SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_C_PCFC1805

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.
1al8 GLYCOLATE OXIDASE

(Spinacia
oleracea) 		PF01070
(FMN_dh) 		5 GLY A 286
VAL A 294
ILE A 307
GLY A 308
ILE A  64
 FMN  A 360 (-3.3A)
None
None
FMN  A 360 (-3.5A)
None
 0.96A 5vkqC-1al8A:
0.0
5vkqD-1al8A:
0.0		 5vkqC-1al8A:
11.41
5vkqD-1al8A:
11.41
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.
1b24 PROTEIN (I-DMOI)

(Desulfurococcus
mucosus) 		PF14528
(LAGLIDADG_3) 		5 LEU A  95
ILE A  19
GLY A  16
LEU A 113
ILE A 151
 None
 0.85A 5vkqC-1b24A:
0.0
5vkqD-1b24A:
0.0		 5vkqC-1b24A:
7.51
5vkqD-1b24A:
7.51
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 120
VAL A  52
GLY A 141
PHE A 358
ILE A 354
 None
 0.96A 5vkqC-1ee2A:
0.0
5vkqD-1ee2A:
0.0		 5vkqC-1ee2A:
12.89
5vkqD-1ee2A:
12.89
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 VAL A 238
ILE A 297
GLY A 298
LEU A 301
ILE A 221
 None
 0.88A 5vkqC-1gq7A:
0.0
5vkqD-1gq7A:
0.0		 5vkqC-1gq7A:
11.47
5vkqD-1gq7A:
11.47
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 GLY A 248
LEU A 223
VAL A 185
ILE A 240
GLY A 272
 None
 0.95A 5vkqC-1gq8A:
undetectable
5vkqD-1gq8A:
undetectable		 5vkqC-1gq8A:
11.65
5vkqD-1gq8A:
11.65
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 ILE A 291
GLY A 290
LEU A 277
PHE A 264
ILE A 270
 None
 0.91A 5vkqC-1j71A:
undetectable
5vkqD-1j71A:
undetectable		 5vkqC-1j71A:
11.41
5vkqD-1j71A:
11.41
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		5 GLY A  81
LEU A 178
ILE A 127
PHE A 169
ILE A  71
 None
None
None
None
KCX  A  70 ( 4.3A)
 0.93A 5vkqC-1k38A:
0.0
5vkqD-1k38A:
0.0		 5vkqC-1k38A:
9.70
5vkqD-1k38A:
9.70
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 222
LEU A 214
VAL A 218
ILE A 188
GLY A 187
 None
 0.99A 5vkqC-1lvlA:
0.0
5vkqD-1lvlA:
0.0		 5vkqC-1lvlA:
13.86
5vkqD-1lvlA:
13.86
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.
1nnt OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		6 LEU A 267
LEU A  59
VAL A 252
ILE A   7
LEU A  34
ILE A  12
 None
 1.40A 5vkqC-1nntA:
0.0
5vkqD-1nntA:
undetectable		 5vkqC-1nntA:
11.40
5vkqD-1nntA:
11.40
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.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 GLY A 162
LEU A 165
ILE A  41
GLY A 151
ILE A  76
 None
 0.97A 5vkqC-1ohtA:
0.0
5vkqD-1ohtA:
0.0		 5vkqC-1ohtA:
8.46
5vkqD-1ohtA:
8.46
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 446
LEU A 493
ILE A 442
LEU A 414
ILE A 526
 None
 0.78A 5vkqC-1ovmA:
0.0
5vkqD-1ovmA:
0.0		 5vkqC-1ovmA:
15.67
5vkqD-1ovmA:
15.67
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 LEU A 164
ILE A  16
GLY A  15
LEU A  14
ILE A 331
 None
 0.79A 5vkqC-1r8gA:
undetectable
5vkqD-1r8gA:
undetectable		 5vkqC-1r8gA:
13.06
5vkqD-1r8gA:
13.06
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.
1rp3 RNA POLYMERASE SIGMA
FACTOR SIGMA-28
(FLIA)

(Aquifex
aeolicus) 		PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 LEU A 228
LEU A 142
ILE A 193
PHE A 138
ILE A  29
 None
 0.88A 5vkqC-1rp3A:
2.2
5vkqD-1rp3A:
2.2		 5vkqC-1rp3A:
9.54
5vkqD-1rp3A:
9.54
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 355
LEU A 358
ILE A 157
GLY A 243
ILE A 203
 HEM  A 430 (-3.6A)
None
HG  A 436 (-4.7A)
HEM  A 430 (-3.3A)
None
 0.95A 5vkqC-1s1fA:
1.2
5vkqD-1s1fA:
undetectable		 5vkqC-1s1fA:
13.22
5vkqD-1s1fA:
13.22
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 LEU A 164
ILE A  16
GLY A  15
LEU A  14
ILE A 331
 None
 0.78A 5vkqC-1tt4A:
undetectable
5vkqD-1tt4A:
undetectable		 5vkqC-1tt4A:
11.99
5vkqD-1tt4A:
11.99
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 121
VAL A  52
GLY A 142
PHE A 359
ILE A 355
 None
 0.95A 5vkqC-1u3tA:
undetectable
5vkqD-1u3tA:
undetectable		 5vkqC-1u3tA:
14.36
5vkqD-1u3tA:
14.36
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 GLY A 326
VAL A  83
ILE A 390
GLY A 391
PHE A 115
 None
 0.87A 5vkqC-1uuoA:
undetectable
5vkqD-1uuoA:
undetectable		 5vkqC-1uuoA:
12.80
5vkqD-1uuoA:
12.80
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A 783
VAL A 798
ILE A 785
GLY A 732
PHE A 746
 None
 0.99A 5vkqC-1v7vA:
2.7
5vkqD-1v7vA:
2.7		 5vkqC-1v7vA:
17.30
5vkqD-1v7vA:
17.30
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.
1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE

(Sulfolobus
solfataricus) 		PF00701
(DHDPS) 		5 LEU A  59
VAL A  62
ILE A  93
GLY A  95
ILE A  35
 None
 0.90A 5vkqC-1w3iA:
1.2
5vkqD-1w3iA:
undetectable		 5vkqC-1w3iA:
11.71
5vkqD-1w3iA:
11.71
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh) 		5 GLY A 269
LEU A  72
GLY A  80
PHE A 119
ILE A 325
 None
 0.87A 5vkqC-1w85A:
undetectable
5vkqD-1w85A:
undetectable		 5vkqC-1w85A:
12.40
5vkqD-1w85A:
12.40
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 GLY A  89
LEU A 208
ILE A  85
LEU A  94
PHE A 213
 None
 0.82A 5vkqC-1wcgA:
undetectable
5vkqD-1wcgA:
undetectable		 5vkqC-1wcgA:
13.31
5vkqD-1wcgA:
13.31
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLY A 450
LEU A 282
GLY A 433
LEU A 406
ILE A 313
 None
 0.97A 5vkqC-2aw5A:
undetectable
5vkqD-2aw5A:
1.7		 5vkqC-2aw5A:
15.26
5vkqD-2aw5A:
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 GLY A 251
LEU A 252
LEU A 210
VAL A 234
GLY A 249
LEU A 247
 None
 1.40A 5vkqC-2cukA:
undetectable
5vkqD-2cukA:
undetectable		 5vkqC-2cukA:
12.16
5vkqD-2cukA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 GLY A 455
LEU A 415
LEU A 317
VAL A 371
ILE A 453
 None
 0.97A 5vkqC-2gjxA:
undetectable
5vkqD-2gjxA:
undetectable		 5vkqC-2gjxA:
14.15
5vkqD-2gjxA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 5 GLY I 455
LEU I 415
LEU I 317
VAL I 371
ILE I 453
 None
 0.96A 5vkqC-2gk1I:
undetectable
5vkqD-2gk1I:
undetectable		 5vkqC-2gk1I:
12.94
5vkqD-2gk1I:
12.94
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.
2hqo PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Helicobacter
pylori) 		PF00072
(Response_reg) 		5 LEU A  20
ILE A 109
LEU A 113
PHE A  58
ILE A  62
 None
 0.98A 5vkqC-2hqoA:
undetectable
5vkqD-2hqoA:
undetectable		 5vkqC-2hqoA:
5.76
5vkqD-2hqoA:
5.76
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.
2i2y FUSION PROTEIN
CONSISTS OF
IMMUNOGLOBULIN
G-BINDING PROTEIN G
AND SPLICING FACTOR,
ARGININE/SERINE-RICH
3

(Streptococcus
sp. 'group G';
Homo sapiens) 		PF00076
(RRM_1)
PF01378
(IgG_binding_B) 		5 GLY A  85
VAL A 103
GLY A 111
LEU A  81
PHE A 117
 None
 0.98A 5vkqC-2i2yA:
undetectable
5vkqD-2i2yA:
undetectable		 5vkqC-2i2yA:
6.77
5vkqD-2i2yA:
6.77
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		5 GLY A 165
LEU A 153
ILE A 171
LEU A 172
ILE A 106
 None
 0.97A 5vkqC-2ilxA:
undetectable
5vkqD-2ilxA:
undetectable		 5vkqC-2ilxA:
8.74
5vkqD-2ilxA:
8.74
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.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 GLY A 109
LEU A  77
VAL A  46
ILE A  85
ILE A  26
 None
 0.89A 5vkqC-2pyhA:
undetectable
5vkqD-2pyhA:
undetectable		 5vkqC-2pyhA:
12.88
5vkqD-2pyhA:
12.88
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.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 220
LEU A 238
VAL A 203
ILE A 187
LEU A 188
 None
 0.97A 5vkqC-2tptA:
undetectable
5vkqD-2tptA:
1.0		 5vkqC-2tptA:
13.60
5vkqD-2tptA:
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 LEU A  56
ILE A 139
GLY A 202
LEU A  46
ILE A 586
 None
 0.92A 5vkqC-2vsaA:
undetectable
5vkqD-2vsaA:
undetectable		 5vkqC-2vsaA:
18.85
5vkqD-2vsaA:
18.85
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A   8
LEU A 232
ILE A  95
GLY A  94
PHE A 147
 None
 0.92A 5vkqC-2vz9A:
undetectable
5vkqD-2vz9A:
undetectable		 5vkqC-2vz9A:
22.62
5vkqD-2vz9A:
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.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 264
LEU A 263
ILE A 271
GLY A 268
ILE A 197
 None
 0.99A 5vkqC-2wbiA:
2.4
5vkqD-2wbiA:
2.4		 5vkqC-2wbiA:
12.86
5vkqD-2wbiA:
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 GLY A 295
ILE A 248
GLY A 247
LEU A 428
PHE A 311
 None
 0.99A 5vkqC-2wghA:
undetectable
5vkqD-2wghA:
undetectable		 5vkqC-2wghA:
17.03
5vkqD-2wghA:
17.03
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 LEU A 125
LEU A 117
VAL A 121
GLY A 232
ILE A 255
 None
 0.96A 5vkqC-2zm2A:
undetectable
5vkqD-2zm2A:
undetectable		 5vkqC-2zm2A:
12.50
5vkqD-2zm2A:
12.50
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 276
LEU A 108
ILE A 100
GLY A  76
ILE A 229
 None
 0.95A 5vkqC-3asaA:
undetectable
5vkqD-3asaA:
undetectable		 5vkqC-3asaA:
12.70
5vkqD-3asaA:
12.70
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.
3b2d LYMPHOCYTE ANTIGEN
86

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		5 LEU C  87
VAL C 140
ILE C 133
PHE C  53
ILE C  68
 None
 0.94A 5vkqC-3b2dC:
undetectable
5vkqD-3b2dC:
undetectable		 5vkqC-3b2dC:
5.92
5vkqD-3b2dC:
5.92
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.
3brs PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLY A 117
VAL A 221
GLY A 156
LEU A 157
ILE A 191
 None
 0.96A 5vkqC-3brsA:
undetectable
5vkqD-3brsA:
undetectable		 5vkqC-3brsA:
9.87
5vkqD-3brsA:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fse TWO-DOMAIN PROTEIN
CONTAINING
DJ-1/THIJ/PFPI-LIKE
AND FERRITIN-LIKE
DOMAINS

(Trichormus
variabilis) 		PF01965
(DJ-1_PfpI)
PF09537
(DUF2383) 		5 GLY A  31
LEU A  42
ILE A 172
LEU A 176
PHE A  96
 None
 0.75A 5vkqC-3fseA:
3.7
5vkqD-3fseA:
3.7		 5vkqC-3fseA:
12.00
5vkqD-3fseA:
12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxd PROTEIN ICMQ
PROTEIN ICMR

(Legionella
pneumophila;
Legionella
pneumophila) 		PF09475
(Dot_icm_IcmQ)
no annotation 		5 GLY A  24
ILE A  35
GLY A  36
LEU A  39
ILE B  42
 None
 0.98A 5vkqC-3fxdA:
4.0
5vkqD-3fxdA:
4.0		 5vkqC-3fxdA:
2.94
5vkqD-3fxdA:
2.94
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 GLY A 392
LEU A 369
ILE A  27
PHE A 450
ILE A 276
 None
 0.95A 5vkqC-3lvvA:
undetectable
5vkqD-3lvvA:
undetectable		 5vkqC-3lvvA:
16.79
5vkqD-3lvvA:
16.79
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.
3lw0 INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A1087
ILE A1205
LEU A1202
PHE A1274
ILE A1263
 None
 0.89A 5vkqC-3lw0A:
undetectable
5vkqD-3lw0A:
undetectable		 5vkqC-3lw0A:
10.88
5vkqD-3lw0A:
10.88
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.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		5 GLY A 626
VAL A 781
ILE A 797
GLY A 800
LEU A 606
 ATP  A   1 (-3.5A)
None
None
None
None
 0.88A 5vkqC-3nh9A:
undetectable
5vkqD-3nh9A:
undetectable		 5vkqC-3nh9A:
10.69
5vkqD-3nh9A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 GLY A 368
LEU A 419
ILE A 388
LEU A 426
ILE A  31
 None
 0.89A 5vkqC-3nqhA:
undetectable
5vkqD-3nqhA:
undetectable		 5vkqC-3nqhA:
13.46
5vkqD-3nqhA:
13.46
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.
3oo3 OXY PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		5 GLY A 177
LEU A 219
ILE A 161
LEU A 157
ILE A 200
 None
 0.78A 5vkqC-3oo3A:
1.7
5vkqD-3oo3A:
1.7		 5vkqC-3oo3A:
12.38
5vkqD-3oo3A:
12.38
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.
3our PHOSPHOTRANSFERASE
SYSTEM IIA COMPONENT

(Vibrio
vulnificus) 		PF00358
(PTS_EIIA_1) 		5 GLY B  29
LEU B  88
VAL B 139
ILE B  31
GLY B 155
 None
 1.00A 5vkqC-3ourB:
undetectable
5vkqD-3ourB:
undetectable		 5vkqC-3ourB:
7.62
5vkqD-3ourB:
7.62
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.
3q0c HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH5

(Arabidopsis
thaliana) 		no annotation 5 GLY X 452
LEU X 456
ILE X 410
GLY X 394
ILE X 363
 None
 0.96A 5vkqC-3q0cX:
undetectable
5vkqD-3q0cX:
undetectable		 5vkqC-3q0cX:
7.23
5vkqD-3q0cX:
7.23
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.
3vk5 MOEO5

(Streptomyces
viridosporus) 		PF01884
(PcrB) 		5 GLY A 167
LEU A 200
GLY A 124
PHE A 215
ILE A 183
 None
 0.92A 5vkqC-3vk5A:
undetectable
5vkqD-3vk5A:
undetectable		 5vkqC-3vk5A:
11.22
5vkqD-3vk5A:
11.22
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 LEU A 175
ILE A 122
GLY A 128
PHE A  60
ILE A   4
 None
 0.65A 5vkqC-3vvjA:
undetectable
5vkqD-3vvjA:
undetectable		 5vkqC-3vvjA:
13.18
5vkqD-3vvjA:
13.18
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.
4aso TUBR FROM BACILLUS
THURINGIENSIS
PBTOXIS

(Bacillus
thuringiensis) 		no annotation 5 GLY A  68
ILE A  90
GLY A  87
LEU A  83
ILE A  50
 None
 0.98A 5vkqC-4asoA:
undetectable
5vkqD-4asoA:
undetectable		 5vkqC-4asoA:
5.04
5vkqD-4asoA:
5.04
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		5 GLY A 139
LEU A 138
VAL A  97
ILE A 177
GLY A 163
 None
 0.96A 5vkqC-4atbA:
undetectable
5vkqD-4atbA:
undetectable		 5vkqC-4atbA:
11.57
5vkqD-4atbA:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 VAL A 293
ILE A 406
GLY A 407
LEU A 408
PHE A 314
 None
None
None
MG  A1925 ( 4.7A)
None
 0.96A 5vkqC-4ay2A:
3.9
5vkqD-4ay2A:
3.9		 5vkqC-4ay2A:
17.29
5vkqD-4ay2A:
17.29
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.
4bmb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 LEU A 138
VAL A  48
ILE A 149
GLY A 150
PHE A  97
 None
 0.96A 5vkqC-4bmbA:
undetectable
5vkqD-4bmbA:
undetectable		 5vkqC-4bmbA:
6.34
5vkqD-4bmbA:
6.34
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.
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 GLY A 321
VAL A 317
GLY A 353
PHE A 399
ILE A 411
 None
 0.94A 5vkqC-4cmnA:
undetectable
5vkqD-4cmnA:
undetectable		 5vkqC-4cmnA:
11.72
5vkqD-4cmnA:
11.72
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.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		5 LEU A 157
VAL A 169
ILE A 212
GLY A 213
LEU A 214
 None
 0.99A 5vkqC-4ctdA:
undetectable
5vkqD-4ctdA:
undetectable		 5vkqC-4ctdA:
9.74
5vkqD-4ctdA:
9.74
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 GLY A 210
LEU A 213
ILE A 246
GLY A 247
LEU A 250
 None
 0.64A 5vkqC-4czaA:
undetectable
5vkqD-4czaA:
undetectable		 5vkqC-4czaA:
13.78
5vkqD-4czaA:
13.78
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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 165
LEU A 164
ILE A 171
GLY A 170
ILE A  14
 None
 0.90A 5vkqC-4ew6A:
undetectable
5vkqD-4ew6A:
undetectable		 5vkqC-4ew6A:
11.51
5vkqD-4ew6A:
11.51
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.
4eyy ICMQ
ICMR

(Legionella
pneumophila;
Legionella
pneumophila) 		PF09475
(Dot_icm_IcmQ)
no annotation 		5 GLY Q  24
ILE Q  35
GLY Q  36
LEU Q  39
ILE R  42
 None
 0.81A 5vkqC-4eyyQ:
3.5
5vkqD-4eyyQ:
3.6		 5vkqC-4eyyQ:
7.64
5vkqD-4eyyQ:
7.64
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 GLY A 131
LEU A 135
ILE A  87
GLY A  67
ILE A 224
 None
 0.98A 5vkqC-4f0qA:
undetectable
5vkqD-4f0qA:
undetectable		 5vkqC-4f0qA:
14.84
5vkqD-4f0qA:
14.84
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.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 LEU A 138
VAL A  48
ILE A 149
GLY A 150
PHE A  97
 None
 0.95A 5vkqC-4fqzA:
undetectable
5vkqD-4fqzA:
undetectable		 5vkqC-4fqzA:
10.60
5vkqD-4fqzA:
10.60
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.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 193
ILE A 142
LEU A 138
PHE A 184
ILE A  87
 None
None
None
None
KCX  A  86 ( 4.4A)
 0.93A 5vkqC-4oh0A:
undetectable
5vkqD-4oh0A:
undetectable		 5vkqC-4oh0A:
10.11
5vkqD-4oh0A:
10.11
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 GLY A 808
LEU A 811
LEU A 732
ILE A 851
LEU A 864
 None
 0.91A 5vkqC-4otdA:
undetectable
5vkqD-4otdA:
undetectable		 5vkqC-4otdA:
11.78
5vkqD-4otdA:
11.78
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.
4qdn FLAGELLAR PROTEIN
FLGJ [PEPTIDOGLYCAN
HYDROLASE]

(Thermotoga
maritima) 		PF01832
(Glucosaminidase) 		5 GLY A  21
ILE A  26
GLY A  24
LEU A  27
ILE A  49
 None
None
None
None
PO4  A 201 ( 4.6A)
 0.86A 5vkqC-4qdnA:
undetectable
5vkqD-4qdnA:
undetectable		 5vkqC-4qdnA:
6.22
5vkqD-4qdnA:
6.22
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 242
LEU A 246
ILE A 201
GLY A 178
ILE A 147
 None
 0.96A 5vkqC-4qeoA:
2.1
5vkqD-4qeoA:
2.1		 5vkqC-4qeoA:
15.30
5vkqD-4qeoA:
15.30
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.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 GLY B 653
LEU B 524
ILE B 216
LEU B 326
PHE B 520
 None
 0.97A 5vkqC-4r3zB:
undetectable
5vkqD-4r3zB:
undetectable		 5vkqC-4r3zB:
17.32
5vkqD-4r3zB:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra4 PROTEIN KINASE C

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 GLY A 525
LEU A 528
ILE A 568
GLY A 571
LEU A 581
 None
 0.97A 5vkqC-4ra4A:
undetectable
5vkqD-4ra4A:
undetectable		 5vkqC-4ra4A:
12.52
5vkqD-4ra4A:
12.52
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 GLY A  84
LEU A  83
LEU A 181
ILE A 130
PHE A 172
 None
 0.97A 5vkqC-4s2mA:
undetectable
5vkqD-4s2mA:
undetectable		 5vkqC-4s2mA:
8.93
5vkqD-4s2mA:
8.93
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 GLY A  84
LEU A 181
ILE A 130
PHE A 172
ILE A  74
 None
 0.99A 5vkqC-4s2mA:
undetectable
5vkqD-4s2mA:
undetectable		 5vkqC-4s2mA:
8.93
5vkqD-4s2mA:
8.93
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A  28
LEU A  29
ILE A 115
GLY A 318
ILE A 299
 TRP  A 601 (-3.3A)
None
None
None
None
 0.89A 5vkqC-4us4A:
1.3
5vkqD-4us4A:
1.3		 5vkqC-4us4A:
14.25
5vkqD-4us4A:
14.25
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.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLY M 388
LEU M 302
VAL M 298
PHE M 310
ILE M 371
 None
 0.95A 5vkqC-4wj3M:
undetectable
5vkqD-4wj3M:
undetectable		 5vkqC-4wj3M:
15.27
5vkqD-4wj3M:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 LEU A 321
LEU A  87
ILE A  78
LEU A 346
PHE A 503
ILE A 507
 None
 1.36A 5vkqC-4xnuA:
1.0
5vkqD-4xnuA:
undetectable		 5vkqC-4xnuA:
16.03
5vkqD-4xnuA:
16.03
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.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF13855
(LRR_8) 		5 LEU B 130
LEU B  83
VAL B 106
LEU B 111
ILE B  52
 None
 0.95A 5vkqC-4yebB:
undetectable
5vkqD-4yebB:
undetectable		 5vkqC-4yebB:
12.40
5vkqD-4yebB:
12.40
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.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 193
ILE A 142
LEU A 138
PHE A 184
ILE A  87
 None
None
None
None
KCX  A  86 ( 4.3A)
 0.92A 5vkqC-5bohA:
undetectable
5vkqD-5bohA:
undetectable		 5vkqC-5bohA:
9.58
5vkqD-5bohA:
9.58
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.
5bth DECAPPING NUCLEASE
RAI1

(Candida
albicans) 		PF08652
(RAI1) 		5 LEU A 112
ILE A 213
GLY A 212
LEU A 218
PHE A 359
 None
 0.78A 5vkqC-5bthA:
undetectable
5vkqD-5bthA:
undetectable		 5vkqC-5bthA:
12.46
5vkqD-5bthA:
12.46
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.
5c1e PECTINESTERASE

(Aspergillus
niger) 		PF01095
(Pectinesterase) 		5 VAL A 136
ILE A  50
GLY A  51
LEU A  54
PHE A 158
 None
 0.65A 5vkqC-5c1eA:
undetectable
5vkqD-5c1eA:
undetectable		 5vkqC-5c1eA:
10.57
5vkqD-5c1eA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF13476
(AAA_23) 		5 GLY A1232
LEU A1268
LEU A  31
ILE A1258
LEU A1221
 AES  A1403 ( 3.9A)
None
None
AES  A1403 (-4.1A)
AES  A1403 ( 3.7A)
 0.90A 5vkqC-5dacA:
5.4
5vkqD-5dacA:
5.4		 5vkqC-5dacA:
13.34
5vkqD-5dacA:
13.34
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.
5dmd FLAGELLAR ASSEMBLY
FACTOR FLIW

(Geobacillus
thermodenitrificans) 		PF02623
(FliW) 		5 GLY A 121
LEU A  37
ILE A  25
GLY A  24
ILE A   3
 None
 0.78A 5vkqC-5dmdA:
undetectable
5vkqD-5dmdA:
undetectable		 5vkqC-5dmdA:
6.12
5vkqD-5dmdA:
6.12
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 GLY C  16
LEU C 252
LEU C 100
GLY C 111
PHE C  82
 None
 0.80A 5vkqC-5elpC:
undetectable
5vkqD-5elpC:
undetectable		 5vkqC-5elpC:
16.11
5vkqD-5elpC:
16.11
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 290
LEU A 293
ILE A 326
LEU A 317
ILE A 338
 MAN  A1310 ( 3.7A)
None
None
None
None
 0.96A 5vkqC-5fjjA:
undetectable
5vkqD-5fjjA:
undetectable		 5vkqC-5fjjA:
19.09
5vkqD-5fjjA:
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 LEU A 126
LEU A 142
GLY A 239
PHE A 169
ILE A 187
 PLP  A 501 ( 4.8A)
None
None
None
None
 0.85A 5vkqC-5hh9A:
undetectable
5vkqD-5hh9A:
undetectable		 5vkqC-5hh9A:
12.59
5vkqD-5hh9A:
12.59
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 GLY A  87
LEU A  86
LEU A 269
ILE A 280
GLY A 281
 None
 0.95A 5vkqC-5hxsA:
undetectable
5vkqD-5hxsA:
undetectable		 5vkqC-5hxsA:
10.47
5vkqD-5hxsA:
10.47
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		5 GLY A 124
LEU A 431
LEU A  82
GLY A 152
ILE A 413
 None
 0.58A 5vkqC-5i6cA:
2.5
5vkqD-5i6cA:
2.5		 5vkqC-5i6cA:
15.78
5vkqD-5i6cA:
15.78
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.
5iwx 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02542
(YgbB) 		5 GLY A  31
LEU A  19
ILE A 147
GLY A 146
ILE A  58
 None
 0.99A 5vkqC-5iwxA:
undetectable
5vkqD-5iwxA:
undetectable		 5vkqC-5iwxA:
8.87
5vkqD-5iwxA:
8.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 286
LEU A 289
ILE A 322
LEU A 313
ILE A 334
 MAN  A 924 ( 3.7A)
None
None
None
None
 0.93A 5vkqC-5ju6A:
undetectable
5vkqD-5ju6A:
undetectable		 5vkqC-5ju6A:
19.49
5vkqD-5ju6A:
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 GLY A 344
LEU A 314
ILE A 350
GLY A 349
PHE A 370
 None
None
EDO  A 705 ( 4.8A)
EDO  A 706 ( 4.9A)
None
 0.90A 5vkqC-5k8fA:
undetectable
5vkqD-5k8fA:
undetectable		 5vkqC-5k8fA:
17.64
5vkqD-5k8fA:
17.64
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.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 GLY A  44
VAL A 200
ILE A 216
GLY A 219
LEU A  24
 None
 0.86A 5vkqC-5lj9A:
undetectable
5vkqD-5lj9A:
undetectable		 5vkqC-5lj9A:
9.00
5vkqD-5lj9A:
9.00
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 GLY A 109
LEU A  77
VAL A  46
ILE A  85
ILE A  26
 None
 0.95A 5vkqC-5lw3A:
undetectable
5vkqD-5lw3A:
undetectable		 5vkqC-5lw3A:
12.86
5vkqD-5lw3A:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		6 LEU A 630
VAL A 535
ILE A 668
GLY A 669
LEU A 670
PHE A 491
 None
 1.42A 5vkqC-5m5pA:
undetectable
5vkqD-5m5pA:
undetectable		 5vkqC-5m5pA:
22.81
5vkqD-5m5pA:
22.81
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		5 GLY A 326
VAL A  83
ILE A 390
GLY A 391
PHE A 115
 None
 0.79A 5vkqC-5mvdA:
undetectable
5vkqD-5mvdA:
undetectable		 5vkqC-5mvdA:
13.66
5vkqD-5mvdA:
13.66
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.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLY A1426
LEU A1423
ILE A1371
GLY A1372
LEU A1375
 EDO  A2019 ( 3.4A)
EDO  A2019 (-4.4A)
None
None
None
 0.92A 5vkqC-5mznA:
undetectable
5vkqD-5mznA:
undetectable		 5vkqC-5mznA:
18.13
5vkqD-5mznA:
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.
5ngj TAIL TUBE PROTEIN

(Escherichia
virus T5) 		no annotation 5 GLY A 101
LEU A 131
GLY A 111
PHE A  72
ILE A  28
 None
CL  A 501 (-4.2A)
CL  A 502 (-3.4A)
None
None
 0.99A 5vkqC-5ngjA:
undetectable
5vkqD-5ngjA:
undetectable		 5vkqC-5ngjA:
undetectable
5vkqD-5ngjA:
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 GLY A 307
LEU A 284
ILE A 312
LEU A 340
ILE A 323
 None
 0.92A 5vkqC-5ny0A:
undetectable
5vkqD-5ny0A:
undetectable		 5vkqC-5ny0A:
undetectable
5vkqD-5ny0A:
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.
5tsc UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 GLY A 111
LEU A 119
ILE A 281
GLY A 106
LEU A 102
 None
 0.95A 5vkqC-5tscA:
undetectable
5vkqD-5tscA:
undetectable		 5vkqC-5tscA:
14.22
5vkqD-5tscA:
14.22
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 GLY A 260
VAL A 309
ILE A 267
GLY A 266
ILE A 149
 None
 0.93A 5vkqC-5uldA:
undetectable
5vkqD-5uldA:
undetectable		 5vkqC-5uldA:
13.58
5vkqD-5uldA:
13.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		7 GLY A1363
LEU A1364
LEU A1410
VAL A1414
ILE A1433
GLY A1434
LEU A1437
 PCF  A1807 (-3.2A)
PCF  A1807 (-4.7A)
None
None
PCF  A1807 (-3.2A)
PCF  A1807 (-2.4A)
PCF  A1808 ( 3.3A)
 0.28A 5vkqC-5vkqA:
48.6
5vkqD-5vkqA:
48.5		 5vkqC-5vkqA:
100.00
5vkqD-5vkqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW

(Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 LEU A 153
ILE A 161
GLY A 159
LEU A 162
ILE A  85
 None
 0.96A 5vkqC-5wuqA:
undetectable
5vkqD-5wuqA:
undetectable		 5vkqC-5wuqA:
7.23
5vkqD-5wuqA:
7.23
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 157
VAL A 194
GLY A 200
PHE A 128
ILE A 130
 None
 0.96A 5vkqC-6amsA:
undetectable
5vkqD-6amsA:
undetectable		 5vkqC-6amsA:
13.14
5vkqD-6amsA:
13.14
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 5 LEU A  87
LEU A  68
ILE A  62
GLY A  63
ILE A 129
 None
 0.94A 5vkqC-6f5zA:
undetectable
5vkqD-6f5zA:
undetectable		 5vkqC-6f5zA:
undetectable
5vkqD-6f5zA:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 156
VAL A 150
ILE A 119
GLY A 118
ILE A 163
 None
 0.96A 5vkqC-6fv4A:
2.2
5vkqD-6fv4A:
2.2		 5vkqC-6fv4A:
undetectable
5vkqD-6fv4A:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 VAL P 317
ILE P 245
LEU P 241
PHE P  29
ILE P 171
 None
None
None
NDP  P 501 (-4.4A)
NDP  P 501 (-4.0A)
 0.90A 5vkqC-6g2jP:
undetectable
5vkqD-6g2jP:
undetectable		 5vkqC-6g2jP:
undetectable
5vkqD-6g2jP:
undetectable