SIMILAR PATTERNS OF AMINO ACIDS FOR 2QX6_B_ML1B233

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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 GLY A 178
GLY A 170
PHE A  97
PHE A  95
 None
 1.03A 2qx6A-1a0dA:
undetectable
2qx6B-1a0dA:
undetectable		 2qx6A-1a0dA:
18.14
2qx6B-1a0dA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		4 GLY A 241
GLY A 294
GLN A 316
PHE A  54
 None
 1.02A 2qx6A-1f76A:
undetectable
2qx6B-1f76A:
undetectable		 2qx6A-1f76A:
21.47
2qx6B-1f76A:
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.
1k6d ACETATE
COA-TRANSFERASE
ALPHA SUBUNIT

(Escherichia
coli) 		PF01144
(CoA_trans) 		4 GLY A 122
GLY A 101
GLN A 106
PHE A 117
 None
 1.03A 2qx6A-1k6dA:
2.5
2qx6B-1k6dA:
undetectable		 2qx6A-1k6dA:
23.20
2qx6B-1k6dA:
23.20
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.
1nph GELSOLIN

(Mus musculus) 		PF00626
(Gelsolin) 		4 GLY A 582
GLY A 731
GLN A 540
PHE A 567
 None
 0.90A 2qx6A-1nphA:
undetectable
2qx6B-1nphA:
undetectable		 2qx6A-1nphA:
18.86
2qx6B-1nphA:
18.86
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.
1pyt CHYMOTRYPSINOGEN C

(Bos taurus) 		PF00089
(Trypsin) 		4 TRP D 727
GLY D 719
GLY D 893
GLN D 860
 None
 1.04A 2qx6A-1pytD:
undetectable
2qx6B-1pytD:
undetectable		 2qx6A-1pytD:
21.38
2qx6B-1pytD:
21.38
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		4 TRP A 148
GLY A 221
GLY A 277
PHE A 107
 NH4  A 404 (-3.9A)
None
None
NH4  A 404 (-3.9A)
 0.94A 2qx6A-1u7gA:
undetectable
2qx6B-1u7gA:
undetectable		 2qx6A-1u7gA:
20.58
2qx6B-1u7gA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		4 TRP A1404
GLY A1401
GLY A1394
PHE A1407
 None
 1.02A 2qx6A-1ug3A:
undetectable
2qx6B-1ug3A:
undetectable		 2qx6A-1ug3A:
19.30
2qx6B-1ug3A:
19.30
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 0.92A 2qx6A-1uuoA:
undetectable
2qx6B-1uuoA:
undetectable		 2qx6A-1uuoA:
22.16
2qx6B-1uuoA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF02315
(MDH)
PF13360
(PQQ_2) 		4 GLY A 226
GLY B1010
GLN A 295
PHE A 281
 None
 0.96A 2qx6A-1w6sA:
undetectable
2qx6B-1w6sA:
undetectable		 2qx6A-1w6sA:
20.08
2qx6B-1w6sA:
20.08
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 GLY A  76
GLY A  50
GLN A  51
PHE A  54
 None
 0.92A 2qx6A-1w8gA:
undetectable
2qx6B-1w8gA:
undetectable		 2qx6A-1w8gA:
20.63
2qx6B-1w8gA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv9 ORPHAN NUCLEAR
RECEPTOR NR1I3

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 GLY B 126
GLN B 171
PHE B 167
PHE B 135
 None
 1.01A 2qx6A-1xv9B:
undetectable
2qx6B-1xv9B:
undetectable		 2qx6A-1xv9B:
20.08
2qx6B-1xv9B:
20.08
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		4 TRP A 552
GLY A 457
GLY A 476
PHE A 235
 None
 1.04A 2qx6A-2et6A:
5.2
2qx6B-2et6A:
5.2		 2qx6A-2et6A:
17.73
2qx6B-2et6A:
17.73
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 GLY A 815
GLY A 967
PHE A 988
PHE A 989
 None
 0.90A 2qx6A-2fgeA:
undetectable
2qx6B-2fgeA:
undetectable		 2qx6A-2fgeA:
12.00
2qx6B-2fgeA:
12.00
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 GLY A 433
GLY A 472
PHE A 455
PHE A 451
 None
 0.96A 2qx6A-2i0kA:
undetectable
2qx6B-2i0kA:
undetectable		 2qx6A-2i0kA:
18.32
2qx6B-2i0kA:
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.
2khc TESTIS-SPECIFIC
RNP-TYPE RNA BINDING
PROTEIN

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		4 GLY A 511
GLY A 564
PHE A 540
PHE A 543
 None
 0.97A 2qx6A-2khcA:
undetectable
2qx6B-2khcA:
undetectable		 2qx6A-2khcA:
22.17
2qx6B-2khcA:
22.17
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.
2r5k MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
10) 		PF00500
(Late_protein_L1) 		4 GLY A 195
GLY A  64
PHE A 366
PHE A  70
 None
 1.02A 2qx6A-2r5kA:
undetectable
2qx6B-2r5kA:
undetectable		 2qx6A-2r5kA:
18.79
2qx6B-2r5kA:
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 474
GLY A 635
PHE A 601
PHE A 476
 None
 0.95A 2qx6A-2vycA:
7.0
2qx6B-2vycA:
undetectable		 2qx6A-2vycA:
15.99
2qx6B-2vycA:
15.99
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.
2wst PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00541
(Adeno_knob) 		4 GLY A 174
GLY A 141
PHE A 278
PHE A 270
 None
 1.03A 2qx6A-2wstA:
undetectable
2qx6B-2wstA:
undetectable		 2qx6A-2wstA:
20.16
2qx6B-2wstA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		4 GLY A 416
GLY A 362
PHE A 402
PHE A 403
 None
 1.02A 2qx6A-2x05A:
undetectable
2qx6B-2x05A:
undetectable		 2qx6A-2x05A:
13.00
2qx6B-2x05A:
13.00
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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 310
GLY A 214
PHE A 210
PHE A 141
 None
 1.01A 2qx6A-2x3eA:
undetectable
2qx6B-2x3eA:
undetectable		 2qx6A-2x3eA:
22.50
2qx6B-2x3eA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		4 TRP A 218
GLY A 305
GLY A 311
PHE A 418
 None
 0.94A 2qx6A-2z8eA:
undetectable
2qx6B-2z8eA:
undetectable		 2qx6A-2z8eA:
22.36
2qx6B-2z8eA:
22.36
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		4 GLY A 249
GLY A  36
GLN A 469
PHE A 320
 None
 0.95A 2qx6A-2zyiA:
undetectable
2qx6B-2zyiA:
4.9		 2qx6A-2zyiA:
19.75
2qx6B-2zyiA:
19.75
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 TRP A 428
GLY A  91
GLY A  80
PHE A 496
 None
CA  A 804 (-4.0A)
None
None
 1.01A 2qx6A-3ayfA:
undetectable
2qx6B-3ayfA:
undetectable		 2qx6A-3ayfA:
13.84
2qx6B-3ayfA:
13.84
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 139
GLY A 128
PHE A 418
PHE A 421
 MYA  A   1 ( 3.8A)
None
None
MYA  A   1 ( 3.7A)
 0.99A 2qx6A-3b96A:
undetectable
2qx6B-3b96A:
undetectable		 2qx6A-3b96A:
16.92
2qx6B-3b96A:
16.92
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		4 GLY A 164
GLY A 340
PHE A 364
PHE A 366
 None
 1.03A 2qx6A-3b9tA:
undetectable
2qx6B-3b9tA:
undetectable		 2qx6A-3b9tA:
19.86
2qx6B-3b9tA:
19.86
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		4 GLY A 163
GLY A 196
GLN A 304
PHE A 205
 None
None
None
PGE  A 404 ( 4.5A)
 1.02A 2qx6A-3fnbA:
2.3
2qx6B-3fnbA:
3.0		 2qx6A-3fnbA:
19.36
2qx6B-3fnbA:
19.36
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLY A 194
GLY A 179
PHE A  45
PHE A  41
 None
 0.91A 2qx6A-3frkA:
undetectable
2qx6B-3frkA:
undetectable		 2qx6A-3frkA:
21.01
2qx6B-3frkA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc7 GENE 12 PROTEIN

(Mycobacterium
virus D29) 		PF01083
(Cutinase) 		4 GLY A 184
GLY A 215
PHE A 193
PHE A  47
 None
 1.03A 2qx6A-3hc7A:
4.3
2qx6B-3hc7A:
4.4		 2qx6A-3hc7A:
20.58
2qx6B-3hc7A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 GLY A 239
GLY A 224
PHE A 217
PHE A 244
 None
 1.00A 2qx6A-3imhA:
undetectable
2qx6B-3imhA:
undetectable		 2qx6A-3imhA:
22.16
2qx6B-3imhA:
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.
3j2j PROTEIN VP2

(Enterovirus B) 		PF00073
(Rhv) 		4 GLY C 140
GLY C  84
GLN C  88
PHE C 205
 None
 1.04A 2qx6A-3j2jC:
undetectable
2qx6B-3j2jC:
undetectable		 2qx6A-3j2jC:
19.62
2qx6B-3j2jC:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		4 GLY A  48
GLY A  27
PHE A  54
PHE A  59
 None
AMP  A 509 (-3.4A)
None
None
 0.93A 2qx6A-3kd6A:
2.9
2qx6B-3kd6A:
2.9		 2qx6A-3kd6A:
23.93
2qx6B-3kd6A:
23.93
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III

(Rhodopseudomonas
palustris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 358
GLY A 261
PHE A 257
PHE A 201
 None
 1.02A 2qx6A-3ledA:
undetectable
2qx6B-3ledA:
undetectable		 2qx6A-3ledA:
20.20
2qx6B-3ledA:
20.20
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.
3n6n RNA-DEPENDENT RNA
POLYMERASE

(Enterovirus A) 		PF00680
(RdRP_1) 		4 GLY A 268
GLY A 261
PHE A 191
PHE A 297
 None
 0.96A 2qx6A-3n6nA:
undetectable
2qx6B-3n6nA:
undetectable		 2qx6A-3n6nA:
17.99
2qx6B-3n6nA:
17.99
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.
3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Shewanella
loihica) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 174
GLY A 206
GLN A 205
PHE A 354
 None
 0.97A 2qx6A-3ntdA:
3.1
2qx6B-3ntdA:
undetectable		 2qx6A-3ntdA:
16.93
2qx6B-3ntdA:
16.93
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.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		4 GLY A 328
GLN A 327
PHE A 492
PHE A 347
 TRS  A 612 (-4.6A)
None
None
GOL  A 614 (-4.7A)
 0.93A 2qx6A-3o0yA:
undetectable
2qx6B-3o0yA:
undetectable		 2qx6A-3o0yA:
17.08
2qx6B-3o0yA:
17.08
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		4 GLY A 261
GLY A 488
PHE A 434
PHE A 430
 None
 1.03A 2qx6A-3orgA:
undetectable
2qx6B-3orgA:
undetectable		 2qx6A-3orgA:
16.30
2qx6B-3orgA:
16.30
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		4 GLY A 176
GLN A  91
PHE A  89
PHE A  85
 None
HEM  A 501 (-4.3A)
None
None
 0.72A 2qx6A-3p3lA:
undetectable
2qx6B-3p3lA:
undetectable		 2qx6A-3p3lA:
20.92
2qx6B-3p3lA:
20.92
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.
3p8a UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF13468
(Glyoxalase_3) 		4 GLY A  42
GLN A 186
PHE A 189
PHE A 270
 None
 1.03A 2qx6A-3p8aA:
undetectable
2qx6B-3p8aA:
undetectable		 2qx6A-3p8aA:
19.33
2qx6B-3p8aA:
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.
3qjp PUTATIVE
UNCHARACTERIZED
PROTEIN PH0350

(Pyrococcus
horikoshii) 		PF01881
(Cas_Cas6) 		4 GLY A 211
GLY A 121
PHE A 126
PHE A 224
 None
 1.01A 2qx6A-3qjpA:
undetectable
2qx6B-3qjpA:
undetectable		 2qx6A-3qjpA:
18.25
2qx6B-3qjpA:
18.25
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		4 GLY A 240
GLY A  15
PHE A 218
PHE A 192
 None
 1.00A 2qx6A-3r89A:
undetectable
2qx6B-3r89A:
undetectable		 2qx6A-3r89A:
24.26
2qx6B-3r89A:
24.26
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.
3ruc WBGU

(Plesiomonas
shigelloides) 		PF01370
(Epimerase) 		4 GLY A  29
GLY A  52
PHE A  74
PHE A  72
 None
NAD  A 343 (-3.0A)
None
None
 1.03A 2qx6A-3rucA:
5.3
2qx6B-3rucA:
6.0		 2qx6A-3rucA:
20.85
2qx6B-3rucA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwa FLUORESCENT PROTEIN
FP480

(Entacmaea
quadricolor) 		PF01353
(GFP) 		4 GLY A 226
GLY A 222
PHE A 149
PHE A 150
 None
 0.95A 2qx6A-3rwaA:
undetectable
2qx6B-3rwaA:
undetectable		 2qx6A-3rwaA:
20.16
2qx6B-3rwaA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 GLY A  68
GLN A 122
PHE A 126
PHE A 178
 TE7  A   1 ( 4.1A)
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
TE7  A   1 (-3.6A)
 0.20A 2qx6A-3te7A:
39.4
2qx6B-3te7A:
39.0		 2qx6A-3te7A:
100.00
2qx6B-3te7A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		4 TRP A 211
GLY A  86
GLY A 200
PHE A 429
 None
 0.98A 2qx6A-3vxiA:
undetectable
2qx6B-3vxiA:
undetectable		 2qx6A-3vxiA:
20.47
2qx6B-3vxiA:
20.47
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		4 GLY A 378
GLY A 398
PHE A 363
PHE A 368
 None
 1.04A 2qx6A-3wfzA:
undetectable
2qx6B-3wfzA:
3.6		 2qx6A-3wfzA:
16.33
2qx6B-3wfzA:
16.33
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		4 GLY A 318
GLY A 446
PHE A 403
PHE A 438
 None
 0.99A 2qx6A-4bucA:
2.4
2qx6B-4bucA:
2.3		 2qx6A-4bucA:
20.54
2qx6B-4bucA:
20.54
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 GLY A 104
GLY A 229
PHE A 304
PHE A 145
 None
None
VNL  A 401 (-4.7A)
VNL  A 401 (-4.7A)
 1.01A 2qx6A-4eygA:
4.0
2qx6B-4eygA:
undetectable		 2qx6A-4eygA:
23.08
2qx6B-4eygA:
23.08
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TRP A 268
GLY A 218
GLY A 311
PHE A 289
 None
NAP  A 502 (-3.4A)
None
None
 0.96A 2qx6A-4gi2A:
3.7
2qx6B-4gi2A:
3.7		 2qx6A-4gi2A:
21.95
2qx6B-4gi2A:
21.95
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 TRP A 209
GLY A 146
PHE A 191
PHE A 192
 None
 0.91A 2qx6A-4gl3A:
undetectable
2qx6B-4gl3A:
undetectable		 2qx6A-4gl3A:
18.31
2qx6B-4gl3A:
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLY A 927
GLY A 931
GLN A 922
PHE A 891
 None
 1.02A 2qx6A-4iugA:
undetectable
2qx6B-4iugA:
undetectable		 2qx6A-4iugA:
12.85
2qx6B-4iugA:
12.85
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.
4kbm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycobacterium
tuberculosis) 		PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1) 		4 GLY A  78
GLY A 376
PHE A 151
PHE A 106
 None
 0.88A 2qx6A-4kbmA:
undetectable
2qx6B-4kbmA:
undetectable		 2qx6A-4kbmA:
20.29
2qx6B-4kbmA:
20.29
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.
4ntq CONTACT-DEPENDENT
INHIBITOR A

(Enterobacter
cloacae) 		PF15526
(Ntox21) 		4 GLY A 189
GLY A 162
GLN A 166
PHE A 193
 None
 0.85A 2qx6A-4ntqA:
undetectable
2qx6B-4ntqA:
undetectable		 2qx6A-4ntqA:
22.31
2qx6B-4ntqA:
22.31
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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		4 TRP A  42
GLY A  83
GLY A  96
GLN A 247
 None
 0.95A 2qx6A-4petA:
undetectable
2qx6B-4petA:
undetectable		 2qx6A-4petA:
20.33
2qx6B-4petA:
20.33
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 TRP A 189
GLY A 474
PHE A 100
PHE A 102
 None
 1.04A 2qx6A-4qc8A:
undetectable
2qx6B-4qc8A:
undetectable		 2qx6A-4qc8A:
17.93
2qx6B-4qc8A:
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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 GLY A 152
GLN A 144
PHE A  61
PHE A  96
 None
PG6  A 301 (-4.1A)
None
None
 0.95A 2qx6A-4rajA:
undetectable
2qx6B-4rajA:
undetectable		 2qx6A-4rajA:
22.43
2qx6B-4rajA:
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.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 4 GLY A   7
GLY A 116
PHE A  85
PHE A  89
 None
 0.97A 2qx6A-4rkzA:
undetectable
2qx6B-4rkzA:
undetectable		 2qx6A-4rkzA:
21.55
2qx6B-4rkzA:
21.55
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 TRP A 149
GLY A 263
PHE A 332
PHE A 141
 None
 0.90A 2qx6A-4rslA:
2.6
2qx6B-4rslA:
2.6		 2qx6A-4rslA:
20.86
2qx6B-4rslA:
20.86
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 TRP A 444
GLY A 421
GLN A 150
PHE A 152
 None
None
BGC  A 707 ( 4.6A)
BGC  A 707 (-4.9A)
 0.90A 2qx6A-4tz5A:
undetectable
2qx6B-4tz5A:
undetectable		 2qx6A-4tz5A:
17.43
2qx6B-4tz5A:
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.
4ur8 KETO-DEOXY-D-GALACTA
RATE DEHYDRATASE

(Agrobacterium
tumefaciens) 		PF00701
(DHDPS) 		4 GLY A 190
GLY A 164
PHE A  49
PHE A  17
 None
None
None
OOG  A1305 (-4.0A)
 1.00A 2qx6A-4ur8A:
undetectable
2qx6B-4ur8A:
undetectable		 2qx6A-4ur8A:
22.15
2qx6B-4ur8A:
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 TRP B 362
GLY B 254
GLY B 323
GLN B 331
 None
 1.04A 2qx6A-4w5uB:
undetectable
2qx6B-4w5uB:
undetectable		 2qx6A-4w5uB:
20.54
2qx6B-4w5uB:
20.54
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 231
GLY A 105
GLN A 195
PHE A 199
PHE A 227
 None
 1.47A 2qx6A-4xoxA:
undetectable
2qx6B-4xoxA:
undetectable		 2qx6A-4xoxA:
20.60
2qx6B-4xoxA:
20.60
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 231
GLY A 106
PHE A 199
PHE A 227
 None
 0.92A 2qx6A-4xoxA:
undetectable
2qx6B-4xoxA:
undetectable		 2qx6A-4xoxA:
20.60
2qx6B-4xoxA:
20.60
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.
4y1b ANTE

(Streptomyces
sp. NRRL 2288) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TRP A 259
GLY A 209
GLY A 303
PHE A 281
 None
NAP  A 501 (-2.9A)
None
None
 0.90A 2qx6A-4y1bA:
3.8
2qx6B-4y1bA:
3.7		 2qx6A-4y1bA:
21.44
2qx6B-4y1bA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		4 GLY A 143
GLN A 277
PHE A  46
PHE A  47
 None
UNL  A 401 ( 3.2A)
UNL  A 401 ( 3.7A)
None
 0.99A 2qx6A-4yleA:
4.5
2qx6B-4yleA:
4.0		 2qx6A-4yleA:
22.52
2qx6B-4yleA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zti POLYMERASE COFACTOR
VP35,NUCLEOPROTEIN

(Zaire
ebolavirus) 		PF02097
(Filo_VP35)
PF05505
(Ebola_NP) 		4 GLY A 101
GLY A  94
PHE A 212
PHE A 208
 None
 0.84A 2qx6A-4ztiA:
undetectable
2qx6B-4ztiA:
undetectable		 2qx6A-4ztiA:
23.78
2qx6B-4ztiA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 TRP A 173
GLY A 251
GLY A 308
PHE A 132
 None
 0.99A 2qx6A-5aexA:
undetectable
2qx6B-5aexA:
undetectable		 2qx6A-5aexA:
18.86
2qx6B-5aexA:
18.86
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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		4 TRP B 159
GLY B 110
GLY B  93
PHE B 198
 None
 0.86A 2qx6A-5c8sB:
undetectable
2qx6B-5c8sB:
undetectable		 2qx6A-5c8sB:
15.54
2qx6B-5c8sB:
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		4 TRP A  36
GLY A  77
GLY A  90
GLN A 241
 None
 0.97A 2qx6A-5cm6A:
undetectable
2qx6B-5cm6A:
undetectable		 2qx6A-5cm6A:
22.22
2qx6B-5cm6A:
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.
5e66 HEMAGGLUTININ-ESTERA
SE

(Influenza D
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 GLY A 372
GLY A  42
GLN A 316
PHE A  80
 None
 0.98A 2qx6A-5e66A:
undetectable
2qx6B-5e66A:
undetectable		 2qx6A-5e66A:
18.89
2qx6B-5e66A:
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.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 310
GLY A 318
PHE A 221
PHE A 300
 None
None
SO4  A 709 (-4.7A)
SO4  A 709 (-4.8A)
 1.04A 2qx6A-5e7qA:
3.9
2qx6B-5e7qA:
3.9		 2qx6A-5e7qA:
20.44
2qx6B-5e7qA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 GLY A 101
GLY A 419
PHE A 384
PHE A 298
 None
 1.04A 2qx6A-5f9aA:
undetectable
2qx6B-5f9aA:
undetectable		 2qx6A-5f9aA:
18.14
2qx6B-5f9aA:
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		4 GLY A  78
GLY A 329
GLN A  48
PHE A  55
 None
 1.02A 2qx6A-5g0qA:
undetectable
2qx6B-5g0qA:
undetectable		 2qx6A-5g0qA:
19.70
2qx6B-5g0qA:
19.70
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 133
GLN A 271
PHE A  46
PHE A  47
 None
 0.94A 2qx6A-5hsgA:
4.3
2qx6B-5hsgA:
4.3		 2qx6A-5hsgA:
21.50
2qx6B-5hsgA:
21.50
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 4 TRP B   8
GLY B 143
GLY B 180
PHE B  23
 None
 0.87A 2qx6A-5i61B:
undetectable
2qx6B-5i61B:
undetectable		 2qx6A-5i61B:
16.89
2qx6B-5i61B:
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.
5ikg DYE-DECOLORIZING
PEROXIDASE

(Auricularia
auricula-judae) 		PF04261
(Dyp_perox) 		4 TRP A 207
GLY A  83
GLY A 196
PHE A 435
 None
 0.86A 2qx6A-5ikgA:
undetectable
2qx6B-5ikgA:
undetectable		 2qx6A-5ikgA:
21.48
2qx6B-5ikgA:
21.48
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 167
GLY A 214
PHE A 223
PHE A 225
 None
 0.82A 2qx6A-5l6fA:
undetectable
2qx6B-5l6fA:
undetectable		 2qx6A-5l6fA:
19.08
2qx6B-5l6fA:
19.08
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.
5l73 NEUROPILIN-1

(Homo sapiens) 		PF00629
(MAM) 		4 TRP A 763
GLY A 791
GLY A 681
PHE A 692
 BCN  A 903 (-3.5A)
None
None
None
 0.81A 2qx6A-5l73A:
undetectable
2qx6B-5l73A:
undetectable		 2qx6A-5l73A:
22.08
2qx6B-5l73A:
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 GLY A2307
GLY A2028
GLN A2032
PHE A2265
 None
 1.04A 2qx6A-5lkiA:
undetectable
2qx6B-5lkiA:
undetectable		 2qx6A-5lkiA:
6.99
2qx6B-5lkiA:
6.99
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.
5m95 DIVALENT METAL
CATION TRANSPORTER
MNTH

(Staphylococcus
capitis) 		PF01566
(Nramp) 		4 TRP A  53
GLY A 130
GLY A 293
PHE A 319
 None
 1.04A 2qx6A-5m95A:
undetectable
2qx6B-5m95A:
undetectable		 2qx6A-5m95A:
19.85
2qx6B-5m95A:
19.85
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 GLY A  59
GLY A 144
PHE A 235
PHE A 320
 None
None
None
NH3  A 506 ( 4.9A)
 1.02A 2qx6A-5msyA:
undetectable
2qx6B-5msyA:
undetectable		 2qx6A-5msyA:
19.35
2qx6B-5msyA:
19.35
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		5 GLY A 279
GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 1.17A 2qx6A-5mvdA:
undetectable
2qx6B-5mvdA:
undetectable		 2qx6A-5mvdA:
20.81
2qx6B-5mvdA:
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.
5t3w FUSION PROTEIN OF
NUCLEOPROTEIN AND
MINOR NUCLEOPROTEIN
VP30

(Marburg
marburgvirus) 		PF11507
(Transcript_VP30) 		4 TRP A 237
GLY A 212
GLY A 220
PHE A 245
 None
 0.87A 2qx6A-5t3wA:
undetectable
2qx6B-5t3wA:
undetectable		 2qx6A-5t3wA:
21.51
2qx6B-5t3wA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		4 GLY C  57
GLY C 373
PHE C 148
PHE C 103
 None
 0.99A 2qx6A-5tw1C:
undetectable
2qx6B-5tw1C:
undetectable		 2qx6A-5tw1C:
11.77
2qx6B-5tw1C:
11.77
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		4 GLY C  75
GLY C 373
PHE C 148
PHE C 103
 None
 0.79A 2qx6A-5tw1C:
undetectable
2qx6B-5tw1C:
undetectable		 2qx6A-5tw1C:
11.77
2qx6B-5tw1C:
11.77
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.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		4 TRP A 513
GLY A  99
GLY A 511
PHE A 102
 None
 1.01A 2qx6A-5u8zA:
undetectable
2qx6B-5u8zA:
undetectable		 2qx6A-5u8zA:
20.25
2qx6B-5u8zA:
20.25
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		4 TRP A 236
GLY A 277
GLY A 230
GLN A 193
 None
 0.89A 2qx6A-5w94A:
undetectable
2qx6B-5w94A:
undetectable		 2qx6A-5w94A:
17.31
2qx6B-5w94A:
17.31
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 4 GLY A 309
GLY A 374
GLN A 371
PHE A 338
 None
 0.89A 2qx6A-5wlhA:
undetectable
2qx6B-5wlhA:
undetectable		 2qx6A-5wlhA:
10.07
2qx6B-5wlhA:
10.07
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 GLY A  37
GLY A 109
GLN A 346
PHE A  71
 None
 0.86A 2qx6A-5x2qA:
4.4
2qx6B-5x2qA:
4.8		 2qx6A-5x2qA:
19.83
2qx6B-5x2qA:
19.83
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 GLY A 168
GLY A 538
PHE A 640
PHE A 639
 None
 0.95A 2qx6A-5x3jA:
undetectable
2qx6B-5x3jA:
undetectable		 2qx6A-5x3jA:
15.93
2qx6B-5x3jA:
15.93
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		4 GLY A  16
GLY A  23
PHE A  46
PHE A  10
 None
None
FMN  A 401 (-3.4A)
None
 0.94A 2qx6A-5x4tA:
undetectable
2qx6B-5x4tA:
undetectable		 2qx6A-5x4tA:
19.43
2qx6B-5x4tA:
19.43
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		4 GLY C 100
GLY C  23
PHE D  60
PHE D  63
 None
SF4  C 201 (-3.5A)
None
None
 1.03A 2qx6A-5xfaC:
2.6
2qx6B-5xfaC:
2.3		 2qx6A-5xfaC:
21.03
2qx6B-5xfaC:
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.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 GLY B 110
GLY B 164
PHE B 195
PHE B 194
 FAD  B 401 (-3.2A)
FAD  B 401 (-3.4A)
None
None
 0.96A 2qx6A-5y6qB:
undetectable
2qx6B-5y6qB:
undetectable		 2qx6A-5y6qB:
21.74
2qx6B-5y6qB:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 GLY A 353
GLY A 346
PHE A 368
PHE A 426
 None
 0.69A 2qx6A-5z06A:
undetectable
2qx6B-5z06A:
undetectable		 2qx6A-5z06A:
16.67
2qx6B-5z06A:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 4 TRP A 310
GLY A 408
GLY A 300
PHE A 469
 None
 0.97A 2qx6A-6c7sA:
undetectable
2qx6B-6c7sA:
undetectable		 2qx6A-6c7sA:
15.17
2qx6B-6c7sA:
15.17
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.
6co9 PROBABLE
COA-TRANSFERASE BETA
SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 GLY B 184
GLY B 142
PHE B 149
PHE B 195
 None
 0.92A 2qx6A-6co9B:
2.3
2qx6B-6co9B:
undetectable		 2qx6A-6co9B:
14.91
2qx6B-6co9B:
14.91
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 4 GLY A 316
GLY A  78
PHE A  68
PHE A  64
 None
 1.01A 2qx6A-6d0nA:
undetectable
2qx6B-6d0nA:
undetectable		 2qx6A-6d0nA:
17.83
2qx6B-6d0nA:
17.83
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 4 GLY A 428
GLY A 553
GLN A 617
PHE A 586
 None
 0.97A 2qx6A-6etiA:
undetectable
2qx6B-6etiA:
undetectable		 2qx6A-6etiA:
16.59
2qx6B-6etiA:
16.59
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 TRP A2465
GLY A2423
PHE A2532
PHE A2453
 None
 0.80A 2qx6A-6fb3A:
undetectable
2qx6B-6fb3A:
undetectable		 2qx6A-6fb3A:
19.56
2qx6B-6fb3A:
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 4 GLY A 149
GLY A 195
PHE A 204
PHE A 206
 FAD  A 600 (-3.6A)
None
None
None
 0.89A 2qx6A-6fydA:
undetectable
2qx6B-6fydA:
undetectable		 2qx6A-6fydA:
18.23
2qx6B-6fydA:
18.23
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.
6g42 MINOR CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 4 GLY A 106
GLN A 186
PHE A 165
PHE A 154
 None
 1.01A 2qx6A-6g42A:
undetectable
2qx6B-6g42A:
undetectable		 2qx6A-6g42A:
17.24
2qx6B-6g42A:
17.24