SIMILAR PATTERNS OF AMINO ACIDS FOR 3N5T_A_H4BA600_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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 SER A 203
ARG A 104
PHE A 207
GLU A 204
 None
 1.38A 3n5tA-1a88A:
0.0
3n5tB-1a88A:
undetectable		 3n5tA-1a88A:
20.36
3n5tB-1a88A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 SER A 201
ARG A 102
PHE A 205
GLU A 202
 None
 1.43A 3n5tA-1a8sA:
0.0
3n5tB-1a8sA:
0.0		 3n5tA-1a8sA:
21.57
3n5tB-1a8sA:
21.57
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 SER A  21
TRP A 397
PHE A 400
GLU A 396
 None
ACT  A 518 ( 4.2A)
None
None
 1.42A 3n5tA-1b2hA:
0.0
3n5tB-1b2hA:
undetectable		 3n5tA-1b2hA:
22.18
3n5tB-1b2hA:
22.18
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 SER A 356
VAL A 358
PHE A 248
GLU A 359
 None
 1.36A 3n5tA-1bg6A:
0.0
3n5tB-1bg6A:
0.0		 3n5tA-1bg6A:
22.81
3n5tB-1bg6A:
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 SER A 142
VAL A 140
TRP A 141
GLU A 143
 None
 1.34A 3n5tA-1hv5A:
0.4
3n5tB-1hv5A:
0.4		 3n5tA-1hv5A:
18.33
3n5tB-1hv5A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 SER A 313
VAL A 284
ARG A  20
GLU A 314
 None
 1.31A 3n5tA-1juhA:
undetectable
3n5tB-1juhA:
0.0		 3n5tA-1juhA:
21.80
3n5tB-1juhA:
21.80
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.43A 3n5tA-1kexA:
undetectable
3n5tB-1kexA:
undetectable		 3n5tA-1kexA:
15.02
3n5tB-1kexA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER L 236
ARG L 500
PHE L 502
GLU L 339
 None
 1.04A 3n5tA-1kfuL:
undetectable
3n5tB-1kfuL:
0.1		 3n5tA-1kfuL:
21.56
3n5tB-1kfuL:
21.56
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.35A 3n5tA-1l5jA:
0.0
3n5tB-1l5jA:
undetectable		 3n5tA-1l5jA:
20.09
3n5tB-1l5jA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 SER A 102
VAL A 104
ARG A 365
TRP A 447
 None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
 0.41A 3n5tA-1m9qA:
62.3
3n5tB-1m9qA:
62.2		 3n5tA-1m9qA:
95.17
3n5tB-1m9qA:
95.17
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 SER N 228
VAL N 122
PHE N 352
GLU N 229
 None
 1.37A 3n5tA-1nmbN:
undetectable
3n5tB-1nmbN:
undetectable		 3n5tA-1nmbN:
21.65
3n5tB-1nmbN:
21.65
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 VAL A 200
ARG A 160
TRP A  27
PHE A 154
 None
None
SO4  A 400 (-3.4A)
SO4  A 400 (-4.6A)
 1.27A 3n5tA-1nrkA:
undetectable
3n5tB-1nrkA:
undetectable		 3n5tA-1nrkA:
21.41
3n5tB-1nrkA:
21.41
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER A 236
ARG A 501
PHE A 503
GLU A 339
 None
 1.46A 3n5tA-1qxpA:
undetectable
3n5tB-1qxpA:
undetectable		 3n5tA-1qxpA:
20.27
3n5tB-1qxpA:
20.27
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 SER A 116
VAL A 114
TRP A 120
GLU A 113
 None
 1.33A 3n5tA-1ua7A:
undetectable
3n5tB-1ua7A:
undetectable		 3n5tA-1ua7A:
21.07
3n5tB-1ua7A:
21.07
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 SER A 328
VAL A 326
TRP A 286
TRP A 190
 None
 1.06A 3n5tA-1vclA:
undetectable
3n5tB-1vclA:
undetectable		 3n5tA-1vclA:
20.94
3n5tB-1vclA:
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		4 SER A 272
VAL A 332
TRP A 330
TRP A 286
 None
None
None
GOL  A1002 (-3.4A)
 1.28A 3n5tA-1x1nA:
undetectable
3n5tB-1x1nA:
undetectable		 3n5tA-1x1nA:
22.02
3n5tB-1x1nA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc5 NUCLEAR RECEPTOR
COREPRESSOR 2

(Homo sapiens) 		PF00249
(Myb_DNA-binding) 		4 SER A 433
VAL A 428
TRP A 432
GLU A 436
 None
 1.25A 3n5tA-1xc5A:
undetectable
3n5tB-1xc5A:
undetectable		 3n5tA-1xc5A:
10.97
3n5tB-1xc5A:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yks GENOME POLYPROTEIN
[CONTAINS:
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT]

(Yellow fever
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 SER A 234
VAL A 232
PHE A 240
GLU A 235
 None
 1.34A 3n5tA-1yksA:
undetectable
3n5tB-1yksA:
undetectable		 3n5tA-1yksA:
21.83
3n5tB-1yksA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A 397
TRP A 441
PHE A 485
GLU A 405
 None
 1.45A 3n5tA-1zvdA:
undetectable
3n5tB-1zvdA:
undetectable		 3n5tA-1zvdA:
22.11
3n5tB-1zvdA:
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.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		4 SER A 176
VAL A 367
PHE A 412
GLU A 177
 None
 1.27A 3n5tA-2c6sA:
undetectable
3n5tB-2c6sA:
undetectable		 3n5tA-2c6sA:
20.91
3n5tB-2c6sA:
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 VAL A  27
TRP A  15
PHE A 123
GLU A  30
 None
 1.43A 3n5tA-2d9jA:
undetectable
3n5tB-2d9jA:
undetectable		 3n5tA-2d9jA:
17.60
3n5tB-2d9jA:
17.60
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 SER A  59
VAL A  57
TRP A  60
PHE A  89
 None
None
1PE  A1021 (-4.1A)
None
 1.40A 3n5tA-2g8yA:
undetectable
3n5tB-2g8yA:
1.6		 3n5tA-2g8yA:
23.86
3n5tB-2g8yA:
23.86
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 VAL A  23
ARG A 116
PHE A  29
GLU A  27
 None
 1.20A 3n5tA-2incA:
undetectable
3n5tB-2incA:
undetectable		 3n5tA-2incA:
20.73
3n5tB-2incA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixn SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 2

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		4 SER A 283
VAL A 281
TRP A  16
PHE A 291
 None
 1.46A 3n5tA-2ixnA:
undetectable
3n5tB-2ixnA:
undetectable		 3n5tA-2ixnA:
20.17
3n5tB-2ixnA:
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.
2jnz PHL P 3 ALLERGEN

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		4 SER A  68
VAL A  66
PHE A  76
GLU A  55
 None
 1.40A 3n5tA-2jnzA:
undetectable
3n5tB-2jnzA:
undetectable		 3n5tA-2jnzA:
12.44
3n5tB-2jnzA:
12.44
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.
2o1e YCDH

(Bacillus
subtilis) 		PF01297
(ZnuA) 		4 SER A 132
VAL A 129
TRP A 130
PHE A  29
 None
 1.34A 3n5tA-2o1eA:
undetectable
3n5tB-2o1eA:
undetectable		 3n5tA-2o1eA:
20.22
3n5tB-2o1eA:
20.22
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.
2pbk KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		4 SER A 167
VAL A 164
PHE A  59
GLU A 168
 None
 1.41A 3n5tA-2pbkA:
undetectable
3n5tB-2pbkA:
undetectable		 3n5tA-2pbkA:
19.82
3n5tB-2pbkA:
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.
2pvc DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 4 SER B 299
VAL B 297
TRP B 324
PHE B 284
 None
 1.42A 3n5tA-2pvcB:
undetectable
3n5tB-2pvcB:
undetectable		 3n5tA-2pvcB:
23.68
3n5tB-2pvcB:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 ARG A 405
TRP A 372
PHE A 406
GLU A 370
 None
 1.44A 3n5tA-2qqoA:
undetectable
3n5tB-2qqoA:
undetectable		 3n5tA-2qqoA:
23.53
3n5tB-2qqoA:
23.53
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 SER A 150
VAL A 207
PHE A 276
GLU A 115
 None
 1.37A 3n5tA-2qw8A:
undetectable
3n5tB-2qw8A:
undetectable		 3n5tA-2qw8A:
21.66
3n5tB-2qw8A:
21.66
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		4 SER A 195
VAL A 193
ARG A 112
GLU A 198
 None
 1.36A 3n5tA-2rauA:
undetectable
3n5tB-2rauA:
undetectable		 3n5tA-2rauA:
21.31
3n5tB-2rauA:
21.31
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.41A 3n5tA-2rttA:
undetectable
3n5tB-2rttA:
undetectable		 3n5tA-2rttA:
15.21
3n5tB-2rttA:
15.21
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 SER A 240
VAL A 243
TRP A 241
PHE A 196
 None
 1.35A 3n5tA-2wjvA:
undetectable
3n5tB-2wjvA:
undetectable		 3n5tA-2wjvA:
20.37
3n5tB-2wjvA:
20.37
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		4 SER A 106
VAL A 109
PHE A 135
GLU A 137
 None
 1.17A 3n5tA-2xblA:
undetectable
3n5tB-2xblA:
undetectable		 3n5tA-2xblA:
19.19
3n5tB-2xblA:
19.19
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 VAL A 811
TRP A 840
PHE A 816
GLU A 826
 None
 1.46A 3n5tA-2xqxA:
undetectable
3n5tB-2xqxA:
undetectable		 3n5tA-2xqxA:
15.12
3n5tB-2xqxA:
15.12
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 SER A  21
TRP A 397
PHE A 400
GLU A 396
 None
 1.32A 3n5tA-2z23A:
undetectable
3n5tB-2z23A:
undetectable		 3n5tA-2z23A:
19.46
3n5tB-2z23A:
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.00A 3n5tA-3ckbA:
undetectable
3n5tB-3ckbA:
undetectable		 3n5tA-3ckbA:
21.88
3n5tB-3ckbA:
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.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A  54
VAL A  52
PHE A  59
GLU A  57
 None
 1.05A 3n5tA-3euwA:
undetectable
3n5tB-3euwA:
undetectable		 3n5tA-3euwA:
20.77
3n5tB-3euwA:
20.77
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.
3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Bordetella
bronchiseptica) 		PF03992
(ABM) 		4 SER A   7
VAL A  89
ARG A  76
PHE A  83
 None
None
CIT  A  97 (-3.8A)
CIT  A  97 (-4.7A)
 1.20A 3n5tA-3gz7A:
undetectable
3n5tB-3gz7A:
undetectable		 3n5tA-3gz7A:
12.81
3n5tB-3gz7A:
12.81
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		4 SER A  81
VAL A  83
PHE A  74
GLU A  80
 None
 1.04A 3n5tA-3hcyA:
undetectable
3n5tB-3hcyA:
undetectable		 3n5tA-3hcyA:
17.61
3n5tB-3hcyA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 SER A 149
TRP A 170
PHE A  83
GLU A  85
 None
 1.40A 3n5tA-3hriA:
undetectable
3n5tB-3hriA:
undetectable		 3n5tA-3hriA:
22.10
3n5tB-3hriA:
22.10
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.36A 3n5tA-3lccA:
undetectable
3n5tB-3lccA:
undetectable		 3n5tA-3lccA:
18.00
3n5tB-3lccA:
18.00
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 171
ARG A 159
PHE A 155
GLU A 168
 None
 1.24A 3n5tA-3n0gA:
undetectable
3n5tB-3n0gA:
undetectable		 3n5tA-3n0gA:
20.70
3n5tB-3n0gA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 394
TRP A 391
PHE A 388
GLU A 390
 None
None
None
GOL  A 507 (-2.5A)
 1.08A 3n5tA-3n0qA:
undetectable
3n5tB-3n0qA:
undetectable		 3n5tA-3n0qA:
22.55
3n5tB-3n0qA:
22.55
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.
3qpx FAB C2507 HEAVY
CHAIN

(Homo sapiens;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H  50
VAL H  70
TRP H  36
PHE H  29
 None
 1.45A 3n5tA-3qpxH:
undetectable
3n5tB-3qpxH:
undetectable		 3n5tA-3qpxH:
18.69
3n5tB-3qpxH:
18.69
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.
3vh1 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF16420
(ATG7_N) 		4 SER A 177
VAL A  78
TRP A 179
PHE A 172
 None
 1.24A 3n5tA-3vh1A:
undetectable
3n5tB-3vh1A:
undetectable		 3n5tA-3vh1A:
22.24
3n5tB-3vh1A:
22.24
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.06A 3n5tA-3vv4A:
undetectable
3n5tB-3vv4A:
undetectable		 3n5tA-3vv4A:
19.91
3n5tB-3vv4A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 SER A 218
TRP A 217
PHE A 136
GLU A 219
 HY0  A 401 (-3.5A)
None
None
HY0  A 401 (-4.0A)
 1.23A 3n5tA-3w0sA:
undetectable
3n5tB-3w0sA:
undetectable		 3n5tA-3w0sA:
21.96
3n5tB-3w0sA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		4 SER A 383
TRP A 147
PHE A 396
GLU A 395
 None
 1.41A 3n5tA-3wc3A:
undetectable
3n5tB-3wc3A:
undetectable		 3n5tA-3wc3A:
19.88
3n5tB-3wc3A:
19.88
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 SER A 275
VAL A 297
PHE A 278
GLU A 267
 None
 1.35A 3n5tA-3wsyA:
undetectable
3n5tB-3wsyA:
undetectable		 3n5tA-3wsyA:
21.30
3n5tB-3wsyA:
21.30
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 SER A 276
VAL A 278
ARG A 118
GLU A 279
 None
 1.14A 3n5tA-3wvsA:
undetectable
3n5tB-3wvsA:
undetectable		 3n5tA-3wvsA:
22.20
3n5tB-3wvsA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 SER A 276
VAL A 278
ARG A 368
GLU A 279
 None
 1.39A 3n5tA-3wvsA:
undetectable
3n5tB-3wvsA:
undetectable		 3n5tA-3wvsA:
22.20
3n5tB-3wvsA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 SER A 164
VAL A 166
TRP A 165
PHE A 158
 None
 0.92A 3n5tA-3zq6A:
undetectable
3n5tB-3zq6A:
undetectable		 3n5tA-3zq6A:
20.97
3n5tB-3zq6A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		4 SER A 232
ARG A 355
PHE A 359
GLU A 229
 None
 1.42A 3n5tA-4acoA:
undetectable
3n5tB-4acoA:
undetectable		 3n5tA-4acoA:
16.68
3n5tB-4acoA:
16.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 240
VAL A 281
ARG A 521
PHE A 522
 None
 1.27A 3n5tA-4cu8A:
undetectable
3n5tB-4cu8A:
undetectable		 3n5tA-4cu8A:
19.48
3n5tB-4cu8A:
19.48
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		4 SER A  75
ARG A  50
PHE A  80
GLU A  78
 None
 1.41A 3n5tA-4eeiA:
undetectable
3n5tB-4eeiA:
undetectable		 3n5tA-4eeiA:
20.50
3n5tB-4eeiA:
20.50
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 SER A 390
VAL A 392
ARG A 278
GLU A 393
 None
 1.28A 3n5tA-4gs1A:
undetectable
3n5tB-4gs1A:
undetectable		 3n5tA-4gs1A:
20.76
3n5tB-4gs1A:
20.76
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 SER A 390
VAL A 392
ARG A 278
PHE A 384
 None
None
None
HEM  A 501 (-4.0A)
 0.89A 3n5tA-4gs1A:
undetectable
3n5tB-4gs1A:
undetectable		 3n5tA-4gs1A:
20.76
3n5tB-4gs1A:
20.76
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.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 4 SER A 116
TRP A 125
PHE A  91
GLU A 126
 None
 1.30A 3n5tA-4gymA:
undetectable
3n5tB-4gymA:
undetectable		 3n5tA-4gymA:
17.16
3n5tB-4gymA:
17.16
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.
4hsq PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		PF16569
(GramPos_pilinBB) 		4 SER A 431
VAL A 442
ARG A 288
GLU A 441
 None
 1.35A 3n5tA-4hsqA:
undetectable
3n5tB-4hsqA:
undetectable		 3n5tA-4hsqA:
19.91
3n5tB-4hsqA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hss PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 4 SER A 431
VAL A 442
ARG A 288
GLU A 441
 None
 1.45A 3n5tA-4hssA:
undetectable
3n5tB-4hssA:
undetectable		 3n5tA-4hssA:
22.11
3n5tB-4hssA:
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.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 SER A 386
VAL A  61
PHE A 397
GLU A 384
 None
 1.18A 3n5tA-4k7cA:
undetectable
3n5tB-4k7cA:
undetectable		 3n5tA-4k7cA:
20.94
3n5tB-4k7cA:
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		4 SER A  87
ARG A  74
PHE A  76
GLU A 143
 None
 1.37A 3n5tA-4kdzA:
undetectable
3n5tB-4kdzA:
undetectable		 3n5tA-4kdzA:
15.32
3n5tB-4kdzA:
15.32
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		4 SER A 478
VAL A 370
ARG A 115
PHE A 134
 None
HEM  A 601 (-4.4A)
HEM  A 601 ( 2.6A)
None
 1.23A 3n5tA-4kq8A:
undetectable
3n5tB-4kq8A:
undetectable		 3n5tA-4kq8A:
20.77
3n5tB-4kq8A:
20.77
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.37A 3n5tA-4mh1A:
undetectable
3n5tB-4mh1A:
undetectable		 3n5tA-4mh1A:
22.50
3n5tB-4mh1A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 SER A 185
VAL A 182
PHE A 191
GLU A 186
 None
 1.24A 3n5tA-4nk2A:
1.4
3n5tB-4nk2A:
1.7		 3n5tA-4nk2A:
19.40
3n5tB-4nk2A:
19.40
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.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 SER A 185
VAL A 182
TRP A 159
GLU A 186
 None
 1.28A 3n5tA-4nk2A:
1.4
3n5tB-4nk2A:
1.7		 3n5tA-4nk2A:
19.40
3n5tB-4nk2A:
19.40
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.
4nob POLYMERIC
IMMUNOGLOBULIN
RECEPTOR

(Mus musculus) 		PF07686
(V-set) 		4 SER A  29
VAL A 127
ARG A  57
GLU A 126
 None
None
EDO  A 204 (-4.0A)
MG  A 202 (-2.6A)
 1.38A 3n5tA-4nobA:
undetectable
3n5tB-4nobA:
undetectable		 3n5tA-4nobA:
15.72
3n5tB-4nobA:
15.72
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.12A 3n5tA-4o6xA:
undetectable
3n5tB-4o6xA:
undetectable		 3n5tA-4o6xA:
13.51
3n5tB-4o6xA:
13.51
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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		4 SER A 167
VAL A 164
PHE A  59
GLU A 168
 None
 1.41A 3n5tA-4p3hA:
undetectable
3n5tB-4p3hA:
undetectable		 3n5tA-4p3hA:
17.77
3n5tB-4p3hA:
17.77
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 ARG A 424
TRP A 613
PHE A  89
GLU A 406
 None
 1.41A 3n5tA-4rasA:
undetectable
3n5tB-4rasA:
undetectable		 3n5tA-4rasA:
20.63
3n5tB-4rasA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01040
(UbiA) 		4 SER A  64
TRP A  26
TRP A  60
PHE A  57
 None
 1.29A 3n5tA-4tq5A:
1.6
3n5tB-4tq5A:
1.4		 3n5tA-4tq5A:
20.47
3n5tB-4tq5A:
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.06A 3n5tA-4u3vA:
undetectable
3n5tB-4u3vA:
undetectable		 3n5tA-4u3vA:
19.43
3n5tB-4u3vA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 308
VAL A 465
TRP A 369
GLU A 306
 None
 1.16A 3n5tA-4udrA:
undetectable
3n5tB-4udrA:
undetectable		 3n5tA-4udrA:
24.04
3n5tB-4udrA:
24.04
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 SER A  86
VAL A 113
TRP A 193
PHE A 204
 None
 1.33A 3n5tA-4zhjA:
undetectable
3n5tB-4zhjA:
undetectable		 3n5tA-4zhjA:
14.90
3n5tB-4zhjA:
14.90
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.
4zlh LIPOPOLYSACCHARIDE
ASSEMBLY PROTEIN B

(Escherichia
coli) 		PF14559
(TPR_19) 		4 SER A 155
TRP A 157
PHE A 182
GLU A 156
 None
 1.42A 3n5tA-4zlhA:
undetectable
3n5tB-4zlhA:
undetectable		 3n5tA-4zlhA:
20.65
3n5tB-4zlhA:
20.65
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 SER A1423
VAL A1426
TRP A1425
PHE A1476
 None
 1.36A 3n5tA-5a31A:
undetectable
3n5tB-5a31A:
undetectable		 3n5tA-5a31A:
15.42
3n5tB-5a31A:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.36A 3n5tA-5cowA:
undetectable
3n5tB-5cowA:
undetectable		 3n5tA-5cowA:
20.85
3n5tB-5cowA:
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		4 SER A 324
VAL A 384
TRP A 382
TRP A 338
 None
None
None
HMC  A 606 ( 3.6A)
 1.27A 3n5tA-5csuA:
undetectable
3n5tB-5csuA:
undetectable		 3n5tA-5csuA:
21.80
3n5tB-5csuA:
21.80
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.
5dku PREX DNA POLYMERASE

(Plasmodium
falciparum) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 SER A 626
TRP A 624
PHE A 406
GLU A 396
 None
 1.36A 3n5tA-5dkuA:
undetectable
3n5tB-5dkuA:
undetectable		 3n5tA-5dkuA:
19.52
3n5tB-5dkuA:
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.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		4 SER A  70
VAL A  51
PHE A 161
GLU A  55
 None
 1.45A 3n5tA-5gplA:
undetectable
3n5tB-5gplA:
undetectable		 3n5tA-5gplA:
19.03
3n5tB-5gplA:
19.03
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		4 SER A 149
VAL A 151
ARG A 106
GLU A 148
 None
 1.43A 3n5tA-5i6sA:
undetectable
3n5tB-5i6sA:
undetectable		 3n5tA-5i6sA:
19.60
3n5tB-5i6sA:
19.60
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 SER A 201
TRP A 239
PHE A 249
GLU A 205
 None
 1.24A 3n5tA-5iwzA:
undetectable
3n5tB-5iwzA:
undetectable		 3n5tA-5iwzA:
20.87
3n5tB-5iwzA:
20.87
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.09A 3n5tA-5jseA:
undetectable
3n5tB-5jseA:
undetectable		 3n5tA-5jseA:
19.58
3n5tB-5jseA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.21A 3n5tA-5lp8B:
0.0
3n5tB-5lp8B:
undetectable		 3n5tA-5lp8B:
21.27
3n5tB-5lp8B:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 VAL N 120
ARG P  16
PHE N 115
GLU N 117
 None
 1.10A 3n5tA-5lskN:
undetectable
3n5tB-5lskN:
undetectable		 3n5tA-5lskN:
19.05
3n5tB-5lskN:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.11A 3n5tA-5m8tA:
undetectable
3n5tB-5m8tA:
undetectable		 3n5tA-5m8tA:
21.55
3n5tB-5m8tA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 SER A 278
ARG A  44
PHE A  43
GLU A 282
 None
 1.46A 3n5tA-5mqzA:
undetectable
3n5tB-5mqzA:
undetectable		 3n5tA-5mqzA:
12.81
3n5tB-5mqzA:
12.81
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		4 SER A 519
VAL A 477
PHE A 508
GLU A 478
 None
 1.37A 3n5tA-5n29A:
undetectable
3n5tB-5n29A:
undetectable		 3n5tA-5n29A:
21.40
3n5tB-5n29A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.44A 3n5tA-5no8A:
undetectable
3n5tB-5no8A:
undetectable		 3n5tA-5no8A:
21.65
3n5tB-5no8A:
21.65
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 SER W 523
ARG W 537
PHE W 558
GLU W 527
 None
 1.38A 3n5tA-5o9gW:
undetectable
3n5tB-5o9gW:
undetectable		 3n5tA-5o9gW:
14.72
3n5tB-5o9gW:
14.72
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 SER A 350
TRP A 346
PHE A 343
GLU A 349
 None
 1.20A 3n5tA-5tulA:
undetectable
3n5tB-5tulA:
undetectable		 3n5tA-5tulA:
22.88
3n5tB-5tulA:
22.88
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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 168
ARG A 156
PHE A 152
GLU A 165
 None
 1.34A 3n5tA-5uv2A:
undetectable
3n5tB-5uv2A:
undetectable		 3n5tA-5uv2A:
22.36
3n5tB-5uv2A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.07A 3n5tA-5vyoA:
undetectable
3n5tB-5vyoA:
undetectable		 3n5tA-5vyoA:
10.31
3n5tB-5vyoA:
10.31
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.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 SER A 224
ARG A  24
TRP A 219
GLU A 222
 None
 1.13A 3n5tA-5wlyA:
undetectable
3n5tB-5wlyA:
undetectable		 3n5tA-5wlyA:
10.73
3n5tB-5wlyA:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wrr PSEUDOKINASE FAM20A

(Homo sapiens) 		PF06702
(Fam20C) 		4 SER A 195
VAL A 295
ARG A 284
PHE A 228
 None
 1.46A 3n5tA-5wrrA:
undetectable
3n5tB-5wrrA:
undetectable		 3n5tA-5wrrA:
21.83
3n5tB-5wrrA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 1.02A 3n5tA-5xyic:
undetectable
3n5tB-5xyic:
undetectable		 3n5tA-5xyic:
12.80
3n5tB-5xyic:
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.
5yx2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 4 SER B 299
VAL B 297
TRP B 324
PHE B 284
 None
 1.33A 3n5tA-5yx2B:
undetectable
3n5tB-5yx2B:
undetectable		 3n5tA-5yx2B:
16.06
3n5tB-5yx2B:
16.06
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.
6c6y JC57-14 LIGHT CHAIN

(Macaca mulatta) 		no annotation 4 SER B 121
VAL B 125
PHE B 209
GLU B 122
 None
 1.46A 3n5tA-6c6yB:
undetectable
3n5tB-6c6yB:
undetectable		 3n5tA-6c6yB:
15.11
3n5tB-6c6yB:
15.11
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.
6gsa -

(-) 		no annotation 4 SER E 232
ARG E 355
PHE E 359
GLU E 229
 None
 1.42A 3n5tA-6gsaE:
undetectable
3n5tB-6gsaE:
undetectable		 3n5tA-6gsaE:
undetectable
3n5tB-6gsaE:
undetectable