SIMILAR PATTERNS OF AMINO ACIDS FOR 1RUA_H_BEZH601_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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A   4
TYR A  83
LEU A   5
GLY A  30
GLY A   8
 None
 1.35A 1ruaH-1db3A:
0.0
1ruaL-1db3A:
0.0		 1ruaH-1db3A:
19.95
1ruaL-1db3A:
19.58
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A  31
TYR A 111
LEU A  32
GLY A  57
GLY A  35
 None
None
None
None
NDP  A 701 (-3.2A)
 1.36A 1ruaH-1n7gA:
undetectable
1ruaL-1n7gA:
undetectable		 1ruaH-1n7gA:
20.47
1ruaL-1n7gA:
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.
1sb7 TRNA PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF01142
(TruD) 		5 ALA A 326
ASN A 129
TRP A 323
LEU A 126
GLY A  34
 None
 1.45A 1ruaH-1sb7A:
0.0
1ruaL-1sb7A:
0.0		 1ruaH-1sb7A:
19.95
1ruaL-1sb7A:
18.75
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 ALA P 138
TYR P  82
LEU P 140
GLY P 116
GLY P  68
 None
 1.42A 1ruaH-1svcP:
3.2
1ruaL-1svcP:
3.3		 1ruaH-1svcP:
21.74
1ruaL-1svcP:
18.77
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 ALA A  13
LEU A  31
TRP A  29
GLY A  17
TYR A  28
 None
 1.39A 1ruaH-1x2bA:
0.0
1ruaL-1x2bA:
0.0		 1ruaH-1x2bA:
19.75
1ruaL-1x2bA:
21.17
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.
1xhs HYPOTHETICAL UPF0131
PROTEIN YTFP

(Escherichia
coli) 		PF06094
(GGACT) 		5 ALA A  44
LEU A  35
GLY A 106
TRP A 108
GLY A  53
 None
 1.13A 1ruaH-1xhsA:
undetectable
1ruaL-1xhsA:
undetectable		 1ruaH-1xhsA:
19.82
1ruaL-1xhsA:
19.91
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 307
TYR A 367
LEU A 311
GLY A 312
GLY A 166
 None
 1.28A 1ruaH-1ysjA:
0.0
1ruaL-1ysjA:
0.0		 1ruaH-1ysjA:
17.06
1ruaL-1ysjA:
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C) 		5 ALA A 128
TYR A 112
LEU A 129
GLY A 131
GLY A 108
 None
 1.23A 1ruaH-2agmA:
0.0
1ruaL-2agmA:
0.0		 1ruaH-2agmA:
20.66
1ruaL-2agmA:
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ALA A 959
TYR A 825
GLY A 818
GLY A 865
TYR A 821
 None
 1.11A 1ruaH-2fgeA:
0.0
1ruaL-2fgeA:
0.0		 1ruaH-2fgeA:
12.78
1ruaL-2fgeA:
13.13
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 ALA A 404
TRP A 401
LEU A  96
GLY A  93
GLY A  45
 None
 1.21A 1ruaH-2g02A:
undetectable
1ruaL-2g02A:
undetectable		 1ruaH-2g02A:
19.54
1ruaL-2g02A:
19.05
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.
2p5z TYPE VI SECRETION
SYSTEM COMPONENT

(Escherichia
coli) 		PF05954
(Phage_GPD) 		5 LEU X  37
GLY X 323
TRP X 183
GLY X 205
TYR X 200
 None
 1.25A 1ruaH-2p5zX:
undetectable
1ruaL-2p5zX:
undetectable		 1ruaH-2p5zX:
18.99
1ruaL-2p5zX:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ALA A 286
TRP A 208
LEU A 200
GLY A 265
PHE A 267
 None
 1.39A 1ruaH-2pxjA:
undetectable
1ruaL-2pxjA:
undetectable		 1ruaH-2pxjA:
20.87
1ruaL-2pxjA:
18.90
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 ALA A 112
ASN A 111
GLY A  43
PHE A  74
GLY A  47
 MLI  A   2 (-3.2A)
None
MLI  A   2 (-3.5A)
None
None
 1.46A 1ruaH-2ri6A:
undetectable
1ruaL-2ri6A:
undetectable		 1ruaH-2ri6A:
19.80
1ruaL-2ri6A:
21.99
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.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ALA A 287
TRP A 209
LEU A 201
GLY A 266
PHE A 268
 None
 1.38A 1ruaH-2w2iA:
undetectable
1ruaL-2w2iA:
undetectable		 1ruaH-2w2iA:
19.67
1ruaL-2w2iA:
19.68
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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 5 ALA A 521
LEU A 520
PHE A 209
GLY A 208
TYR A 207
 None
 1.48A 1ruaH-2wb7A:
4.5
1ruaL-2wb7A:
3.6		 1ruaH-2wb7A:
17.48
1ruaL-2wb7A:
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 TYR A 240
LEU A 158
GLY A 245
TRP A  24
GLY A 156
 None
 1.30A 1ruaH-2wknA:
undetectable
1ruaL-2wknA:
undetectable		 1ruaH-2wknA:
21.86
1ruaL-2wknA:
18.54
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.
2ztu D(-)-3-HYDROXYBUTYRA
TE DEHYDROGENASE

(Pseudomonas
fragi) 		PF13561
(adh_short_C2) 		5 ALA A  62
ASN A  34
LEU A  73
GLY A  72
GLY A 121
 None
NAD  A 300 (-3.7A)
None
None
None
 1.19A 1ruaH-2ztuA:
undetectable
1ruaL-2ztuA:
undetectable		 1ruaH-2ztuA:
21.82
1ruaL-2ztuA:
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.
3e48 PUTATIVE
NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Staphylococcus
aureus) 		PF13460
(NAD_binding_10) 		5 ALA A 249
ASN A 113
LEU A 254
GLY A 253
TYR A 107
 None
 1.08A 1ruaH-3e48A:
undetectable
1ruaL-3e48A:
undetectable		 1ruaH-3e48A:
18.95
1ruaL-3e48A:
20.82
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A 100
LEU A  99
GLY A 304
PHE A 125
GLY A 124
 None
 1.21A 1ruaH-3ec7A:
undetectable
1ruaL-3ec7A:
undetectable		 1ruaH-3ec7A:
22.47
1ruaL-3ec7A:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g5y 175 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B  34
ASN B  36
TRP B  48
TYR B  51
GLY B 100
 None
 0.81A 1ruaH-3g5yB:
29.3
1ruaL-3g5yB:
14.9		 1ruaH-3g5yB:
90.87
1ruaL-3g5yB:
27.43
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.
3j9q TUBE

(Pseudomonas
aeruginosa) 		PF04985
(Phage_tube) 		5 ALA S 101
TYR S 132
GLY S  83
PHE S  81
GLY S 105
 None
 1.29A 1ruaH-3j9qS:
undetectable
1ruaL-3j9qS:
undetectable		 1ruaH-3j9qS:
20.43
1ruaL-3j9qS:
19.09
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.
3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Shewanella
oneidensis) 		PF16113
(ECH_2) 		5 ALA A 140
LEU A 136
GLY A 135
PHE A  78
GLY A 127
 None
 1.12A 1ruaH-3ju1A:
undetectable
1ruaL-3ju1A:
undetectable		 1ruaH-3ju1A:
20.82
1ruaL-3ju1A:
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.
3leo LEUKOTRIENE C4
SYNTHASE

(Homo sapiens) 		PF01124
(MAPEG) 		5 ALA A  10
LEU A  14
GLY A  15
PHE A  63
GLY A  83
 PAM  A 215 (-3.7A)
PAM  A 215 (-3.9A)
None
None
None
 1.35A 1ruaH-3leoA:
undetectable
1ruaL-3leoA:
undetectable		 1ruaH-3leoA:
21.33
1ruaL-3leoA:
16.44
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 LEU A 218
GLY A 243
PHE A 244
TRP A 200
GLY A 215
 None
 1.03A 1ruaH-3mmlA:
undetectable
1ruaL-3mmlA:
undetectable		 1ruaH-3mmlA:
22.53
1ruaL-3mmlA:
19.25
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A  10
ASN A  11
LEU A   7
PHE A  45
GLY A  42
 None
 1.02A 1ruaH-3ndaA:
undetectable
1ruaL-3ndaA:
undetectable		 1ruaH-3ndaA:
19.51
1ruaL-3ndaA:
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.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 ALA A 334
TYR A 268
LEU A 270
GLY A 363
GLY A 380
 None
 1.41A 1ruaH-3pjxA:
undetectable
1ruaL-3pjxA:
undetectable		 1ruaH-3pjxA:
18.49
1ruaL-3pjxA:
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 ALA A 240
LEU A 351
GLY A 307
PHE A 306
GLY A 246
 None
 1.49A 1ruaH-3q3qA:
undetectable
1ruaL-3q3qA:
undetectable		 1ruaH-3q3qA:
17.55
1ruaL-3q3qA:
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.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		5 ALA A 413
ASN A 414
LEU A 439
GLY A 422
GLY A 419
 None
 1.49A 1ruaH-3r31A:
undetectable
1ruaL-3r31A:
undetectable		 1ruaH-3r31A:
17.21
1ruaL-3r31A:
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ALA A 330
TYR A 331
LEU A 329
PHE A 394
TYR A  39
 None
 1.46A 1ruaH-3ziuA:
undetectable
1ruaL-3ziuA:
undetectable		 1ruaH-3ziuA:
15.06
1ruaL-3ziuA:
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.
4e8u PUTATIVE
UNCHARACTERIZED
PROTEIN T8P19.180

(Arabidopsis
thaliana) 		PF03468
(XS) 		5 ALA A 203
TYR A 204
GLY A 197
PHE A 187
GLY A 133
 None
 1.18A 1ruaH-4e8uA:
undetectable
1ruaL-4e8uA:
undetectable		 1ruaH-4e8uA:
19.65
1ruaL-4e8uA:
21.17
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.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA

(Rhodococcus
rhodochrous) 		PF00067
(p450) 		5 ALA A 469
ASN A 470
TYR A 206
PHE A 441
GLY A 497
 None
None
None
HEM  A 601 (-4.4A)
HEM  A 601 (-4.1A)
 1.44A 1ruaH-4ep6A:
undetectable
1ruaL-4ep6A:
undetectable		 1ruaH-4ep6A:
19.62
1ruaL-4ep6A:
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ALA A 290
TRP A 212
LEU A 204
GLY A 269
PHE A 271
 None
 1.45A 1ruaH-4hooA:
undetectable
1ruaL-4hooA:
undetectable		 1ruaH-4hooA:
18.32
1ruaL-4hooA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4idj FAB HEAVY CHAIN
FAB LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  33
ASN H  35
TRP H  47
PHE L  32
TYR L  96
 None
 0.75A 1ruaH-4idjH:
19.2
1ruaL-4idjH:
15.3		 1ruaH-4idjH:
50.65
1ruaL-4idjH:
26.23
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ALA A 287
TRP A 209
LEU A 201
GLY A 266
PHE A 268
 None
 1.42A 1ruaH-4lxlA:
undetectable
1ruaL-4lxlA:
undetectable		 1ruaH-4lxlA:
20.38
1ruaL-4lxlA:
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.
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ALA A 452
ASN A 298
LEU A 448
GLY A 438
PHE A 439
 None
 1.48A 1ruaH-4o7dA:
undetectable
1ruaL-4o7dA:
undetectable		 1ruaH-4o7dA:
19.75
1ruaL-4o7dA:
22.09
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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 LEU A 114
GLY A 113
PHE A  62
GLY A 105
TYR A 127
 None
 1.05A 1ruaH-4q1jA:
undetectable
1ruaL-4q1jA:
undetectable		 1ruaH-4q1jA:
22.30
1ruaL-4q1jA:
21.85
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 ALA A 346
ASN A 312
LEU A 345
GLY A 344
GLY A 293
 None
 1.25A 1ruaH-4r27A:
undetectable
1ruaL-4r27A:
undetectable		 1ruaH-4r27A:
18.45
1ruaL-4r27A:
19.77
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		5 ALA A 199
LEU A 203
GLY A 210
PHE A 211
GLY A 291
 None
 1.45A 1ruaH-4r2fA:
undetectable
1ruaL-4r2fA:
undetectable		 1ruaH-4r2fA:
18.43
1ruaL-4r2fA:
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 ALA A 120
LEU A 201
GLY A 204
PHE A 123
GLY A 124
 None
 1.28A 1ruaH-4rasA:
undetectable
1ruaL-4rasA:
undetectable		 1ruaH-4rasA:
16.29
1ruaL-4rasA:
14.12
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		5 ALA A 376
ASN A 373
LEU A 375
GLY A 352
GLY A 348
 None
 1.39A 1ruaH-4ry1A:
undetectable
1ruaL-4ry1A:
undetectable		 1ruaH-4ry1A:
18.80
1ruaL-4ry1A:
18.03
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 197
LEU A 198
PHE A 325
TRP A 463
GLY A 324
 None
 1.43A 1ruaH-4uhiA:
undetectable
1ruaL-4uhiA:
undetectable		 1ruaH-4uhiA:
19.29
1ruaL-4uhiA:
20.61
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 ALA A 250
GLY A 286
PHE A 285
GLY A 260
TYR A 261
 None
None
None
None
NAG  A 505 (-4.2A)
 1.38A 1ruaH-4wk4A:
undetectable
1ruaL-4wk4A:
undetectable		 1ruaH-4wk4A:
18.67
1ruaL-4wk4A:
18.54
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.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ALA A 288
TRP A 210
LEU A 202
GLY A 267
PHE A 269
 None
 1.40A 1ruaH-4xdoA:
undetectable
1ruaL-4xdoA:
undetectable		 1ruaH-4xdoA:
20.00
1ruaL-4xdoA:
17.44
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 ALA A  75
ASN A 407
GLY A 388
PHE A 327
GLY A 330
 None
 1.18A 1ruaH-4xz8A:
undetectable
1ruaL-4xz8A:
undetectable		 1ruaH-4xz8A:
17.29
1ruaL-4xz8A:
19.96
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.
4zwn MONOGLYCERIDE LIPASE

(Saccharomyces
cerevisiae) 		PF12146
(Hydrolase_4) 		5 ALA A 133
TYR A 145
LEU A 130
GLY A 127
GLY A 121
 None
 1.25A 1ruaH-4zwnA:
undetectable
1ruaL-4zwnA:
undetectable		 1ruaH-4zwnA:
18.34
1ruaL-4zwnA:
21.43
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ALA A  70
TYR A  71
LEU A 105
GLY A  67
GLY A 110
 None
 1.31A 1ruaH-5df0A:
8.2
1ruaL-5df0A:
4.7		 1ruaH-5df0A:
17.60
1ruaL-5df0A:
16.70
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 165
LEU A 410
GLY A 408
GLY A 403
TYR A 326
 None
 0.93A 1ruaH-5eb5A:
undetectable
1ruaL-5eb5A:
undetectable		 1ruaH-5eb5A:
18.71
1ruaL-5eb5A:
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		5 ASN A 266
LEU A 272
GLY A 279
GLY A 218
TYR A 213
 None
None
BR  A1634 (-4.4A)
None
None
 1.34A 1ruaH-5fqeA:
4.1
1ruaL-5fqeA:
4.7		 1ruaH-5fqeA:
17.64
1ruaL-5fqeA:
16.78
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		5 ALA A 612
TRP A 534
LEU A 526
GLY A 591
PHE A 593
 None
 1.35A 1ruaH-5fwjA:
undetectable
1ruaL-5fwjA:
undetectable		 1ruaH-5fwjA:
15.48
1ruaL-5fwjA:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 ASN L  36
TRP L  48
TYR L  51
GLY L 102
GLY H 225
 ASN  L  36 ( 0.6A)
TRP  L  48 ( 0.5A)
TYR  L  51 ( 1.3A)
GLY  L 102 ( 0.0A)
GLY  H 225 ( 0.0A)
 1.09A 1ruaH-5gruL:
23.5
1ruaL-5gruL:
20.5		 1ruaH-5gruL:
52.94
1ruaL-5gruL:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 ALA A  77
TYR A  51
LEU A  50
TRP A 487
GLY A  48
 None
 1.44A 1ruaH-5kjaA:
undetectable
1ruaL-5kjaA:
undetectable		 1ruaH-5kjaA:
17.87
1ruaL-5kjaA:
18.92
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.
5mdq CHITOPORIN

(Vibrio harveyi) 		no annotation 5 ASN A 248
LEU A 325
GLY A 324
TRP A 216
GLY A 141
 None
 1.46A 1ruaH-5mdqA:
undetectable
1ruaL-5mdqA:
undetectable		 1ruaH-5mdqA:
undetectable
1ruaL-5mdqA:
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  48
TYR A  60
LEU A  45
GLY A  42
GLY A  62
 None
 1.48A 1ruaH-5ulvA:
undetectable
1ruaL-5ulvA:
undetectable		 1ruaH-5ulvA:
20.82
1ruaL-5ulvA:
19.52
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.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 ALA A 452
ASN A 298
LEU A 448
GLY A 438
PHE A 439
 None
 1.46A 1ruaH-5uqeA:
undetectable
1ruaL-5uqeA:
undetectable		 1ruaH-5uqeA:
18.58
1ruaL-5uqeA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A  36
TYR A 115
LEU A  37
GLY A  62
GLY A  40
 None
None
None
None
NAP  A 402 (-3.2A)
 1.33A 1ruaH-5uzhA:
undetectable
1ruaL-5uzhA:
undetectable		 1ruaH-5uzhA:
20.56
1ruaL-5uzhA:
19.77
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		5 ALA A 581
TRP A 503
LEU A 495
GLY A 560
PHE A 562
 None
90S  A 904 (-4.7A)
None
None
None
 1.35A 1ruaH-5v9pA:
undetectable
1ruaL-5v9pA:
undetectable		 1ruaH-5v9pA:
15.25
1ruaL-5v9pA:
14.29
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.
5wml -

(-) 		no annotation 5 ALA A 144
LEU A 141
GLY A 347
GLY A 316
TYR A 317
 None
 1.38A 1ruaH-5wmlA:
undetectable
1ruaL-5wmlA:
undetectable		 1ruaH-5wmlA:
undetectable
1ruaL-5wmlA:
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.
5wq7 PUTATIVE TYPE II
SECRETION SYSTEM
PROTEIN D

(Escherichia
coli) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		5 ALA A 366
LEU A 407
GLY A 398
PHE A 400
GLY A 405
 None
 1.41A 1ruaH-5wq7A:
undetectable
1ruaL-5wq7A:
undetectable		 1ruaH-5wq7A:
17.01
1ruaL-5wq7A:
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.
5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Clostridium
beijerinckii) 		PF13407
(Peripla_BP_4) 		5 ALA X 206
ASN X  26
TRP X  29
TYR X  28
GLY X 145
 XYP  X 500 (-3.5A)
XYP  X 500 ( 4.4A)
XYP  X 500 (-4.1A)
XYP  X 500 (-4.0A)
None
 1.14A 1ruaH-5xsjX:
undetectable
1ruaL-5xsjX:
undetectable		 1ruaH-5xsjX:
20.92
1ruaL-5xsjX:
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22

(Homo sapiens) 		no annotation 5 ASN A 574
LEU A 604
GLY A 637
GLY A 649
TYR A 650
 None
 1.38A 1ruaH-5y31A:
undetectable
1ruaL-5y31A:
undetectable		 1ruaH-5y31A:
undetectable
1ruaL-5y31A:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 ALA A 407
TRP A 329
LEU A 321
GLY A 386
PHE A 388
 None
 1.36A 1ruaH-5yknA:
undetectable
1ruaL-5yknA:
undetectable		 1ruaH-5yknA:
undetectable
1ruaL-5yknA:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 ALA A 357
ASN A 266
TYR A 360
PHE A 313
GLY A 312
 None
None
None
MPD  A 704 (-4.2A)
None
 1.12A 1ruaH-5z0uA:
4.4
1ruaL-5z0uA:
6.3		 1ruaH-5z0uA:
undetectable
1ruaL-5z0uA:
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.
5z3r STEROID
DELTA-ISOMERASE

(Mycolicibacterium
neoaurum) 		no annotation 5 ALA A 136
ASN A 133
GLY A 113
PHE A 115
GLY A 130
 None
 1.43A 1ruaH-5z3rA:
undetectable
1ruaL-5z3rA:
undetectable		 1ruaH-5z3rA:
undetectable
1ruaL-5z3rA:
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 5 ALA A 303
LEU A 237
GLY A 236
PHE A 206
GLY A 203
 None
 1.10A 1ruaH-5zb8A:
undetectable
1ruaL-5zb8A:
undetectable		 1ruaH-5zb8A:
undetectable
1ruaL-5zb8A:
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 5 ALA A 581
TRP A 503
LEU A 495
GLY A 560
PHE A 562
 DNV  A 601 ( 4.8A)
None
None
None
None
 1.34A 1ruaH-6bgzA:
undetectable
1ruaL-6bgzA:
undetectable		 1ruaH-6bgzA:
undetectable
1ruaL-6bgzA:
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 5 ALA A 597
TRP A 519
LEU A 511
GLY A 576
PHE A 578
 90V  A 804 ( 4.5A)
None
None
None
None
 1.39A 1ruaH-6ek6A:
undetectable
1ruaL-6ek6A:
undetectable		 1ruaH-6ek6A:
undetectable
1ruaL-6ek6A:
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.
6feq 5D3(FAB) HEAVY CHAIN
VARIABLE DOMAIN

(Mus musculus) 		no annotation 5 ALA D  34
ASN D  36
TRP D  48
TYR D  51
GLY D 101
 None
 1.20A 1ruaH-6feqD:
22.1
1ruaL-6feqD:
14.5		 1ruaH-6feqD:
undetectable
1ruaL-6feqD:
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 5 ALA B  26
TYR B 106
LEU B  27
GLY B  52
GLY B  30
 None
None
None
None
NAP  B 403 (-3.1A)
 1.31A 1ruaH-6gplB:
undetectable
1ruaL-6gplB:
undetectable		 1ruaH-6gplB:
undetectable
1ruaL-6gplB:
undetectable