SIMILAR PATTERNS OF AMINO ACIDS FOR 6AV6_D_H4BD502_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
 1.25A 6av6C-1a88A:
0.0
6av6D-1a88A:
0.0		 6av6C-1a88A:
15.25
6av6D-1a88A:
15.25
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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 PHE A 205
GLU A 202
SER A 201
ARG A 102
 None
 1.31A 6av6C-1a8sA:
0.0
6av6D-1a8sA:
0.0		 6av6C-1a8sA:
12.41
6av6D-1a8sA:
12.41
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.
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
 1.41A 6av6C-1b2hA:
0.0
6av6D-1b2hA:
0.0		 6av6C-1b2hA:
10.55
6av6D-1b2hA:
10.55
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 TRP A 242
PHE A 239
GLU A 241
ARG A 123
 None
 1.43A 6av6C-1dvkA:
0.0
6av6D-1dvkA:
0.0		 6av6C-1dvkA:
21.60
6av6D-1dvkA:
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 GLU A 143
SER A 142
VAL A 140
TRP A 141
 None
 1.27A 6av6C-1hv5A:
0.0
6av6D-1hv5A:
0.1		 6av6C-1hv5A:
17.58
6av6D-1hv5A:
17.58
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.
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
 1.01A 6av6C-1kfuL:
0.0
6av6D-1kfuL:
0.0		 6av6C-1kfuL:
7.16
6av6D-1kfuL:
7.16
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.
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
 1.35A 6av6C-1l5jA:
0.0
6av6D-1l5jA:
0.0		 6av6C-1l5jA:
7.08
6av6D-1l5jA:
7.08
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)
 0.35A 6av6C-1m9qA:
62.0
6av6D-1m9qA:
62.9		 6av6C-1m9qA:
100.00
6av6D-1m9qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE N 352
GLU N 229
SER N 228
VAL N 122
 None
 1.40A 6av6C-1nmbN:
0.0
6av6D-1nmbN:
0.0		 6av6C-1nmbN:
10.32
6av6D-1nmbN:
10.32
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.
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
 1.25A 6av6C-1ovlB:
undetectable
6av6D-1ovlB:
undetectable		 6av6C-1ovlB:
13.70
6av6D-1ovlB:
13.70
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 TRP A 506
SER A 512
VAL A 502
ARG A 560
 None
 1.37A 6av6C-1s4fA:
undetectable
6av6D-1s4fA:
undetectable		 6av6C-1s4fA:
6.49
6av6D-1s4fA:
6.49
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		4 GLU A 212
SER A 214
VAL A 221
ARG A 183
 None
 1.32A 6av6C-1s8eA:
undetectable
6av6D-1s8eA:
undetectable		 6av6C-1s8eA:
14.47
6av6D-1s8eA:
14.47
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 GLU A 113
SER A 116
VAL A 114
TRP A 120
 None
 1.28A 6av6C-1ua7A:
0.0
6av6D-1ua7A:
undetectable		 6av6C-1ua7A:
11.16
6av6D-1ua7A:
11.16
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 PHE A 515
GLU A 459
SER A 428
VAL A 431
 None
 1.26A 6av6C-1w27A:
undetectable
6av6D-1w27A:
0.0		 6av6C-1w27A:
8.10
6av6D-1w27A:
8.10
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.
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
 1.35A 6av6C-1x1nA:
undetectable
6av6D-1x1nA:
undetectable		 6av6C-1x1nA:
11.42
6av6D-1x1nA:
11.42
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.
1xc5 NUCLEAR RECEPTOR
COREPRESSOR 2

(Homo sapiens) 		PF00249
(Myb_DNA-binding) 		4 GLU A 436
SER A 433
VAL A 428
TRP A 432
 None
 1.20A 6av6C-1xc5A:
undetectable
6av6D-1xc5A:
undetectable		 6av6C-1xc5A:
17.65
6av6D-1xc5A:
17.65
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.
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
 1.33A 6av6C-2c6sA:
undetectable
6av6D-2c6sA:
undetectable		 6av6C-2c6sA:
11.09
6av6D-2c6sA:
11.09
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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 TRP A 113
GLU A 116
SER A 117
VAL A 115
 None
 1.22A 6av6C-2ebwA:
undetectable
6av6D-2ebwA:
undetectable		 6av6C-2ebwA:
15.31
6av6D-2ebwA:
15.31
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.
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
 1.20A 6av6C-2glfA:
undetectable
6av6D-2glfA:
undetectable		 6av6C-2glfA:
13.17
6av6D-2glfA:
13.17
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.
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
 1.25A 6av6C-2incA:
undetectable
6av6D-2incA:
undetectable		 6av6C-2incA:
8.09
6av6D-2incA:
8.09
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 PHE A 362
GLU A 367
VAL A 337
ARG A 345
 None
 1.15A 6av6C-2ja2A:
undetectable
6av6D-2ja2A:
undetectable		 6av6C-2ja2A:
10.00
6av6D-2ja2A:
10.00
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.
2m0m MINOR AMPULLATE
FIBROIN 1

(Nephila
antipodiana) 		PF11260
(Spidroin_MaSp) 		4 PHE A  63
GLU A  77
SER A  76
VAL A  73
 None
 1.43A 6av6C-2m0mA:
undetectable
6av6D-2m0mA:
undetectable		 6av6C-2m0mA:
19.83
6av6D-2m0mA:
19.83
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.
2o1e YCDH

(Bacillus
subtilis) 		PF01297
(ZnuA) 		4 PHE A  29
SER A 132
VAL A 129
TRP A 130
 None
 1.32A 6av6C-2o1eA:
undetectable
6av6D-2o1eA:
1.1		 6av6C-2o1eA:
13.33
6av6D-2o1eA:
13.33
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 PHE A 276
GLU A 115
SER A 150
VAL A 207
 None
 1.37A 6av6C-2qw8A:
undetectable
6av6D-2qw8A:
undetectable		 6av6C-2qw8A:
11.90
6av6D-2qw8A:
11.90
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		4 GLU A 198
SER A 195
VAL A 193
ARG A 112
 None
 1.27A 6av6C-2rauA:
0.0
6av6D-2rauA:
undetectable		 6av6C-2rauA:
12.28
6av6D-2rauA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 GLU A 148
SER A 149
VAL A 147
ARG A 114
 None
 1.30A 6av6C-2rikA:
undetectable
6av6D-2rikA:
undetectable		 6av6C-2rikA:
12.01
6av6D-2rikA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.37A 6av6C-2rttA:
undetectable
6av6D-2rttA:
undetectable		 6av6C-2rttA:
22.61
6av6D-2rttA:
22.61
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.
2vut NITROGEN METABOLITE
REPRESSION REGULATOR
NMRA

(Aspergillus
nidulans) 		PF05368
(NmrA) 		4 PHE A 181
SER A 224
VAL A 228
TRP A 189
 None
 1.23A 6av6C-2vutA:
undetectable
6av6D-2vutA:
undetectable		 6av6C-2vutA:
13.86
6av6D-2vutA:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 6av6C-2wjvA:
undetectable
6av6D-2wjvA:
undetectable		 6av6C-2wjvA:
7.53
6av6D-2wjvA:
7.53
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		4 PHE A 135
GLU A 137
SER A 106
VAL A 109
 None
 1.18A 6av6C-2xblA:
undetectable
6av6D-2xblA:
undetectable		 6av6C-2xblA:
17.98
6av6D-2xblA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.40A 6av6C-2z23A:
undetectable
6av6D-2z23A:
undetectable		 6av6C-2z23A:
9.66
6av6D-2z23A:
9.66
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.
3b43 TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 GLU A 340
SER A 341
VAL A 339
ARG A 306
 None
 1.36A 6av6C-3b43A:
undetectable
6av6D-3b43A:
undetectable		 6av6C-3b43A:
11.89
6av6D-3b43A:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 6av6C-3euwA:
undetectable
6av6D-3euwA:
undetectable		 6av6C-3euwA:
14.44
6av6D-3euwA:
14.44
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.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA

(Aequorea
victoria;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 PHE A  78
SER A 115
VAL A 137
ARG A 254
 CRO  A 224 ( 4.5A)
None
None
CRO  A 224 ( 3.0A)
 1.38A 6av6C-3evrA:
undetectable
6av6D-3evrA:
undetectable		 6av6C-3evrA:
11.75
6av6D-3evrA:
11.75
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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.26A 6av6C-3f3zA:
undetectable
6av6D-3f3zA:
0.1		 6av6C-3f3zA:
19.67
6av6D-3f3zA:
19.67
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.28A 6av6C-3g1nA:
undetectable
6av6D-3g1nA:
undetectable		 6av6C-3g1nA:
10.57
6av6D-3g1nA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.11A 6av6C-3gz7A:
undetectable
6av6D-3gz7A:
undetectable		 6av6C-3gz7A:
21.30
6av6D-3gz7A:
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.
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
 1.10A 6av6C-3hcyA:
undetectable
6av6D-3hcyA:
undetectable		 6av6C-3hcyA:
21.19
6av6D-3hcyA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		4 TRP C 219
GLU C 214
SER C  69
ARG C  63
 None
 1.10A 6av6C-3if6C:
0.0
6av6D-3if6C:
undetectable		 6av6C-3if6C:
13.96
6av6D-3if6C:
13.96
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 PHE A  19
GLU A 461
SER A 468
ARG A 478
 None
 1.34A 6av6C-3kveA:
undetectable
6av6D-3kveA:
undetectable		 6av6C-3kveA:
10.27
6av6D-3kveA:
10.27
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.
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 6av6C-3lccA:
undetectable
6av6D-3lccA:
undetectable		 6av6C-3lccA:
17.06
6av6D-3lccA:
17.06
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.
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
 1.09A 6av6C-3n0qA:
undetectable
6av6D-3n0qA:
undetectable		 6av6C-3n0qA:
12.22
6av6D-3n0qA:
12.22
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.
3o2s RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
SSU72

(Homo sapiens) 		PF04722
(Ssu72) 		4 PHE B  98
GLU B  96
SER B  35
ARG B 126
 None
 1.27A 6av6C-3o2sB:
undetectable
6av6D-3o2sB:
undetectable		 6av6C-3o2sB:
13.55
6av6D-3o2sB:
13.55
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.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		4 GLU A  72
SER A  71
VAL A  69
ARG A  38
 None
 1.19A 6av6C-3oyzA:
undetectable
6av6D-3oyzA:
undetectable		 6av6C-3oyzA:
13.17
6av6D-3oyzA:
13.17
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		4 PHE A 103
SER A  24
VAL A  22
ARG A  44
 COA  A2001 (-3.6A)
COA  A2001 (-3.2A)
COA  A2001 ( 4.9A)
COA  A2001 (-3.2A)
 1.26A 6av6C-3ubmA:
undetectable
6av6D-3ubmA:
undetectable		 6av6C-3ubmA:
8.47
6av6D-3ubmA:
8.47
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 PHE A 276
GLU A 271
SER A 270
VAL A 267
 None
 1.22A 6av6C-3up4A:
undetectable
6av6D-3up4A:
undetectable		 6av6C-3up4A:
8.86
6av6D-3up4A:
8.86
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.
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
 1.30A 6av6C-3vh1A:
undetectable
6av6D-3vh1A:
undetectable		 6av6C-3vh1A:
9.04
6av6D-3vh1A:
9.04
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.
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)
 1.03A 6av6C-3vv4A:
undetectable
6av6D-3vv4A:
undetectable		 6av6C-3vv4A:
15.14
6av6D-3vv4A:
15.14
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.
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
 1.14A 6av6C-3w0sA:
0.0
6av6D-3w0sA:
undetectable		 6av6C-3w0sA:
13.82
6av6D-3w0sA:
13.82
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.
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
 1.32A 6av6C-3wsyA:
undetectable
6av6D-3wsyA:
undetectable		 6av6C-3wsyA:
9.38
6av6D-3wsyA:
9.38
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.
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
 0.97A 6av6C-3zq6A:
undetectable
6av6D-3zq6A:
undetectable		 6av6C-3zq6A:
12.42
6av6D-3zq6A:
12.42
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.
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
 1.41A 6av6C-4acoA:
undetectable
6av6D-4acoA:
undetectable		 6av6C-4acoA:
6.71
6av6D-4acoA:
6.71
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.
4ce4 MRPL44

(Sus scrofa) 		no annotation 4 PHE h 196
GLU h 127
SER h 131
ARG h 192
 None
 1.18A 6av6C-4ce4h:
undetectable
6av6D-4ce4h:
undetectable		 6av6C-4ce4h:
17.49
6av6D-4ce4h:
17.49
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.
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
 1.41A 6av6C-4cu8A:
undetectable
6av6D-4cu8A:
undetectable		 6av6C-4cu8A:
7.31
6av6D-4cu8A:
7.31
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		4 PHE A  80
GLU A  78
SER A  75
ARG A  50
 None
 1.41A 6av6C-4eeiA:
undetectable
6av6D-4eeiA:
0.0		 6av6C-4eeiA:
10.90
6av6D-4eeiA:
10.90
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.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 GLU A 393
SER A 390
VAL A 392
ARG A 278
 None
 1.31A 6av6C-4gs1A:
undetectable
6av6D-4gs1A:
undetectable		 6av6C-4gs1A:
12.24
6av6D-4gs1A:
12.24
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.
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
 0.99A 6av6C-4gs1A:
undetectable
6av6D-4gs1A:
undetectable		 6av6C-4gs1A:
12.24
6av6D-4gs1A:
12.24
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.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 4 PHE A  91
GLU A 126
SER A 116
TRP A 125
 None
 1.26A 6av6C-4gymA:
undetectable
6av6D-4gymA:
undetectable		 6av6C-4gymA:
21.92
6av6D-4gymA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 PHE A 397
GLU A 384
SER A 386
VAL A  61
 None
 1.22A 6av6C-4k7cA:
undetectable
6av6D-4k7cA:
0.3		 6av6C-4k7cA:
10.96
6av6D-4k7cA:
10.96
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.
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
 1.36A 6av6C-4kdzA:
undetectable
6av6D-4kdzA:
undetectable		 6av6C-4kdzA:
18.18
6av6D-4kdzA:
18.18
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.
4kha SPT16M-HISTONE H2B
1.1 CHIMERA

(Chaetomium
thermophilum;
Xenopus laevis) 		PF00125
(Histone)
PF08512
(Rtt106)
PF08644
(SPT16) 		4 GLU A 892
SER A 893
VAL A 891
ARG A 862
 None
 1.26A 6av6C-4khaA:
0.5
6av6D-4khaA:
undetectable		 6av6C-4khaA:
10.98
6av6D-4khaA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.22A 6av6C-4nk2A:
undetectable
6av6D-4nk2A:
undetectable		 6av6C-4nk2A:
19.13
6av6D-4nk2A:
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.
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 6av6C-4nk2A:
undetectable
6av6D-4nk2A:
undetectable		 6av6C-4nk2A:
19.13
6av6D-4nk2A:
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.16A 6av6C-4o6xA:
undetectable
6av6D-4o6xA:
undetectable		 6av6C-4o6xA:
16.24
6av6D-4o6xA:
16.24
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.
4oxc E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		4 PHE A  33
SER A  40
VAL A  42
TRP A  73
 None
 1.30A 6av6C-4oxcA:
undetectable
6av6D-4oxcA:
undetectable		 6av6C-4oxcA:
22.52
6av6D-4oxcA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 271
GLU A 148
SER A 147
VAL A  40
 None
 1.27A 6av6C-4qn3A:
undetectable
6av6D-4qn3A:
undetectable		 6av6C-4qn3A:
10.78
6av6D-4qn3A:
10.78
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.
4qqv INTERLEUKIN-3
RECEPTOR CLASS 2
SUBUNIT BETA

(Mus musculus) 		PF09240
(IL6Ra-bind)
PF09294
(Interfer-bind) 		4 TRP A 164
GLU A 165
SER A 163
ARG A 195
 None
 1.17A 6av6C-4qqvA:
undetectable
6av6D-4qqvA:
undetectable		 6av6C-4qqvA:
13.48
6av6D-4qqvA:
13.48
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.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01040
(UbiA) 		4 TRP A  60
PHE A  57
SER A  64
TRP A  26
 None
 1.39A 6av6C-4tq5A:
undetectable
6av6D-4tq5A:
undetectable		 6av6C-4tq5A:
14.63
6av6D-4tq5A:
14.63
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.09A 6av6C-4u3vA:
undetectable
6av6D-4u3vA:
undetectable		 6av6C-4u3vA:
13.10
6av6D-4u3vA:
13.10
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.
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
 1.27A 6av6C-4udrA:
undetectable
6av6D-4udrA:
0.8		 6av6C-4udrA:
11.00
6av6D-4udrA:
11.00
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.
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 6av6C-4zhjA:
undetectable
6av6D-4zhjA:
undetectable		 6av6C-4zhjA:
5.27
6av6D-4zhjA:
5.27
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 PHE A1476
SER A1423
VAL A1426
TRP A1425
 None
 1.28A 6av6C-5a31A:
undetectable
6av6D-5a31A:
undetectable		 6av6C-5a31A:
4.67
6av6D-5a31A:
4.67
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.
5cag UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF17145
(DUF5119) 		4 PHE A 220
GLU A 156
SER A 157
VAL A 134
 None
 1.34A 6av6C-5cagA:
undetectable
6av6D-5cagA:
undetectable		 6av6C-5cagA:
12.50
6av6D-5cagA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 6av6C-5csuA:
undetectable
6av6D-5csuA:
undetectable		 6av6C-5csuA:
8.35
6av6D-5csuA:
8.35
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.
5f4e IZUMO SPERM-EGG
FUSION PROTEIN 1
SPERM-EGG FUSION
PROTEIN JUNO

(Homo sapiens) 		PF03024
(Folate_rec)
PF15005
(IZUMO)
PF16706
(Izumo-Ig) 		4 PHE B  77
VAL A  77
ARG B  87
TRP A 148
 None
 1.21A 6av6C-5f4eB:
undetectable
6av6D-5f4eB:
undetectable		 6av6C-5f4eB:
18.54
6av6D-5f4eB:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fgu GREEN FLUORESCENT
PROTEIN,EXTRACELLULA
R STREPTODORNASE D

(Aequorea
victoria;
Streptococcus
pyogenes) 		PF01353
(GFP)
PF13930
(Endonuclea_NS_2) 		4 PHE A 165
SER A 202
VAL A 224
ARG A  96
 CR2  A  66 (-4.8A)
None
None
CR2  A  66 ( 3.1A)
 1.42A 6av6C-5fguA:
undetectable
6av6D-5fguA:
undetectable		 6av6C-5fguA:
9.40
6av6D-5fguA:
9.40
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.
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
 1.42A 6av6C-5gn5A:
0.8
6av6D-5gn5A:
0.0		 6av6C-5gn5A:
11.27
6av6D-5gn5A:
11.27
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.
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
 1.41A 6av6C-5gplA:
undetectable
6av6D-5gplA:
undetectable		 6av6C-5gplA:
12.77
6av6D-5gplA:
12.77
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		4 GLU A 148
SER A 149
VAL A 151
ARG A 106
 None
 1.44A 6av6C-5i6sA:
undetectable
6av6D-5i6sA:
undetectable		 6av6C-5i6sA:
13.95
6av6D-5i6sA:
13.95
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 TRP A 239
PHE A 249
GLU A 205
SER A 201
 None
 1.09A 6av6C-5iwzA:
undetectable
6av6D-5iwzA:
undetectable		 6av6C-5iwzA:
10.21
6av6D-5iwzA:
10.21
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.12A 6av6C-5jseA:
undetectable
6av6D-5jseA:
undetectable		 6av6C-5jseA:
7.63
6av6D-5jseA:
7.63
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.18A 6av6C-5lp8B:
undetectable
6av6D-5lp8B:
undetectable		 6av6C-5lp8B:
10.22
6av6D-5lp8B:
10.22
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.31A 6av6C-5m7rA:
0.0
6av6D-5m7rA:
undetectable		 6av6C-5m7rA:
6.45
6av6D-5m7rA:
6.45
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.
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
 1.11A 6av6C-5m8tA:
undetectable
6av6D-5m8tA:
undetectable		 6av6C-5m8tA:
10.72
6av6D-5m8tA:
10.72
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		4 PHE A 508
GLU A 478
SER A 519
VAL A 477
 None
 1.43A 6av6C-5n29A:
undetectable
6av6D-5n29A:
undetectable		 6av6C-5n29A:
15.45
6av6D-5n29A:
15.45
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.40A 6av6C-5no8A:
undetectable
6av6D-5no8A:
0.3		 6av6C-5no8A:
8.38
6av6D-5no8A:
8.38
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE W 558
GLU W 527
SER W 523
ARG W 537
 None
 1.42A 6av6C-5o9gW:
undetectable
6av6D-5o9gW:
undetectable		 6av6C-5o9gW:
4.34
6av6D-5o9gW:
4.34
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.
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
 1.22A 6av6C-5tulA:
undetectable
6av6D-5tulA:
undetectable		 6av6C-5tulA:
10.84
6av6D-5tulA:
10.84
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.42A 6av6C-5uhpA:
undetectable
6av6D-5uhpA:
undetectable		 6av6C-5uhpA:
12.37
6av6D-5uhpA:
12.37
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 GLU A  24
SER A  45
VAL A  23
ARG A  30
 None
 1.30A 6av6C-5uj1A:
undetectable
6av6D-5uj1A:
undetectable		 6av6C-5uj1A:
19.05
6av6D-5uj1A:
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 1.03A 6av6C-5vyoA:
undetectable
6av6D-5vyoA:
undetectable		 6av6C-5vyoA:
22.22
6av6D-5vyoA:
22.22
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.
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
 0.98A 6av6C-5wb5A:
0.4
6av6D-5wb5A:
undetectable		 6av6C-5wb5A:
23.26
6av6D-5wb5A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 6av6C-5wlyA:
undetectable
6av6D-5wlyA:
undetectable		 6av6C-5wlyA:
20.00
6av6D-5wlyA:
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.
5wrr PSEUDOKINASE FAM20A

(Homo sapiens) 		PF06702
(Fam20C) 		4 PHE A 228
SER A 195
VAL A 295
ARG A 284
 None
 1.37A 6av6C-5wrrA:
undetectable
6av6D-5wrrA:
undetectable		 6av6C-5wrrA:
10.60
6av6D-5wrrA:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.41A 6av6C-5x2oB:
undetectable
6av6D-5x2oB:
undetectable		 6av6C-5x2oB:
10.46
6av6D-5x2oB:
10.46
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 4 PHE C 276
SER C 260
VAL C 343
ARG C 332
 None
 1.41A 6av6C-5yh3C:
undetectable
6av6D-5yh3C:
undetectable		 6av6C-5yh3C:
25.26
6av6D-5yh3C:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 6av6C-5yx2B:
undetectable
6av6D-5yx2B:
undetectable		 6av6C-5yx2B:
21.59
6av6D-5yx2B:
21.59
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.
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 6av6C-6c6yB:
undetectable
6av6D-6c6yB:
undetectable		 6av6C-6c6yB:
20.65
6av6D-6c6yB:
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 TRP C 262
PHE C 254
SER C 402
VAL C 397
 None
 1.20A 6av6C-6f0kC:
undetectable
6av6D-6f0kC:
undetectable		 6av6C-6f0kC:
24.74
6av6D-6f0kC:
24.74
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.
6gsa -

(-) 		no annotation 4 PHE E 359
GLU E 229
SER E 232
ARG E 355
 None
 1.41A 6av6C-6gsaE:
undetectable
6av6D-6gsaE:
undetectable		 6av6C-6gsaE:
undetectable
6av6D-6gsaE:
undetectable