SIMILAR PATTERNS OF AMINO ACIDS FOR 3RR3_D_FLRD700_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0r PHOSDUCIN

(Bos taurus) 		PF02114
(Phosducin) 		5 VAL P 137
VAL P 217
LEU P 208
LEU P 221
SER P 154
 None
 1.09A 3rr3D-1a0rP:
undetectable		 3rr3D-1a0rP:
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.
1e7s GDP-FUCOSE
SYNTHETASE

(Escherichia
coli) 		PF01370
(Epimerase) 		5 VAL A 245
LEU A 290
LEU A 212
ALA A 219
SER A 221
 None
 1.10A 3rr3D-1e7sA:
undetectable		 3rr3D-1e7sA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 116
ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
GLY A 526
ALA A 527
 None
SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
 0.57A 3rr3D-1ebvA:
30.9		 3rr3D-1ebvA:
64.44
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 VAL A 337
LEU A 329
LEU A 346
GLY A 322
ALA A 324
 None
 1.13A 3rr3D-1fw8A:
0.0		 3rr3D-1fw8A:
21.79
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 VAL A 337
LEU A 329
LEU A 346
GLY A 323
ALA A 324
 None
 1.05A 3rr3D-1fw8A:
0.0		 3rr3D-1fw8A:
21.79
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.
1fx7 IRON-DEPENDENT
REPRESSOR IDER

(Mycobacterium
tuberculosis) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		5 VAL A 167
VAL A 174
LEU A 180
LEU A 170
VAL A 215
 None
None
None
None
SO4  A1017 ( 4.2A)
 1.04A 3rr3D-1fx7A:
0.0		 3rr3D-1fx7A:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fx7 IRON-DEPENDENT
REPRESSOR IDER

(Mycobacterium
tuberculosis) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		5 VAL A 197
LEU A 170
LEU A 154
TRP A  94
GLY A 188
 None
 1.05A 3rr3D-1fx7A:
0.0		 3rr3D-1fx7A:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 VAL A 152
ARG A 155
VAL A 109
LEU A 174
GLY A 126
 None
DPM  A 315 (-2.7A)
None
None
None
 1.08A 3rr3D-1gtkA:
0.0		 3rr3D-1gtkA:
20.48
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.
1hbr PROTEIN (HEMOGLOBIN
D)

(Gallus gallus) 		PF00042
(Globin) 		5 VAL A 132
LEU A  76
LEU A 136
GLY A  67
ALA A  65
 None
None
None
None
HEM  A 142 ( 3.9A)
 1.12A 3rr3D-1hbrA:
undetectable		 3rr3D-1hbrA:
15.85
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.
1hix ENDO-1,4-BETA-XYLANA
SE

(Streptomyces
sp. S38) 		PF00457
(Glyco_hydro_11) 		5 VAL A  27
TYR A 171
GLY A  50
ALA A  49
SER A  18
 None
 1.12A 3rr3D-1hixA:
0.0		 3rr3D-1hixA:
14.66
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.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 VAL A  48
VAL A 231
LEU A 235
GLY A 197
ALA A  45
 None
 1.08A 3rr3D-1hpgA:
0.0		 3rr3D-1hpgA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 VAL A 507
LEU A 511
LEU A 504
GLY A 538
ALA A 467
 None
 1.07A 3rr3D-1itkA:
0.0		 3rr3D-1itkA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 LEU A 359
LEU A 304
VAL A 319
ALA A 336
SER A 300
 None
 1.06A 3rr3D-1jmzA:
undetectable		 3rr3D-1jmzA:
21.13
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.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU X  69
LEU X  82
VAL X  32
GLY X  43
ALA X  90
 None
 1.06A 3rr3D-1jpdX:
undetectable		 3rr3D-1jpdX:
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A2814
VAL A2795
LEU A2852
GLY A2798
ALA A2797
 None
 1.01A 3rr3D-1js8A:
undetectable		 3rr3D-1js8A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 VAL A 127
LEU A 130
VAL A 119
GLY A  86
ALA A  87
 None
 1.11A 3rr3D-1lk5A:
undetectable		 3rr3D-1lk5A:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL E  97
LEU E 115
LEU E  78
GLY E 132
ALA E 133
 None
 1.06A 3rr3D-1nfiE:
undetectable		 3rr3D-1nfiE:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 VAL A 180
VAL A 198
VAL A 220
ALA A  85
SER A  87
 None
 1.08A 3rr3D-1nlrA:
undetectable		 3rr3D-1nlrA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9n MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN
B

(Escherichia
coli) 		PF03205
(MobB) 		5 LEU A  18
LEU A 101
VAL A 154
GLY A 156
ALA A 158
 None
 1.12A 3rr3D-1p9nA:
undetectable		 3rr3D-1p9nA:
15.86
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.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		5 VAL A 116
LEU A  60
TYR A  28
LEU A  31
GLY A 143
 None
 1.11A 3rr3D-1velA:
undetectable		 3rr3D-1velA:
16.21
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens) 		PF00514
(Arm) 		5 VAL A 619
LEU A 623
VAL A 591
GLY A 594
ALA A 595
 None
 1.04A 3rr3D-1xm9A:
0.0		 3rr3D-1xm9A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 VAL A 198
VAL A 218
LEU A 174
TYR A 181
LEU A 222
 None
 0.96A 3rr3D-1xpgA:
undetectable		 3rr3D-1xpgA:
21.86
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 VAL A 122
LEU A 113
VAL A  35
ALA A  54
SER A  58
 None
 0.97A 3rr3D-1ygpA:
undetectable		 3rr3D-1ygpA:
20.52
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		5 VAL A 270
VAL A 195
TYR A  51
GLY A 256
ALA A 255
 None
None
SO4  A 300 ( 4.9A)
SO4  A 300 (-3.8A)
SO4  A 300 (-4.0A)
 0.95A 3rr3D-1ynqA:
undetectable		 3rr3D-1ynqA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		5 VAL A  46
LEU A 106
LEU A 116
VAL A  60
GLY A  64
 None
 0.96A 3rr3D-1yoaA:
undetectable		 3rr3D-1yoaA:
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 VAL A 274
LEU A 273
GLY A 236
ALA A 235
SER A 290
 None
 1.12A 3rr3D-2ftpA:
undetectable		 3rr3D-2ftpA:
19.79
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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 VAL A 436
LEU A 517
LEU A 493
GLY A 478
ALA A 479
 None
 1.03A 3rr3D-2gjxA:
undetectable		 3rr3D-2gjxA:
22.90
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.
2hsm GLUTAMYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  73
LEU A  23
VAL A 140
GLY A 144
ALA A  35
 None
 1.02A 3rr3D-2hsmA:
undetectable		 3rr3D-2hsmA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 VAL A 392
LEU A 497
LEU A 394
GLY A 465
ALA A 478
 None
 1.00A 3rr3D-2hz7A:
undetectable		 3rr3D-2hz7A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 100
VAL A 190
GLY A 189
ALA A 188
SER A 187
 None
 1.02A 3rr3D-2olsA:
undetectable		 3rr3D-2olsA:
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.
2ooc HISTIDINE
PHOSPHOTRANSFERASE

(Caulobacter
vibrioides) 		PF01627
(Hpt) 		5 LEU A  30
LEU A  95
VAL A  65
GLY A  66
ALA A  67
 None
 1.07A 3rr3D-2oocA:
undetectable		 3rr3D-2oocA:
13.67
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.
2r1h HEMOGLOBIN SUBUNIT
BETA-4

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 VAL B 138
LEU B 142
LEU B 135
VAL B  67
GLY B  70
 None
HEM  B 148 (-4.7A)
EDO  B2775 ( 4.8A)
HEM  B 148 ( 4.0A)
HEM  B 148 ( 4.3A)
 1.08A 3rr3D-2r1hB:
undetectable		 3rr3D-2r1hB:
15.18
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.
2r48 PHOSPHOTRANSFERASE
SYSTEM (PTS)
MANNOSE-SPECIFIC
ENZYME IIBCA
COMPONENT

(Bacillus
subtilis) 		PF02302
(PTS_IIB) 		5 VAL A  67
VAL A  82
GLY A  81
ALA A  62
SER A  79
 None
 1.11A 3rr3D-2r48A:
undetectable		 3rr3D-2r48A:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		5 VAL A 211
LEU A 315
LEU A 302
GLY A 285
ALA A 284
 None
 1.09A 3rr3D-2r5fA:
undetectable		 3rr3D-2r5fA:
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 289
LEU A 272
VAL A 304
ALA A 308
SER A 310
 None
 1.07A 3rr3D-2rdxA:
undetectable		 3rr3D-2rdxA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 210
LEU A 182
VAL A 209
GLY A 209
ALA A 209
 None
 1.10A 3rr3D-2v65A:
undetectable		 3rr3D-2v65A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 VAL A  90
VAL A 290
LEU A 293
GLY A 244
ALA A 243
 HEM  A 450 (-3.2A)
HEM  A 450 (-4.6A)
HEM  A 450 (-4.4A)
HEM  A 450 (-3.4A)
HEM  A 450 (-3.5A)
 1.05A 3rr3D-2wgyA:
0.5		 3rr3D-2wgyA:
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.
2whn PILUS ASSEMBLY
PROTEIN PILC

(Thermus
thermophilus) 		PF00482
(T2SSF) 		5 VAL A 111
LEU A 148
LEU A  88
VAL A 135
GLY A 138
 None
 1.09A 3rr3D-2whnA:
undetectable		 3rr3D-2whnA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		5 VAL A 183
TYR A 159
LEU A 143
GLY A  15
ALA A  16
 None
None
None
AGS  A1272 (-3.3A)
AGS  A1272 (-4.2A)
 0.93A 3rr3D-2xj9A:
undetectable		 3rr3D-2xj9A:
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.
2y2w ARABINOFURANOSIDASE

(Bifidobacterium
longum) 		PF06964
(Alpha-L-AF_C) 		5 VAL A 108
LEU A 410
GLY A 160
ALA A 159
SER A 156
 None
 1.03A 3rr3D-2y2wA:
undetectable		 3rr3D-2y2wA:
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 373
LEU A 408
LEU A 424
GLY A 432
ALA A 431
 None
 1.12A 3rr3D-2y8nA:
1.1		 3rr3D-2y8nA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 VAL A 134
LEU A 132
VAL A 105
GLY A 107
ALA A 108
 None
 1.10A 3rr3D-2yxzA:
undetectable		 3rr3D-2yxzA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 VAL A 237
VAL A 251
LEU A 219
VAL A 275
ALA A 254
 None
 1.12A 3rr3D-3ddnA:
undetectable		 3rr3D-3ddnA:
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.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A   4
TYR A 204
LEU A 207
VAL A  72
GLY A  70
 None
 1.03A 3rr3D-3dhvA:
undetectable		 3rr3D-3dhvA:
23.03
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.
3dw8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
55 KDA REGULATORY
SUBUNIT B ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 VAL B  52
LEU B 111
VAL B 164
ALA B 166
SER B 167
 None
 0.99A 3rr3D-3dw8B:
undetectable		 3rr3D-3dw8B:
20.91
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A   4
TYR A 203
LEU A 206
GLY A  71
SER A  36
 None
 0.95A 3rr3D-3e7wA:
undetectable		 3rr3D-3e7wA:
21.93
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TYR A 203
LEU A 206
VAL A  73
GLY A  71
SER A  36
 None
 1.08A 3rr3D-3e7wA:
undetectable		 3rr3D-3e7wA:
21.93
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		5 VAL A 373
VAL A 349
LEU A 351
VAL A 128
ALA A 124
 None
 1.04A 3rr3D-3fnrA:
undetectable		 3rr3D-3fnrA:
21.63
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.
3g04 THYROTROPIN RECEPTOR

(Homo sapiens) 		PF13306
(LRR_5) 		5 VAL C 224
LEU C 184
LEU C 202
VAL C 192
ALA C 196
 None
 1.12A 3rr3D-3g04C:
undetectable		 3rr3D-3g04C:
19.79
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 141
VAL A 137
GLY A 164
ALA A 163
SER A  11
 None
 1.10A 3rr3D-3h77A:
undetectable		 3rr3D-3h77A:
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.
3jr7 UNCHARACTERIZED EGV
FAMILY PROTEIN
COG1307

([Ruminococcus]
gnavus) 		PF02645
(DegV) 		5 VAL A 263
LEU A 230
LEU A 267
VAL A 179
GLY A 293
 None
 1.10A 3rr3D-3jr7A:
1.5		 3rr3D-3jr7A:
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.
3mf9 ENDO-1,4-BETA-XYLANA
SE

(Thermopolyspora
flexuosa) 		PF00457
(Glyco_hydro_11) 		5 VAL A  28
TYR A 171
GLY A  51
ALA A  50
SER A  19
 None
 1.04A 3rr3D-3mf9A:
undetectable		 3rr3D-3mf9A:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npi TETR FAMILY
REGULATORY PROTEIN

(Corynebacterium
diphtheriae) 		PF00440
(TetR_N) 		5 ARG A  95
VAL A 207
LEU A 211
VAL A  91
GLY A  93
 None
 1.13A 3rr3D-3npiA:
undetectable		 3rr3D-3npiA:
20.88
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 VAL A 308
VAL A 331
TYR A 169
LEU A 335
VAL A 312
 None
 0.85A 3rr3D-3nztA:
undetectable		 3rr3D-3nztA:
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.
3ono RIBOSE/GALACTOSE
ISOMERASE

(Vibrio
parahaemolyticus) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		5 VAL A  68
VAL A  25
LEU A  29
LEU A  22
ALA A 133
 None
 1.07A 3rr3D-3onoA:
undetectable		 3rr3D-3onoA:
17.85
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		5 VAL A 410
LEU A 402
LEU A   2
GLY A 396
ALA A 397
 None
 1.00A 3rr3D-3oz7A:
undetectable		 3rr3D-3oz7A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6k ACETYLGLUTAMATE
KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 VAL A  46
LEU A  57
LEU A  64
VAL A  52
GLY A  50
 None
 1.12A 3rr3D-3s6kA:
undetectable		 3rr3D-3s6kA:
23.00
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.
3swh PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF10540
(Membr_traf_MHD) 		5 VAL A1395
LEU A1367
VAL A1387
ALA A1318
SER A1320
 None
 1.08A 3rr3D-3swhA:
undetectable		 3rr3D-3swhA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 VAL A  11
TYR A  36
TYR A  50
GLY A  57
ALA A  58
 None
 0.98A 3rr3D-3tfyA:
undetectable		 3rr3D-3tfyA:
15.44
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 VAL A 140
LEU A 286
LEU A 151
VAL A  42
GLY A  38
 None
 0.95A 3rr3D-3ut3A:
undetectable		 3rr3D-3ut3A:
20.51
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 VAL A 506
LEU A 510
LEU A 503
GLY A 529
ALA A 466
 None
 1.12A 3rr3D-3wxoA:
undetectable		 3rr3D-3wxoA:
20.43
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		5 LEU A  27
LEU A  67
GLY A  10
ALA A   9
SER A  55
 None
 1.10A 3rr3D-4asyA:
undetectable		 3rr3D-4asyA:
19.53
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.
4b4u BIFUNCTIONAL PROTEIN
FOLD

(Acinetobacter
baumannii) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 VAL A 227
LEU A 149
GLY A 223
ALA A 224
SER A 252
 None
 1.12A 3rr3D-4b4uA:
undetectable		 3rr3D-4b4uA:
19.55
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A1568
VAL A1549
LEU A1611
GLY A1552
ALA A1551
 None
 1.04A 3rr3D-4bedA:
undetectable		 3rr3D-4bedA:
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.
4f0a PROTEIN WNT-8

(Xenopus laevis) 		PF00110
(wnt) 		5 VAL B 148
LEU B 151
VAL B  44
GLY B  47
ALA B  48
 None
 1.07A 3rr3D-4f0aB:
1.5		 3rr3D-4f0aB:
21.05
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.
4gmf YERSINIABACTIN
BIOSYNTHETIC PROTEIN
YBTU

(Yersinia
enterocolitica) 		PF01408
(GFO_IDH_MocA) 		5 VAL A  10
VAL A 298
LEU A 302
VAL A  73
GLY A  18
 None
 1.05A 3rr3D-4gmfA:
undetectable		 3rr3D-4gmfA:
20.14
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		5 VAL A 200
VAL A 346
LEU A 385
LEU A 343
GLY A 204
 None
 1.06A 3rr3D-4h3tA:
1.4		 3rr3D-4h3tA:
22.63
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.
4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		5 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.04A 3rr3D-4hc6A:
undetectable		 3rr3D-4hc6A:
12.86
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.
4huj UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored) 		5 VAL A  63
VAL A  79
LEU A  58
GLY A 119
ALA A 120
 None
 1.03A 3rr3D-4hujA:
undetectable		 3rr3D-4hujA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		5 VAL A 155
VAL A 243
VAL A 233
GLY A 231
ALA A 230
 None
 0.89A 3rr3D-4iwsA:
undetectable		 3rr3D-4iwsA:
21.88
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.
4jd0 NUCLEOTIDYL
TRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		5 VAL A 169
LEU A 115
VAL A   6
GLY A 106
SER A 108
 None
None
None
GOL  A 314 (-4.2A)
None
 1.06A 3rr3D-4jd0A:
undetectable		 3rr3D-4jd0A:
18.50
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  23
LEU A  70
VAL A  21
GLY A  33
ALA A  88
 None
 1.07A 3rr3D-4jn7A:
undetectable		 3rr3D-4jn7A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		5 VAL A 381
VAL A 482
LEU A 484
LEU A 417
VAL A 492
 None
 1.12A 3rr3D-4m29A:
undetectable		 3rr3D-4m29A:
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 VAL A 535
VAL A 438
LEU A 325
GLY A 513
ALA A 514
 None
 1.07A 3rr3D-4pfyA:
undetectable		 3rr3D-4pfyA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.60A 3rr3D-4ph9A:
63.6		 3rr3D-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0s PROTEIN TYROSINE
PHOSPHATASE TPBA

(Pseudomonas
aeruginosa) 		PF03162
(Y_phosphatase2) 		5 LEU A 141
LEU A 116
VAL A 180
GLY A 182
ALA A 183
 None
 1.10A 3rr3D-4r0sA:
undetectable		 3rr3D-4r0sA:
15.56
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		6 VAL A 384
LEU A 341
LEU A 386
VAL A 367
GLY A 369
ALA A 368
 None
 1.28A 3rr3D-4rnwA:
undetectable		 3rr3D-4rnwA:
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 VAL A 134
LEU A 136
VAL A 117
GLY A 119
ALA A 118
 None
 1.07A 3rr3D-4rnxA:
undetectable		 3rr3D-4rnxA:
20.88
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		5 VAL A 136
VAL A 156
LEU A 160
LEU A 153
GLY A 109
 None
None
None
None
TRS  A 304 (-3.5A)
 1.00A 3rr3D-4wd0A:
undetectable		 3rr3D-4wd0A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		5 VAL A 201
LEU A 102
LEU A 203
VAL A  74
GLY A  76
 FMN  A5201 (-4.2A)
None
None
None
None
 0.83A 3rr3D-4wujA:
undetectable		 3rr3D-4wujA:
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.
4xzp GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 VAL A  33
VAL A 138
LEU A  17
LEU A 136
GLY A  37
 None
 1.00A 3rr3D-4xzpA:
undetectable		 3rr3D-4xzpA:
15.47
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		5 LEU A  24
VAL A 126
GLY A  37
ALA A  38
SER A  72
 None
 1.06A 3rr3D-4yxmA:
undetectable		 3rr3D-4yxmA:
21.10
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 VAL A 797
LEU A 560
LEU A 799
TYR A 564
GLY A 911
 None
 0.98A 3rr3D-4zdnA:
undetectable		 3rr3D-4zdnA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 ARG A 207
VAL A 213
VAL A 203
GLY A 205
SER A 209
 None
 0.94A 3rr3D-5a62A:
undetectable		 3rr3D-5a62A:
19.82
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 VAL A 143
VAL A 155
LEU A 159
GLY A 117
ALA A 118
 None
 0.96A 3rr3D-5af3A:
undetectable		 3rr3D-5af3A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq8 BT_2262
(UNCHARACTERISED
LIPOPROTEIN)

(Bacteroides
thetaiotaomicron) 		PF16403
(DUF5011)
PF16404
(DUF5012) 		5 VAL G 172
TYR G 141
LEU G 137
GLY G 202
ALA G 201
 None
 1.11A 3rr3D-5fq8G:
undetectable		 3rr3D-5fq8G:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		5 VAL A  86
VAL A 251
LEU A 246
VAL A  80
ALA A  83
 None
 1.08A 3rr3D-5frdA:
undetectable		 3rr3D-5frdA:
17.47
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		5 VAL A  94
VAL A 266
LEU A 276
GLY A 284
ALA A  55
 None
 1.08A 3rr3D-5i2uA:
undetectable		 3rr3D-5i2uA:
20.53
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 LEU A  27
LEU A  67
GLY A  10
ALA A   9
SER A  55
 None
None
TRH  A 500 (-2.9A)
None
None
 1.02A 3rr3D-5ifyA:
undetectable		 3rr3D-5ifyA:
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.
5igq E3 UBIQUITIN-PROTEIN
LIGASE RFWD2

(Homo sapiens) 		PF00400
(WD40) 		5 VAL A 447
LEU A 486
GLY A 440
ALA A 439
SER A 426
 None
 1.06A 3rr3D-5igqA:
undetectable		 3rr3D-5igqA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 116
ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
 None
ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.42A 3rr3D-5ikrA:
34.2		 3rr3D-5ikrA:
88.07
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 VAL B1368
VAL B1380
LEU B 944
LEU B1378
GLY B 962
 None
 0.90A 3rr3D-5jpnB:
undetectable		 3rr3D-5jpnB:
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 VAL B1368
VAL B1380
TYR B 946
LEU B1378
GLY B 962
 None
 1.06A 3rr3D-5jpnB:
undetectable		 3rr3D-5jpnB:
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 421
LEU A 466
TYR A 377
LEU A 199
GLY A 194
 None
 1.07A 3rr3D-5npyA:
undetectable		 3rr3D-5npyA:
20.94
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.
5ohs -

(-) 		no annotation 5 LEU A 450
VAL A 469
GLY A 472
ALA A 473
SER A 476
 None
 1.04A 3rr3D-5ohsA:
undetectable		 3rr3D-5ohsA:
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ARG A  93
VAL A  97
LEU A 101
TRP A  49
ALA A  20
 EDO  A 506 (-3.6A)
None
None
None
EDO  A 506 ( 4.9A)
 1.09A 3rr3D-5tp4A:
undetectable		 3rr3D-5tp4A:
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 VAL A 434
LEU A 303
VAL A 463
GLY A 476
ALA A 477
 None
 1.02A 3rr3D-5xilA:
undetectable		 3rr3D-5xilA:
8.30
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 VAL A 558
LEU A 560
LEU A 552
VAL A 454
GLY A 456
 None
 1.02A 3rr3D-5y09A:
undetectable		 3rr3D-5y09A:
22.78
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 380
LEU A 417
VAL A 445
GLY A 447
SER A 451
 None
 0.99A 3rr3D-6d6kA:
undetectable		 3rr3D-6d6kA:
9.13
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 VAL A 602
TRP A 496
VAL A 555
GLY A 557
SER A 561
 None
None
None
SO4  A 803 ( 4.9A)
SO4  A 803 (-3.0A)
 1.11A 3rr3D-6ekvA:
undetectable		 3rr3D-6ekvA:
22.35