SIMILAR PATTERNS OF AMINO ACIDS FOR 3DQT_B_H4BB760_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 PHE A 207
GLU A 204
SER A 203
ARG A 104
 None
 1.39A 3dqtA-1a88A:
0.0
3dqtB-1a88A:
0.0		 3dqtA-1a88A:
21.45
3dqtB-1a88A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 PHE A 205
GLU A 202
SER A 201
ARG A 102
 None
 1.45A 3dqtA-1a8sA:
undetectable
3dqtB-1a8sA:
0.0		 3dqtA-1a8sA:
22.54
3dqtB-1a8sA:
22.54
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TRP A 397
PHE A 400
GLU A 396
SER A  21
 ACT  A 518 ( 4.2A)
None
None
None
 1.43A 3dqtA-1b2hA:
0.0
3dqtB-1b2hA:
undetectable		 3dqtA-1b2hA:
21.97
3dqtB-1b2hA:
21.97
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 PHE A 248
GLU A 359
SER A 356
VAL A 358
 None
 1.37A 3dqtA-1bg6A:
0.0
3dqtB-1bg6A:
0.0		 3dqtA-1bg6A:
23.79
3dqtB-1bg6A:
23.79
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 GLU A 213
SER A 210
VAL A 212
ARG A 241
 None
 1.45A 3dqtA-1hkhA:
0.0
3dqtB-1hkhA:
0.0		 3dqtA-1hkhA:
20.29
3dqtB-1hkhA:
20.29
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 GLU A 143
SER A 142
VAL A 140
TRP A 141
 None
 1.35A 3dqtA-1hv5A:
0.3
3dqtB-1hv5A:
0.5		 3dqtA-1hv5A:
18.84
3dqtB-1hv5A:
18.84
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 GLU A 314
SER A 313
VAL A 284
ARG A  20
 None
 1.35A 3dqtA-1juhA:
undetectable
3dqtB-1juhA:
undetectable		 3dqtA-1juhA:
21.60
3dqtB-1juhA:
21.60
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		4 TRP A 214
GLU A 209
SER A  64
ARG A  58
 None
 1.23A 3dqtA-1k38A:
0.5
3dqtB-1k38A:
0.0		 3dqtA-1k38A:
20.95
3dqtB-1k38A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 PHE L 502
GLU L 339
SER L 236
ARG L 500
 None
 0.95A 3dqtA-1kfuL:
undetectable
3dqtB-1kfuL:
0.1		 3dqtA-1kfuL:
18.87
3dqtB-1kfuL:
18.87
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.34A 3dqtA-1l5jA:
undetectable
3dqtB-1l5jA:
4.1		 3dqtA-1l5jA:
19.77
3dqtB-1l5jA:
19.77
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)
 0.32A 3dqtA-1m9qA:
15.6
3dqtB-1m9qA:
62.1		 3dqtA-1m9qA:
95.17
3dqtB-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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 PHE A 154
VAL A 200
ARG A 160
TRP A  27
 SO4  A 400 (-4.6A)
None
None
SO4  A 400 (-3.4A)
 1.35A 3dqtA-1nrkA:
undetectable
3dqtB-1nrkA:
undetectable		 3dqtA-1nrkA:
22.30
3dqtB-1nrkA:
22.30
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 TRP B 482
PHE B 479
SER B 485
VAL B 487
 None
K  B 703 ( 4.8A)
None
None
 1.28A 3dqtA-1ovlB:
undetectable
3dqtB-1ovlB:
undetectable		 3dqtA-1ovlB:
20.76
3dqtB-1ovlB:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 PHE A 503
GLU A 339
SER A 236
ARG A 501
 None
 1.36A 3dqtA-1qxpA:
undetectable
3dqtB-1qxpA:
undetectable		 3dqtA-1qxpA:
19.53
3dqtB-1qxpA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 GLU A 113
SER A 116
VAL A 114
TRP A 120
 None
 1.28A 3dqtA-1ua7A:
undetectable
3dqtB-1ua7A:
undetectable		 3dqtA-1ua7A:
20.35
3dqtB-1ua7A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 PHE A 515
GLU A 459
SER A 428
VAL A 431
 None
 1.22A 3dqtA-1w27A:
0.3
3dqtB-1w27A:
undetectable		 3dqtA-1w27A:
20.84
3dqtB-1w27A:
20.84
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		4 TRP A 286
SER A 272
VAL A 332
TRP A 330
 GOL  A1002 (-3.4A)
None
None
None
 1.38A 3dqtA-1x1nA:
undetectable
3dqtB-1x1nA:
undetectable		 3dqtA-1x1nA:
22.10
3dqtB-1x1nA:
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.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00342
(PGI) 		4 PHE A 188
GLU A 183
SER A  39
ARG A 187
 None
 1.45A 3dqtA-1zzgA:
undetectable
3dqtB-1zzgA:
undetectable		 3dqtA-1zzgA:
21.21
3dqtB-1zzgA:
21.21
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.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		4 PHE A 412
GLU A 177
SER A 176
VAL A 367
 None
 1.32A 3dqtA-2c6sA:
undetectable
3dqtB-2c6sA:
undetectable		 3dqtA-2c6sA:
20.97
3dqtB-2c6sA:
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 3dqtA-2d52A:
0.6
3dqtB-2d52A:
undetectable		 3dqtA-2d52A:
21.81
3dqtB-2d52A:
21.81
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 PHE A 123
GLU A  30
VAL A  27
TRP A  15
 None
 1.41A 3dqtA-2d9jA:
undetectable
3dqtB-2d9jA:
undetectable		 3dqtA-2d9jA:
17.10
3dqtB-2d9jA:
17.10
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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 TRP A 113
GLU A 116
SER A 117
VAL A 115
 None
 1.23A 3dqtA-2ebwA:
undetectable
3dqtB-2ebwA:
undetectable		 3dqtA-2ebwA:
13.22
3dqtB-2ebwA:
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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		4 PHE A 397
GLU A 404
SER A 401
VAL A  31
 None
 1.46A 3dqtA-2epjA:
undetectable
3dqtB-2epjA:
undetectable		 3dqtA-2epjA:
22.55
3dqtB-2epjA:
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 PHE A  89
SER A  59
VAL A  57
TRP A  60
 None
None
None
1PE  A1021 (-4.1A)
 1.36A 3dqtA-2g8yA:
undetectable
3dqtB-2g8yA:
1.2		 3dqtA-2g8yA:
23.36
3dqtB-2g8yA:
23.36
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 PHE A 233
GLU A 431
SER A 428
TRP A 129
 None
 1.22A 3dqtA-2glfA:
undetectable
3dqtB-2glfA:
undetectable		 3dqtA-2glfA:
21.41
3dqtB-2glfA:
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.20A 3dqtA-2incA:
0.1
3dqtB-2incA:
undetectable		 3dqtA-2incA:
20.57
3dqtB-2incA:
20.57
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.
2ixn SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 2

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		4 TRP A  16
PHE A 291
SER A 283
VAL A 281
 None
 1.47A 3dqtA-2ixnA:
undetectable
3dqtB-2ixnA:
undetectable		 3dqtA-2ixnA:
20.27
3dqtB-2ixnA:
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.
2jnz PHL P 3 ALLERGEN

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		4 PHE A  76
GLU A  55
SER A  68
VAL A  66
 None
 1.40A 3dqtA-2jnzA:
undetectable
3dqtB-2jnzA:
undetectable		 3dqtA-2jnzA:
12.53
3dqtB-2jnzA:
12.53
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.
2m0m MINOR AMPULLATE
FIBROIN 1

(Nephila
antipodiana) 		PF11260
(Spidroin_MaSp) 		4 PHE A  63
GLU A  77
SER A  76
VAL A  73
 None
 1.41A 3dqtA-2m0mA:
undetectable
3dqtB-2m0mA:
undetectable		 3dqtA-2m0mA:
16.49
3dqtB-2m0mA:
16.49
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.
2pbk KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		4 PHE A  59
GLU A 168
SER A 167
VAL A 164
 None
 1.47A 3dqtA-2pbkA:
undetectable
3dqtB-2pbkA:
undetectable		 3dqtA-2pbkA:
20.91
3dqtB-2pbkA:
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 PHE A 276
GLU A 115
SER A 150
VAL A 207
 None
 1.39A 3dqtA-2qw8A:
undetectable
3dqtB-2qw8A:
undetectable		 3dqtA-2qw8A:
22.38
3dqtB-2qw8A:
22.38
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.46A 3dqtA-2rttA:
undetectable
3dqtB-2rttA:
undetectable		 3dqtA-2rttA:
15.71
3dqtB-2rttA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vut NITROGEN METABOLITE
REPRESSION REGULATOR
NMRA

(Aspergillus
nidulans) 		PF05368
(NmrA) 		4 PHE A 181
SER A 224
VAL A 228
TRP A 189
 None
 1.26A 3dqtA-2vutA:
undetectable
3dqtB-2vutA:
undetectable		 3dqtA-2vutA:
22.59
3dqtB-2vutA:
22.59
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 TRP A 241
PHE A 196
SER A 240
VAL A 243
 None
 1.37A 3dqtA-2wjvA:
undetectable
3dqtB-2wjvA:
4.0		 3dqtA-2wjvA:
20.08
3dqtB-2wjvA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.14A 3dqtA-2xblA:
undetectable
3dqtB-2xblA:
undetectable		 3dqtA-2xblA:
20.00
3dqtB-2xblA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 TRP A 397
PHE A 400
GLU A 396
SER A  21
 None
 1.39A 3dqtA-2z23A:
undetectable
3dqtB-2z23A:
undetectable		 3dqtA-2z23A:
19.61
3dqtB-2z23A:
19.61
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.06A 3dqtA-3ckbA:
undetectable
3dqtB-3ckbA:
2.9		 3dqtA-3ckbA:
21.34
3dqtB-3ckbA:
21.34
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.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A  59
GLU A  57
SER A  54
VAL A  52
 None
 1.07A 3dqtA-3euwA:
undetectable
3dqtB-3euwA:
undetectable		 3dqtA-3euwA:
19.40
3dqtB-3euwA:
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.34A 3dqtA-3g1nA:
undetectable
3dqtB-3g1nA:
undetectable		 3dqtA-3g1nA:
21.29
3dqtB-3g1nA:
21.29
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.
3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Bordetella
bronchiseptica) 		PF03992
(ABM) 		4 PHE A  83
SER A   7
VAL A  89
ARG A  76
 CIT  A  97 (-4.7A)
None
None
CIT  A  97 (-3.8A)
 1.29A 3dqtA-3gz7A:
undetectable
3dqtB-3gz7A:
undetectable		 3dqtA-3gz7A:
13.69
3dqtB-3gz7A:
13.69
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		4 PHE A  74
GLU A  80
SER A  81
VAL A  83
 None
 1.09A 3dqtA-3hcyA:
undetectable
3dqtB-3hcyA:
undetectable		 3dqtA-3hcyA:
18.07
3dqtB-3hcyA:
18.07
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.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		4 TRP C 219
GLU C 214
SER C  69
ARG C  63
 None
 1.14A 3dqtA-3if6C:
undetectable
3dqtB-3if6C:
undetectable		 3dqtA-3if6C:
21.43
3dqtB-3if6C:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 PHE A  19
GLU A 461
SER A 468
ARG A 478
 None
 1.45A 3dqtA-3kveA:
undetectable
3dqtB-3kveA:
undetectable		 3dqtA-3kveA:
18.85
3dqtB-3kveA:
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.34A 3dqtA-3lccA:
1.4
3dqtB-3lccA:
undetectable		 3dqtA-3lccA:
17.86
3dqtB-3lccA:
17.86
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.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		4 PHE A 120
GLU A 124
SER A 141
TRP A 142
 None
 1.27A 3dqtA-3mg9A:
undetectable
3dqtB-3mg9A:
undetectable		 3dqtA-3mg9A:
20.82
3dqtB-3mg9A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgb TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		4 PHE A 120
GLU A 124
SER A 141
TRP A 142
 None
 1.21A 3dqtA-3mgbA:
undetectable
3dqtB-3mgbA:
undetectable		 3dqtA-3mgbA:
20.00
3dqtB-3mgbA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PHE A 155
GLU A 168
SER A 171
ARG A 159
 None
 1.24A 3dqtA-3n0gA:
undetectable
3dqtB-3n0gA:
undetectable		 3dqtA-3n0gA:
22.14
3dqtB-3n0gA:
22.14
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TRP A 391
PHE A 388
GLU A 390
SER A 394
 None
None
GOL  A 507 (-2.5A)
None
 1.06A 3dqtA-3n0qA:
undetectable
3dqtB-3n0qA:
undetectable		 3dqtA-3n0qA:
22.24
3dqtB-3n0qA:
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 PHE A 276
GLU A 271
SER A 270
VAL A 267
 None
 1.19A 3dqtA-3up4A:
undetectable
3dqtB-3up4A:
undetectable		 3dqtA-3up4A:
21.53
3dqtB-3up4A:
21.53
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.
3vh1 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF16420
(ATG7_N) 		4 PHE A 172
SER A 177
VAL A  78
TRP A 179
 None
 1.23A 3dqtA-3vh1A:
undetectable
3dqtB-3vh1A:
undetectable		 3dqtA-3vh1A:
22.72
3dqtB-3vh1A:
22.72
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.09A 3dqtA-3vv4A:
undetectable
3dqtB-3vv4A:
undetectable		 3dqtA-3vv4A:
20.05
3dqtB-3vv4A:
20.05
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 PHE A 136
GLU A 219
SER A 218
TRP A 217
 None
HY0  A 401 (-4.0A)
HY0  A 401 (-3.5A)
None
 1.20A 3dqtA-3w0sA:
undetectable
3dqtB-3w0sA:
undetectable		 3dqtA-3w0sA:
20.37
3dqtB-3w0sA:
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 PHE A 278
GLU A 267
SER A 275
VAL A 297
 None
 1.30A 3dqtA-3wsyA:
undetectable
3dqtB-3wsyA:
undetectable		 3dqtA-3wsyA:
20.44
3dqtB-3wsyA:
20.44
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 PHE A 158
SER A 164
VAL A 166
TRP A 165
 None
 0.93A 3dqtA-3zq6A:
0.8
3dqtB-3zq6A:
3.3		 3dqtA-3zq6A:
20.71
3dqtB-3zq6A:
20.71
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		4 PHE A 359
GLU A 229
SER A 232
ARG A 355
 None
 1.37A 3dqtA-4acoA:
undetectable
3dqtB-4acoA:
undetectable		 3dqtA-4acoA:
16.51
3dqtB-4acoA:
16.51
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 PHE A 522
SER A 240
VAL A 281
ARG A 521
 None
 1.17A 3dqtA-4cu8A:
undetectable
3dqtB-4cu8A:
undetectable		 3dqtA-4cu8A:
19.13
3dqtB-4cu8A:
19.13
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		4 PHE A  80
GLU A  78
SER A  75
ARG A  50
 None
 1.42A 3dqtA-4eeiA:
undetectable
3dqtB-4eeiA:
1.7		 3dqtA-4eeiA:
21.05
3dqtB-4eeiA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		4 TRP A  54
PHE A 301
SER A  53
VAL A 290
 None
None
ACY  A 702 ( 4.9A)
None
 1.38A 3dqtA-4f9dA:
undetectable
3dqtB-4f9dA:
undetectable		 3dqtA-4f9dA:
21.04
3dqtB-4f9dA:
21.04
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 TRP A 148
GLU A 175
SER A 174
ARG A 331
 NAD  A 601 (-4.0A)
NAD  A 601 (-3.7A)
NAD  A 601 (-3.8A)
None
 1.47A 3dqtA-4go4A:
undetectable
3dqtB-4go4A:
undetectable		 3dqtA-4go4A:
20.58
3dqtB-4go4A:
20.58
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 GLU A 393
SER A 390
VAL A 392
ARG A 278
 None
 1.36A 3dqtA-4gs1A:
undetectable
3dqtB-4gs1A:
undetectable		 3dqtA-4gs1A:
21.81
3dqtB-4gs1A:
21.81
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 PHE A 384
SER A 390
VAL A 392
ARG A 278
 HEM  A 501 (-4.0A)
None
None
None
 0.95A 3dqtA-4gs1A:
undetectable
3dqtB-4gs1A:
undetectable		 3dqtA-4gs1A:
21.81
3dqtB-4gs1A:
21.81
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.
4hsq PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		PF16569
(GramPos_pilinBB) 		4 GLU A 441
SER A 431
VAL A 442
ARG A 288
 None
 1.32A 3dqtA-4hsqA:
undetectable
3dqtB-4hsqA:
undetectable		 3dqtA-4hsqA:
18.58
3dqtB-4hsqA:
18.58
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.
4hss PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 4 GLU A 441
SER A 431
VAL A 442
ARG A 288
 None
 1.43A 3dqtA-4hssA:
undetectable
3dqtB-4hssA:
undetectable		 3dqtA-4hssA:
23.90
3dqtB-4hssA:
23.90
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.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 PHE A 397
GLU A 384
SER A 386
VAL A  61
 None
 1.19A 3dqtA-4k7cA:
undetectable
3dqtB-4k7cA:
undetectable		 3dqtA-4k7cA:
20.85
3dqtB-4k7cA:
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		4 PHE A  76
GLU A 143
SER A  87
ARG A  74
 None
 1.25A 3dqtA-4kdzA:
undetectable
3dqtB-4kdzA:
undetectable		 3dqtA-4kdzA:
16.35
3dqtB-4kdzA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 GLU A 186
SER A 185
VAL A 182
TRP A 159
 None
 1.30A 3dqtA-4nk2A:
undetectable
3dqtB-4nk2A:
2.1		 3dqtA-4nk2A:
20.44
3dqtB-4nk2A:
20.44
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.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 PHE A 191
GLU A 186
SER A 185
VAL A 182
 None
 1.21A 3dqtA-4nk2A:
undetectable
3dqtB-4nk2A:
2.1		 3dqtA-4nk2A:
20.44
3dqtB-4nk2A:
20.44
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.21A 3dqtA-4o6xA:
undetectable
3dqtB-4o6xA:
undetectable		 3dqtA-4o6xA:
13.19
3dqtB-4o6xA:
13.19
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.
4oxc E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		4 PHE A  33
SER A  40
VAL A  42
TRP A  73
 None
 1.24A 3dqtA-4oxcA:
undetectable
3dqtB-4oxcA:
undetectable		 3dqtA-4oxcA:
12.74
3dqtB-4oxcA:
12.74
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		4 GLU A1426
SER A1427
VAL A1425
TRP A1424
 None
 1.47A 3dqtA-4pivA:
undetectable
3dqtB-4pivA:
undetectable		 3dqtA-4pivA:
22.06
3dqtB-4pivA:
22.06
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.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01040
(UbiA) 		4 TRP A  60
PHE A  57
SER A  64
TRP A  26
 None
 1.39A 3dqtA-4tq5A:
2.9
3dqtB-4tq5A:
1.4		 3dqtA-4tq5A:
21.09
3dqtB-4tq5A:
21.09
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.08A 3dqtA-4u3vA:
undetectable
3dqtB-4u3vA:
undetectable		 3dqtA-4u3vA:
20.24
3dqtB-4u3vA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLU A 306
SER A 308
VAL A 465
TRP A 369
 None
 1.22A 3dqtA-4udrA:
undetectable
3dqtB-4udrA:
undetectable		 3dqtA-4udrA:
23.67
3dqtB-4udrA:
23.67
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 PHE A 997
GLU A 803
SER A 804
VAL A 806
 None
 1.48A 3dqtA-4xqkA:
2.2
3dqtB-4xqkA:
undetectable		 3dqtA-4xqkA:
13.35
3dqtB-4xqkA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 TRP A 193
PHE A 204
SER A  86
VAL A 113
 None
 1.37A 3dqtA-4zhjA:
undetectable
3dqtB-4zhjA:
undetectable		 3dqtA-4zhjA:
14.52
3dqtB-4zhjA:
14.52
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 TRP A 185
PHE A 640
GLU A 186
ARG A 644
 None
None
CA  A 801 (-2.3A)
None
 1.26A 3dqtA-5bv9A:
undetectable
3dqtB-5bv9A:
undetectable		 3dqtA-5bv9A:
21.37
3dqtB-5bv9A:
21.37
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.
5cag UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF17145
(DUF5119) 		4 PHE A 220
GLU A 156
SER A 157
VAL A 134
 None
 1.32A 3dqtA-5cagA:
undetectable
3dqtB-5cagA:
undetectable		 3dqtA-5cagA:
21.51
3dqtB-5cagA:
21.51
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.37A 3dqtA-5cowA:
undetectable
3dqtB-5cowA:
1.6		 3dqtA-5cowA:
21.53
3dqtB-5cowA:
21.53
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		4 TRP A 338
SER A 324
VAL A 384
TRP A 382
 HMC  A 606 ( 3.6A)
None
None
None
 1.38A 3dqtA-5csuA:
undetectable
3dqtB-5csuA:
undetectable		 3dqtA-5csuA:
22.11
3dqtB-5csuA:
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TRP A 326
PHE A 359
GLU A 325
VAL A 324
 None
 1.45A 3dqtA-5gn5A:
undetectable
3dqtB-5gn5A:
undetectable		 3dqtA-5gn5A:
22.63
3dqtB-5gn5A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		4 PHE A 161
GLU A  55
SER A  70
VAL A  51
 None
 1.39A 3dqtA-5gplA:
undetectable
3dqtB-5gplA:
undetectable		 3dqtA-5gplA:
19.11
3dqtB-5gplA:
19.11
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 TRP A 239
PHE A 249
GLU A 205
SER A 201
 None
 1.18A 3dqtA-5iwzA:
undetectable
3dqtB-5iwzA:
2.2		 3dqtA-5iwzA:
21.22
3dqtB-5iwzA:
21.22
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.10A 3dqtA-5jseA:
undetectable
3dqtB-5jseA:
undetectable		 3dqtA-5jseA:
18.65
3dqtB-5jseA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		4 PHE A  79
GLU A  71
SER A  74
TRP A  73
 HEC  A 201 (-4.4A)
None
None
None
 1.19A 3dqtA-5jt4A:
undetectable
3dqtB-5jt4A:
2.2		 3dqtA-5jt4A:
15.09
3dqtB-5jt4A:
15.09
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.
5l33 DENOVO NTF2

(synthetic
construct) 		PF12680
(SnoaL_2) 		4 PHE A  72
GLU A  66
SER A  69
TRP A  70
 None
 1.20A 3dqtA-5l33A:
undetectable
3dqtB-5l33A:
undetectable		 3dqtA-5l33A:
13.67
3dqtB-5l33A:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.27A 3dqtA-5lp8B:
undetectable
3dqtB-5lp8B:
undetectable		 3dqtA-5lp8B:
20.38
3dqtB-5lp8B:
20.38
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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 PHE N 115
GLU N 117
VAL N 120
ARG P  16
 None
 1.13A 3dqtA-5lskN:
undetectable
3dqtB-5lskN:
3.0		 3dqtA-5lskN:
19.85
3dqtB-5lskN:
19.85
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.47A 3dqtA-5m7rA:
0.9
3dqtB-5m7rA:
undetectable		 3dqtA-5m7rA:
17.16
3dqtB-5m7rA:
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.03A 3dqtA-5m8tA:
undetectable
3dqtB-5m8tA:
undetectable		 3dqtA-5m8tA:
21.25
3dqtB-5m8tA:
21.25
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 PHE A  43
GLU A 282
SER A 278
ARG A  44
 None
 1.33A 3dqtA-5mqzA:
undetectable
3dqtB-5mqzA:
undetectable		 3dqtA-5mqzA:
13.60
3dqtB-5mqzA:
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 TRP A 346
PHE A 343
GLU A 349
SER A 350
 None
 1.26A 3dqtA-5tulA:
undetectable
3dqtB-5tulA:
1.6		 3dqtA-5tulA:
23.08
3dqtB-5tulA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 152
GLU A 165
SER A 168
ARG A 156
 None
 1.31A 3dqtA-5uv2A:
undetectable
3dqtB-5uv2A:
2.5		 3dqtA-5uv2A:
22.75
3dqtB-5uv2A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 1.00A 3dqtA-5vyoA:
undetectable
3dqtB-5vyoA:
undetectable		 3dqtA-5vyoA:
12.72
3dqtB-5vyoA:
12.72
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.
5wb5 PUTATIVE EUKARYOTIC
TRANSLATION
INITIATION FACTOR
EIF-4E

(Leishmania
major) 		no annotation 4 PHE A  54
GLU A  52
SER A  49
VAL A  47
 None
 1.01A 3dqtA-5wb5A:
undetectable
3dqtB-5wb5A:
undetectable		 3dqtA-5wb5A:
12.14
3dqtB-5wb5A:
12.14
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.
5wly UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Escherichia
coli) 		no annotation 4 TRP A 219
GLU A 222
SER A 224
ARG A  24
 None
 1.06A 3dqtA-5wlyA:
undetectable
3dqtB-5wlyA:
undetectable		 3dqtA-5wlyA:
11.71
3dqtB-5wlyA:
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 TRP B 302
PHE B 284
SER B 299
VAL B 272
 None
 1.44A 3dqtA-5x2oB:
undetectable
3dqtB-5x2oB:
undetectable		 3dqtA-5x2oB:
20.84
3dqtB-5x2oB:
20.84
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  50
GLU c  51
VAL c  16
ARG F  49
 None
None
None
C  21421 ( 4.4A)
 0.99A 3dqtA-5xyiF:
undetectable
3dqtB-5xyiF:
undetectable		 3dqtA-5xyiF:
18.78
3dqtB-5xyiF:
18.78
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.
5yx2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 4 TRP B 324
PHE B 284
SER B 299
VAL B 297
 None
 1.35A 3dqtA-5yx2B:
1.7
3dqtB-5yx2B:
undetectable		 3dqtA-5yx2B:
16.06
3dqtB-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 PHE B 209
GLU B 122
SER B 121
VAL B 125
 None
 1.42A 3dqtA-6c6yB:
undetectable
3dqtB-6c6yB:
undetectable		 3dqtA-6c6yB:
15.11
3dqtB-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 PHE E 359
GLU E 229
SER E 232
ARG E 355
 None
 1.37A 3dqtA-6gsaE:
undetectable
3dqtB-6gsaE:
undetectable		 3dqtA-6gsaE:
undetectable
3dqtB-6gsaE:
undetectable