SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWP_A_GCSA303

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.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		4 ILE A   9
THR A  19
HIS A  48
TYR A  73
 None
 1.24A 4qwpA-1ae7A:
undetectable		 4qwpA-1ae7A:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLU A 195
ILE A 203
THR A 200
TYR A 220
 None
 1.50A 4qwpA-1cqjA:
0.0		 4qwpA-1cqjA:
24.92
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLU A 360
TYR A   7
HIS A 145
TYR A 266
 None
 1.33A 4qwpA-1kwgA:
0.0		 4qwpA-1kwgA:
19.47
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 TYR A 161
ILE A 184
THR A  95
TYR A 339
 None
 1.36A 4qwpA-1lnlA:
0.0		 4qwpA-1lnlA:
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		4 TYR A  29
ILE A 257
THR A 149
TYR A   7
 None
 1.44A 4qwpA-1nj8A:
0.0		 4qwpA-1nj8A:
21.27
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.
1o1u GASTROTROPIN

(Homo sapiens) 		PF14651
(Lipocalin_7) 		4 GLU A 110
ILE A  36
THR A  38
TYR A 119
 None
 1.33A 4qwpA-1o1uA:
0.0		 4qwpA-1o1uA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 GLU A  58
TYR A  55
THR A  23
TYR A 114
 None
 1.12A 4qwpA-1ralA:
0.0		 4qwpA-1ralA:
20.68
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 TYR A 336
ILE A 211
THR A 215
TYR A 238
 None
 1.36A 4qwpA-1sb8A:
0.0		 4qwpA-1sb8A:
26.59
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.
1wox HEME OXYGENASE 2

(Synechocystis
sp. PCC 6803) 		PF01126
(Heme_oxygenase) 		4 TYR A 156
ILE A 141
THR A 153
TYR A  24
 None
 1.28A 4qwpA-1woxA:
0.0		 4qwpA-1woxA:
20.74
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 TYR A 350
ILE A 163
THR A 217
HIS A 147
 None
 1.47A 4qwpA-1x7fA:
undetectable		 4qwpA-1x7fA:
19.74
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.
1xvi PUTATIVE
MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 GLU A  53
ILE A 126
THR A 130
HIS A 143
 None
 0.93A 4qwpA-1xviA:
undetectable		 4qwpA-1xviA:
26.25
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 228
ILE A 183
THR A 229
TYR A 433
 None
 1.10A 4qwpA-2f43A:
undetectable		 4qwpA-2f43A:
22.20
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.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 GLU A  50
ILE A   2
HIS A  79
TYR A  37
 None
 1.42A 4qwpA-2iw1A:
undetectable		 4qwpA-2iw1A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 GLU A 109
ILE A  57
THR A 197
HIS A  23
 None
 1.43A 4qwpA-2ppyA:
0.0		 4qwpA-2ppyA:
23.81
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 GLU A 165
THR A 125
HIS A 191
TYR A 204
 None
 0.90A 4qwpA-2puzA:
undetectable		 4qwpA-2puzA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		4 GLU A  93
TYR A  71
THR A  56
TYR A 207
 None
HEM  A 500 (-3.6A)
None
HEM  A 500 (-3.5A)
 1.23A 4qwpA-2r79A:
undetectable		 4qwpA-2r79A:
26.94
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 GLU B 563
TYR B 567
THR A 334
HIS B 550
 None
 1.19A 4qwpA-2rhqB:
undetectable		 4qwpA-2rhqB:
17.12
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		4 ILE A 149
THR A 252
HIS A 167
TYR A 159
 None
None
None
POL  A1255 (-3.8A)
 1.02A 4qwpA-2wsbA:
undetectable		 4qwpA-2wsbA:
20.70
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 TYR A 325
ILE A 395
THR A 398
TYR A 390
 None
 1.38A 4qwpA-2xlrA:
undetectable		 4qwpA-2xlrA:
19.78
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.
2y9y IMITATION SWITCH
PROTEIN 1
(DEL_ATPASE)
ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF09110
(HAND)
PF09111
(SLIDE)
PF15612
(WHIM1) 		4 GLU A1041
ILE B 410
HIS B 415
TYR A 992
 None
 1.26A 4qwpA-2y9yA:
undetectable		 4qwpA-2y9yA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		4 ILE A 152
THR A 255
HIS A 170
TYR A 162
 None
 1.16A 4qwpA-3awdA:
0.9		 4qwpA-3awdA:
22.89
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 TYR A 399
THR A 397
HIS A 291
TYR A 466
 None
 1.42A 4qwpA-3b5qA:
undetectable		 4qwpA-3b5qA:
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A  50
THR A 349
HIS A  44
TYR A 239
 None
 1.46A 4qwpA-3bgaA:
undetectable		 4qwpA-3bgaA:
13.60
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 TYR A  27
THR A 325
HIS A  21
TYR A 215
 None
 1.44A 4qwpA-3decA:
undetectable		 4qwpA-3decA:
12.91
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.
3e9m OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA) 		4 GLU A 280
TYR A  70
ILE A  14
TYR A 180
 None
 1.26A 4qwpA-3e9mA:
undetectable		 4qwpA-3e9mA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 GLU A  51
TYR A  48
THR A  23
TYR A 107
 None
ACT  A 501 ( 4.3A)
None
None
 1.36A 4qwpA-3h7rA:
undetectable		 4qwpA-3h7rA:
22.94
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.
3hmb N-ACETYLMURAMOYL-L-A
LANINE AMIDASE XLYA

(Bacillus
subtilis) 		PF01510
(Amidase_2) 		4 GLU A  93
TYR A  46
THR A  54
HIS A 130
 None
None
None
ZN  A 155 (-3.3A)
 1.21A 4qwpA-3hmbA:
undetectable		 4qwpA-3hmbA:
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.
3i5p NUCLEOPORIN NUP170

(Saccharomyces
cerevisiae) 		PF03177
(Nucleoporin_C) 		4 GLU A1234
ILE A1227
THR A1228
TYR A1204
 None
 1.00A 4qwpA-3i5pA:
1.4		 4qwpA-3i5pA:
18.59
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 TYR A 261
ILE A 271
THR A 264
TYR A 409
 None
 1.43A 4qwpA-3k9tA:
undetectable		 4qwpA-3k9tA:
18.22
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.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 GLU A 304
ILE A 283
THR A 166
TYR A 298
 None
 1.09A 4qwpA-3m0eA:
undetectable		 4qwpA-3m0eA:
21.83
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 GLU A 403
ILE A  49
THR A 432
HIS A  75
 None
 1.34A 4qwpA-3m6xA:
undetectable		 4qwpA-3m6xA:
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.
3my7 ALCOHOL
DEHYDROGENASE/ACETAL
DEHYDE DEHYDROGENASE

(Vibrio
parahaemolyticus) 		PF00171
(Aldedh) 		4 GLU A  83
ILE A 440
THR A 130
HIS A 438
 None
 1.20A 4qwpA-3my7A:
undetectable		 4qwpA-3my7A:
23.81
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		4 GLU A  45
ILE A 355
HIS A 134
TYR A  50
 None
 1.08A 4qwpA-3os4A:
undetectable		 4qwpA-3os4A:
18.27
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A   5
ILE A 284
THR A 342
HIS A 280
 EDO  A 376 (-3.5A)
None
None
None
 1.36A 4qwpA-3uwcA:
undetectable		 4qwpA-3uwcA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		4 GLU A 544
TYR A 666
THR A 635
TYR A 470
 None
 1.33A 4qwpA-3wfzA:
undetectable		 4qwpA-3wfzA:
18.09
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 GLU A2073
ILE A1854
HIS A1919
TYR A1848
 None
 1.38A 4qwpA-4asiA:
undetectable		 4qwpA-4asiA:
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 GLU B 843
TYR B 878
ILE B 849
HIS B 726
 None
 1.05A 4qwpA-4f92B:
undetectable		 4qwpA-4f92B:
9.67
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 673
ILE A 666
THR A 667
TYR A 701
 TYR  A 673 ( 1.3A)
ILE  A 666 ( 0.7A)
THR  A 667 ( 0.8A)
TYR  A 701 ( 1.3A)
 1.36A 4qwpA-4flxA:
undetectable		 4qwpA-4flxA:
15.26
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 355
ILE A 401
THR A 400
TYR A 477
 None
 1.15A 4qwpA-4fysA:
undetectable		 4qwpA-4fysA:
15.03
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.
4i3c BILIRUBIN-INDUCIBLE
FLUORESCENT PROTEIN
UNAG

(Anguilla
japonica) 		PF00061
(Lipocalin) 		4 GLU A  77
ILE A  55
THR A  65
TYR A 110
 BLR  A 200 (-4.0A)
BLR  A 200 (-3.6A)
BLR  A 200 ( 4.0A)
BLR  A 200 ( 4.0A)
 1.23A 4qwpA-4i3cA:
undetectable		 4qwpA-4i3cA:
19.92
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.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLU A  98
ILE A 153
THR A 148
TYR A 201
 1PE  A 307 (-3.8A)
1PE  A 307 ( 4.2A)
EDO  A 303 ( 4.2A)
None
 1.45A 4qwpA-4j2hA:
undetectable		 4qwpA-4j2hA:
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.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 GLU A 198
TYR A  77
ILE A 205
THR A 209
 None
 1.37A 4qwpA-4l35A:
undetectable		 4qwpA-4l35A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 TYR A 408
ILE A 577
THR A 406
HIS A 596
 None
 1.37A 4qwpA-4qi7A:
undetectable		 4qwpA-4qi7A:
16.07
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.
4rg6 CELL DIVISION CYCLE
PROTEIN 27 HOMOLOG

(Homo sapiens) 		PF00515
(TPR_1)
PF12895
(ANAPC3)
PF13181
(TPR_8) 		4 ILE A 544
THR A 547
HIS A 640
TYR A 485
 None
 1.06A 4qwpA-4rg6A:
undetectable		 4qwpA-4rg6A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqv ALGM1

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		4 GLU A 123
TYR A 216
ILE A 208
THR A 234
 None
 1.33A 4qwpA-4tqvA:
undetectable		 4qwpA-4tqvA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		4 GLU H 101
TYR H 183
ILE H 165
THR H 158
 None
 0.92A 4qwpA-4u0gH:
undetectable		 4qwpA-4u0gH:
23.72
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 GLU A 282
TYR A 206
ILE A  50
THR A 213
 HIS  A 800 (-3.0A)
HIS  A 800 (-4.4A)
HIS  A 800 ( 4.2A)
HIS  A 800 ( 4.5A)
 1.43A 4qwpA-4uy6A:
undetectable		 4qwpA-4uy6A:
25.21
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.
4v3d HB3VAR03 CIDRA
DOMAIN

(Plasmodium
falciparum) 		PF03011
(PFEMP) 		4 GLU A 671
ILE A 587
THR A 591
HIS A 702
 None
 1.30A 4qwpA-4v3dA:
1.1		 4qwpA-4v3dA:
19.51
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		4 GLU B 597
TYR B 707
ILE B 785
THR B 787
 None
 1.42A 4qwpA-4wwxB:
2.8		 4qwpA-4wwxB:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdk POTASSIUM CHANNEL
SUBFAMILY K MEMBER
10

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 TYR A 175
ILE A 309
THR A 278
TYR A 301
 None
 1.21A 4qwpA-4xdkA:
undetectable		 4qwpA-4xdkA:
22.51
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28

(Cytomegalovirus) 		PF00001
(7tm_1) 		4 GLU A 277
TYR A  40
THR A  36
TYR A 112
 None
 1.47A 4qwpA-4xt1A:
0.3		 4qwpA-4xt1A:
18.73
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		4 TYR A 386
ILE A 372
THR A 359
HIS A 363
 None
 1.23A 4qwpA-5awfA:
undetectable		 4qwpA-5awfA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		4 ILE A 922
THR A 586
HIS A 859
TYR A 627
 None
 1.34A 4qwpA-5b16A:
undetectable		 4qwpA-5b16A:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5brl STAR-RELATED LIPID
TRANSFER PROTEIN 4

(Mus musculus) 		PF01852
(START) 		4 GLU A  63
TYR A  37
THR A  33
TYR A 165
 None
 1.43A 4qwpA-5brlA:
undetectable		 4qwpA-5brlA:
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ILE A 399
THR A 401
HIS A 174
TYR A 113
 None
None
FAD  A 603 ( 3.5A)
FAD  A 603 (-4.9A)
 1.22A 4qwpA-5d79A:
undetectable		 4qwpA-5d79A:
18.91
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 TYR A 822
ILE A 858
HIS A1080
TYR A 915
 None
 1.35A 4qwpA-5ehkA:
1.5		 4qwpA-5ehkA:
13.55
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		4 GLU A  92
ILE A  67
THR A 410
HIS A 232
 None
 1.24A 4qwpA-5esoA:
undetectable		 4qwpA-5esoA:
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 GLU A 461
ILE A 484
THR A 463
HIS A 489
 None
 1.27A 4qwpA-5fkrA:
undetectable		 4qwpA-5fkrA:
17.55
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 GLU A 892
ILE A 629
HIS A 753
TYR A1015
 PNS  A1200 ( 4.7A)
None
PNS  A1200 (-4.2A)
None
 1.00A 4qwpA-5isxA:
undetectable		 4qwpA-5isxA:
18.47
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		4 ILE A 614
THR A 620
HIS A 566
TYR A  89
 None
 1.16A 4qwpA-5j44A:
undetectable		 4qwpA-5j44A:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 452
ILE A 930
THR A 933
TYR A 892
 6GA  A1015 ( 4.8A)
None
None
6GA  A1015 (-3.8A)
 1.28A 4qwpA-5j6sA:
undetectable		 4qwpA-5j6sA:
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		4 GLU A 429
ILE A 452
THR A 431
HIS A 457
 None
 1.24A 4qwpA-5jwzA:
undetectable		 4qwpA-5jwzA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 TYR A 576
ILE A 670
THR A 515
TYR A 609
 None
 1.41A 4qwpA-5k04A:
undetectable		 4qwpA-5k04A:
15.91
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 GLU B 553
ILE b 170
HIS B 264
TYR B 512
 None
EPE  B 802 (-4.6A)
None
None
 0.91A 4qwpA-5l9wB:
undetectable		 4qwpA-5l9wB:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w2h INOSITOL
POLYPHOSPHATE
MULTIKINASE,INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Homo sapiens) 		PF03770
(IPK) 		4 GLU A 173
TYR A 168
ILE A 207
TYR A 291
 None
 1.15A 4qwpA-5w2hA:
undetectable		 4qwpA-5w2hA:
23.43
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		4 GLU A 651
TYR A 646
THR A 488
TYR A 629
 None
 1.46A 4qwpA-5wx1A:
undetectable		 4qwpA-5wx1A:
16.01
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.
5xcu VH(S112C)-SARAH
CHIMERA,VH(S112C)-SA
RAH CHIMERA
VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 GLU B  55
TYR B  36
THR B  34
TYR A 102
 None
 1.23A 4qwpA-5xcuB:
undetectable		 4qwpA-5xcuB:
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		4 GLU A 162
TYR A 159
ILE A 132
THR A 131
 None
 1.20A 4qwpA-5xsyA:
undetectable		 4qwpA-5xsyA:
8.58
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 GLU A 597
TYR A 707
ILE A 785
THR A 787
 None
 1.29A 4qwpA-6cg0A:
undetectable		 4qwpA-6cg0A:
13.77
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 TYR A 707
ILE A 785
THR A 787
TYR A 559
 None
 1.49A 4qwpA-6cg0A:
undetectable		 4qwpA-6cg0A:
13.77
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 537
ILE A 394
THR A 530
TYR A 346
 None
 1.28A 4qwpA-6f91A:
undetectable		 4qwpA-6f91A:
17.00