLY A 259
LEU A 196
 None
 1.18A 1qabF-5u2oA:
undetectable		 1qabF-5u2oA:
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 ALA A1319
ALA A1357
LEU A1369
GLY A1323
LEU A1388
 None
 1.14A 1qabF-5uakA:
undetectable		 1qabF-5uakA:
8.70
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 430
ALA A 426
LEU A  31
GLY A  74
LEU A   7
 None
 1.15A 1qabF-5vm1A:
undetectable		 1qabF-5vm1A:
15.27
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 PHE A 167
ALA A 180
LEU A 139
GLY A 222
LEU A 131
 None
 1.24A 1qabF-5wslA:
undetectable		 1qabF-5wslA:
22.34
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 ALA A 531
ALA A 471
LEU A 550
GLY A 532
MET A 519
 None
 1.16A 1qabF-5xfaA:
undetectable		 1qabF-5xfaA:
14.04
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.
5xjj MULTI DRUG EFFLUX
TRANSPORTER

(Camelina sativa) 		PF01554
(MatE) 		5 ALA A 307
LEU A 223
GLY A 305
LEU A 179
GLN A  44
 None
 1.04A 1qabF-5xjjA:
undetectable		 1qabF-5xjjA:
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.
5yve P2X PURINOCEPTOR 3

(Homo sapiens) 		no annotation 5 ALA A 233
LEU A 308
GLY A 236
TYR A 278
LEU A 265
 None
None
None
None
AF9  A 405 (-4.6A)
 0.98A 1qabF-5yveA:
undetectable		 1qabF-5yveA:
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 307
ALA A 233
LEU A 266
GLY A 251
LEU A 259
 None
 1.21A 1qabF-5zl9A:
undetectable		 1qabF-5zl9A:
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 PHE A 473
ALA A 486
LEU A 169
LEU A 292
HIS A 302
 None
 1.26A 1qabF-6bzcA:
undetectable		 1qabF-6bzcA:
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.
6er3 BNR/ASP-BOX REPEAT
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ALA A 120
GLY A  40
TYR A 181
LEU A  10
GLN A 179
 None
 1.23A 1qabF-6er3A:
undetectable		 1qabF-6er3A:
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.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 ALA A  25
LEU A 128
GLY A  22
PHE A  21
LEU A  54
 None
None
NAP  A 401 (-3.4A)
None
None
 1.05A 1qabF-6f2uA:
undetectable		 1qabF-6f2uA:
undetectable