SIMILAR PATTERNS OF AMINO ACIDS FOR 6AV6_B_H4BB501

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 SER A 203
ARG A 104
PHE A 207
GLU A 204
 None
 1.30A 6av6A-1a88A:
0.0
6av6B-1a88A:
0.0		 6av6A-1a88A:
15.25
6av6B-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 SER A 201
ARG A 102
PHE A 205
GLU A 202
 None
 1.35A 6av6A-1a8sA:
0.0
6av6B-1a8sA:
0.0		 6av6A-1a8sA:
12.41
6av6B-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 SER A  21
TRP A 397
PHE A 400
GLU A 396
 None
ACT  A 518 ( 4.2A)
None
None
 1.44A 6av6A-1b2hA:
0.0
6av6B-1b2hA:
0.0		 6av6A-1b2hA:
10.55
6av6B-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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 SER A 356
VAL A 358
PHE A 248
GLU A 359
 None
 1.44A 6av6A-1bg6A:
0.0
6av6B-1bg6A:
0.0		 6av6A-1bg6A:
14.62
6av6B-1bg6A:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 SER A 142
VAL A 140
TRP A 141
GLU A 143
 None
 1.31A 6av6A-1hv5A:
0.0
6av6B-1hv5A:
0.0		 6av6A-1hv5A:
17.58
6av6B-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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		4 SER A  87
ARG A  74
PHE A  76
GLU A 143
 None
 1.39A 6av6A-1j85A:
0.0
6av6B-1j85A:
undetectable		 6av6A-1j85A:
16.25
6av6B-1j85A:
16.25
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 SER A 313
VAL A 284
ARG A  20
GLU A 314
 None
 1.36A 6av6A-1juhA:
undetectable
6av6B-1juhA:
0.0		 6av6A-1juhA:
13.90
6av6B-1juhA:
13.90
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER L 236
ARG L 500
PHE L 502
GLU L 339
 None
 0.96A 6av6A-1kfuL:
0.0
6av6B-1kfuL:
0.0		 6av6A-1kfuL:
7.16
6av6B-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 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.36A 6av6A-1l5jA:
0.0
6av6B-1l5jA:
0.0		 6av6A-1l5jA:
7.08
6av6B-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)
 0.27A 6av6A-1m9qA:
61.5
6av6B-1m9qA:
63.1		 6av6A-1m9qA:
100.00
6av6B-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 SER N 228
VAL N 122
PHE N 352
GLU N 229
 None
 1.41A 6av6A-1nmbN:
undetectable
6av6B-1nmbN:
undetectable		 6av6A-1nmbN:
10.32
6av6B-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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 VAL A 200
ARG A 160
TRP A  27
PHE A 154
 None
None
SO4  A 400 (-3.4A)
SO4  A 400 (-4.6A)
 1.26A 6av6A-1nrkA:
undetectable
6av6B-1nrkA:
undetectable		 6av6A-1nrkA:
12.79
6av6B-1nrkA:
12.79
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 SER B 485
VAL B 487
TRP B 482
PHE B 479
 None
None
None
K  B 703 ( 4.8A)
 1.29A 6av6A-1ovlB:
undetectable
6av6B-1ovlB:
undetectable		 6av6A-1ovlB:
13.70
6av6B-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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER A 236
ARG A 501
PHE A 503
GLU A 339
 None
 1.39A 6av6A-1qxpA:
undetectable
6av6B-1qxpA:
undetectable		 6av6A-1qxpA:
7.35
6av6B-1qxpA:
7.35
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 SER A 116
VAL A 114
TRP A 120
GLU A 113
 None
 1.28A 6av6A-1ua7A:
undetectable
6av6B-1ua7A:
undetectable		 6av6A-1ua7A:
11.16
6av6B-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 SER A 428
VAL A 431
PHE A 515
GLU A 459
 None
 1.27A 6av6A-1w27A:
0.0
6av6B-1w27A:
undetectable		 6av6A-1w27A:
8.10
6av6B-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 SER A 272
VAL A 332
TRP A 330
TRP A 286
 None
None
None
GOL  A1002 (-3.4A)
 1.38A 6av6A-1x1nA:
undetectable
6av6B-1x1nA:
0.0		 6av6A-1x1nA:
11.42
6av6B-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.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		4 SER A 176
VAL A 367
PHE A 412
GLU A 177
 None
 1.31A 6av6A-2c6sA:
undetectable
6av6B-2c6sA:
undetectable		 6av6A-2c6sA:
11.09
6av6B-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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.42A 6av6A-2d52A:
undetectable
6av6B-2d52A:
undetectable		 6av6A-2d52A:
12.32
6av6B-2d52A:
12.32
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 VAL A  27
TRP A  15
PHE A 123
GLU A  30
 None
 1.35A 6av6A-2d9jA:
undetectable
6av6B-2d9jA:
undetectable		 6av6A-2d9jA:
18.31
6av6B-2d9jA:
18.31
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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 SER A 117
VAL A 115
TRP A 113
GLU A 116
 None
 1.26A 6av6A-2ebwA:
undetectable
6av6B-2ebwA:
undetectable		 6av6A-2ebwA:
15.31
6av6B-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 SER A 428
TRP A 129
PHE A 233
GLU A 431
 None
 1.22A 6av6A-2glfA:
0.0
6av6B-2glfA:
undetectable		 6av6A-2glfA:
13.17
6av6B-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 VAL A  23
ARG A 116
PHE A  29
GLU A  27
 None
 1.21A 6av6A-2incA:
undetectable
6av6B-2incA:
undetectable		 6av6A-2incA:
8.09
6av6B-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.
2jd3 STBB PROTEIN

(Escherichia
coli) 		PF10784
(Plasmid_stab_B) 		4 SER A  34
VAL A  31
PHE A  40
GLU A  35
 None
 1.45A 6av6A-2jd3A:
undetectable
6av6B-2jd3A:
undetectable		 6av6A-2jd3A:
20.87
6av6B-2jd3A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m0m MINOR AMPULLATE
FIBROIN 1

(Nephila
antipodiana) 		PF11260
(Spidroin_MaSp) 		4 SER A  76
VAL A  73
PHE A  63
GLU A  77
 None
 1.42A 6av6A-2m0mA:
undetectable
6av6B-2m0mA:
undetectable		 6av6A-2m0mA:
19.83
6av6B-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 SER A 132
VAL A 129
TRP A 130
PHE A  29
 None
 1.29A 6av6A-2o1eA:
undetectable
6av6B-2o1eA:
undetectable		 6av6A-2o1eA:
13.33
6av6B-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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		4 SER A 430
VAL A 426
ARG A 453
GLU A 465
 None
 1.21A 6av6A-2oceA:
undetectable
6av6B-2oceA:
0.0		 6av6A-2oceA:
7.18
6av6B-2oceA:
7.18
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 SER A 150
VAL A 207
PHE A 276
GLU A 115
 None
 1.36A 6av6A-2qw8A:
undetectable
6av6B-2qw8A:
undetectable		 6av6A-2qw8A:
11.90
6av6B-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 SER A 195
VAL A 193
ARG A 112
GLU A 198
 None
 1.32A 6av6A-2rauA:
undetectable
6av6B-2rauA:
undetectable		 6av6A-2rauA:
12.28
6av6B-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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.43A 6av6A-2rttA:
undetectable
6av6B-2rttA:
undetectable		 6av6A-2rttA:
22.61
6av6B-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 SER A 224
VAL A 228
TRP A 189
PHE A 181
 None
 1.29A 6av6A-2vutA:
undetectable
6av6B-2vutA:
undetectable		 6av6A-2vutA:
13.86
6av6B-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 SER A 240
VAL A 243
TRP A 241
PHE A 196
 None
 1.36A 6av6A-2wjvA:
undetectable
6av6B-2wjvA:
undetectable		 6av6A-2wjvA:
7.53
6av6B-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 SER A 106
VAL A 109
PHE A 135
GLU A 137
 None
 1.19A 6av6A-2xblA:
undetectable
6av6B-2xblA:
undetectable		 6av6A-2xblA:
17.98
6av6B-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 SER A  21
TRP A 397
PHE A 400
GLU A 396
 None
 1.42A 6av6A-2z23A:
undetectable
6av6B-2z23A:
undetectable		 6av6A-2z23A:
9.66
6av6B-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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.03A 6av6A-3ckbA:
undetectable
6av6B-3ckbA:
undetectable		 6av6A-3ckbA:
11.08
6av6B-3ckbA:
11.08
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.
3euw MYO-INOSITOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A  54
VAL A  52
PHE A  59
GLU A  57
 None
 1.06A 6av6A-3euwA:
undetectable
6av6B-3euwA:
undetectable		 6av6A-3euwA:
14.44
6av6B-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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A4019
TRP A4065
PHE A4109
GLU A4033
 None
 1.31A 6av6A-3g1nA:
undetectable
6av6B-3g1nA:
undetectable		 6av6A-3g1nA:
10.57
6av6B-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 SER A   7
VAL A  89
ARG A  76
PHE A  83
 None
None
CIT  A  97 (-3.8A)
CIT  A  97 (-4.7A)
 1.20A 6av6A-3gz7A:
undetectable
6av6B-3gz7A:
undetectable		 6av6A-3gz7A:
21.30
6av6B-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 SER A  81
VAL A  83
PHE A  74
GLU A  80
 None
 1.14A 6av6A-3hcyA:
undetectable
6av6B-3hcyA:
undetectable		 6av6A-3hcyA:
21.19
6av6B-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 SER C  69
ARG C  63
TRP C 219
GLU C 214
 None
 1.14A 6av6A-3if6C:
0.0
6av6B-3if6C:
undetectable		 6av6A-3if6C:
13.96
6av6B-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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 VAL A  89
ARG A 109
PHE A  93
GLU A  69
 None
 1.46A 6av6A-3k77A:
undetectable
6av6B-3k77A:
undetectable		 6av6A-3k77A:
20.00
6av6B-3k77A:
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 SER A 468
ARG A 478
PHE A  19
GLU A 461
 None
 1.37A 6av6A-3kveA:
undetectable
6av6B-3kveA:
undetectable		 6av6A-3kveA:
10.27
6av6B-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 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.29A 6av6A-3lccA:
undetectable
6av6B-3lccA:
undetectable		 6av6A-3lccA:
17.06
6av6B-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.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		4 SER A 141
TRP A 142
PHE A 120
GLU A 124
 None
 1.26A 6av6A-3mg9A:
undetectable
6av6B-3mg9A:
undetectable		 6av6A-3mg9A:
15.23
6av6B-3mg9A:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 171
ARG A 159
PHE A 155
GLU A 168
 None
 1.18A 6av6A-3n0gA:
undetectable
6av6B-3n0gA:
0.0		 6av6A-3n0gA:
8.91
6av6B-3n0gA:
8.91
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 394
TRP A 391
PHE A 388
GLU A 390
 None
None
None
GOL  A 507 (-2.5A)
 1.13A 6av6A-3n0qA:
undetectable
6av6B-3n0qA:
undetectable		 6av6A-3n0qA:
12.22
6av6B-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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 SER A 270
VAL A 267
PHE A 276
GLU A 271
 None
 1.21A 6av6A-3up4A:
0.0
6av6B-3up4A:
undetectable		 6av6A-3up4A:
8.86
6av6B-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 SER A 177
VAL A  78
TRP A 179
PHE A 172
 None
 1.31A 6av6A-3vh1A:
undetectable
6av6B-3vh1A:
undetectable		 6av6A-3vh1A:
9.04
6av6B-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 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.07A 6av6A-3vv4A:
undetectable
6av6B-3vv4A:
undetectable		 6av6A-3vv4A:
15.14
6av6B-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 SER A 218
TRP A 217
PHE A 136
GLU A 219
 HY0  A 401 (-3.5A)
None
None
HY0  A 401 (-4.0A)
 1.16A 6av6A-3w0sA:
undetectable
6av6B-3w0sA:
undetectable		 6av6A-3w0sA:
13.82
6av6B-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 SER A 275
VAL A 297
PHE A 278
GLU A 267
 None
 1.29A 6av6A-3wsyA:
undetectable
6av6B-3wsyA:
undetectable		 6av6A-3wsyA:
9.38
6av6B-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 SER A 164
VAL A 166
TRP A 165
PHE A 158
 None
 0.96A 6av6A-3zq6A:
0.5
6av6B-3zq6A:
undetectable		 6av6A-3zq6A:
12.42
6av6B-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 SER A 232
ARG A 355
PHE A 359
GLU A 229
 None
 1.34A 6av6A-4acoA:
undetectable
6av6B-4acoA:
undetectable		 6av6A-4acoA:
6.71
6av6B-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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 240
VAL A 281
ARG A 521
PHE A 522
 None
 1.24A 6av6A-4cu8A:
undetectable
6av6B-4cu8A:
undetectable		 6av6A-4cu8A:
7.31
6av6B-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 SER A  75
ARG A  50
PHE A  80
GLU A  78
 None
 1.42A 6av6A-4eeiA:
undetectable
6av6B-4eeiA:
undetectable		 6av6A-4eeiA:
10.90
6av6B-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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 SER A 174
ARG A 331
TRP A 148
GLU A 175
 NAD  A 601 (-3.8A)
None
NAD  A 601 (-4.0A)
NAD  A 601 (-3.7A)
 1.46A 6av6A-4go4A:
undetectable
6av6B-4go4A:
undetectable		 6av6A-4go4A:
10.64
6av6B-4go4A:
10.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		4 SER A 390
VAL A 392
ARG A 278
GLU A 393
 None
 1.35A 6av6A-4gs1A:
undetectable
6av6B-4gs1A:
undetectable		 6av6A-4gs1A:
12.24
6av6B-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 SER A 390
VAL A 392
ARG A 278
PHE A 384
 None
None
None
HEM  A 501 (-4.0A)
 0.95A 6av6A-4gs1A:
undetectable
6av6B-4gs1A:
undetectable		 6av6A-4gs1A:
12.24
6av6B-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.
4hsq PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		PF16569
(GramPos_pilinBB) 		4 SER A 431
VAL A 442
ARG A 288
GLU A 441
 None
 1.35A 6av6A-4hsqA:
undetectable
6av6B-4hsqA:
undetectable		 6av6A-4hsqA:
14.29
6av6B-4hsqA:
14.29
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.
4hss PUTATIVE FIMBRIAL
SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 4 SER A 431
VAL A 442
ARG A 288
GLU A 441
 None
 1.45A 6av6A-4hssA:
undetectable
6av6B-4hssA:
undetectable		 6av6A-4hssA:
10.12
6av6B-4hssA:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iua HEPATOCYTE GROWTH
FACTOR

(Mus musculus) 		PF00024
(PAN_1)
PF00051
(Kringle) 		4 SER A  67
VAL A  65
PHE A  88
GLU A  70
 None
 1.46A 6av6A-4iuaA:
undetectable
6av6B-4iuaA:
undetectable		 6av6A-4iuaA:
13.68
6av6B-4iuaA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7c AMINOPEPTIDASE C

(Lactobacillus
rhamnosus) 		PF03051
(Peptidase_C1_2) 		4 SER A 386
VAL A  61
PHE A 397
GLU A 384
 None
 1.21A 6av6A-4k7cA:
undetectable
6av6B-4k7cA:
undetectable		 6av6A-4k7cA:
10.96
6av6B-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 SER A  87
ARG A  74
PHE A  76
GLU A 143
 None
 1.28A 6av6A-4kdzA:
undetectable
6av6B-4kdzA:
undetectable		 6av6A-4kdzA:
18.18
6av6B-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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.33A 6av6A-4mh1A:
undetectable
6av6B-4mh1A:
undetectable		 6av6A-4mh1A:
12.15
6av6B-4mh1A:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 SER A 185
VAL A 182
PHE A 191
GLU A 186
 None
 1.18A 6av6A-4nk2A:
undetectable
6av6B-4nk2A:
undetectable		 6av6A-4nk2A:
19.13
6av6B-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 SER A 185
VAL A 182
TRP A 159
GLU A 186
 None
 1.23A 6av6A-4nk2A:
undetectable
6av6B-4nk2A:
undetectable		 6av6A-4nk2A:
19.13
6av6B-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.
4nob POLYMERIC
IMMUNOGLOBULIN
RECEPTOR

(Mus musculus) 		PF07686
(V-set) 		4 SER A  29
VAL A 127
ARG A  57
GLU A 126
 None
None
EDO  A 204 (-4.0A)
MG  A 202 (-2.6A)
 1.45A 6av6A-4nobA:
undetectable
6av6B-4nobA:
undetectable		 6av6A-4nobA:
20.49
6av6B-4nobA:
20.49
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.13A 6av6A-4o6xA:
undetectable
6av6B-4o6xA:
undetectable		 6av6A-4o6xA:
16.24
6av6B-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 SER A  40
VAL A  42
TRP A  73
PHE A  33
 None
 1.27A 6av6A-4oxcA:
undetectable
6av6B-4oxcA:
undetectable		 6av6A-4oxcA:
22.52
6av6B-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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		4 SER A 167
VAL A 164
PHE A  59
GLU A 168
 None
 1.45A 6av6A-4p3hA:
undetectable
6av6B-4p3hA:
undetectable		 6av6A-4p3hA:
19.05
6av6B-4p3hA:
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.
4qqv INTERLEUKIN-3
RECEPTOR CLASS 2
SUBUNIT BETA

(Mus musculus) 		PF09240
(IL6Ra-bind)
PF09294
(Interfer-bind) 		4 SER A 163
ARG A 195
TRP A 164
GLU A 165
 None
 1.20A 6av6A-4qqvA:
undetectable
6av6B-4qqvA:
undetectable		 6av6A-4qqvA:
13.48
6av6B-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 SER A  64
TRP A  26
TRP A  60
PHE A  57
 None
 1.45A 6av6A-4tq5A:
undetectable
6av6B-4tq5A:
undetectable		 6av6A-4tq5A:
14.63
6av6B-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 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.11A 6av6A-4u3vA:
undetectable
6av6B-4u3vA:
undetectable		 6av6A-4u3vA:
13.10
6av6B-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 SER A 308
VAL A 465
TRP A 369
GLU A 306
 None
 1.22A 6av6A-4udrA:
undetectable
6av6B-4udrA:
undetectable		 6av6A-4udrA:
11.00
6av6B-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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 SER A 804
VAL A 806
PHE A 997
GLU A 803
 None
 1.44A 6av6A-4xqkA:
0.0
6av6B-4xqkA:
undetectable		 6av6A-4xqkA:
4.46
6av6B-4xqkA:
4.46
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 SER A  86
VAL A 113
TRP A 193
PHE A 204
 None
 1.35A 6av6A-4zhjA:
undetectable
6av6B-4zhjA:
0.0		 6av6A-4zhjA:
5.27
6av6B-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 SER A1423
VAL A1426
TRP A1425
PHE A1476
 None
 1.31A 6av6A-5a31A:
undetectable
6av6B-5a31A:
undetectable		 6av6A-5a31A:
4.67
6av6B-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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		4 SER A 324
VAL A 384
TRP A 382
TRP A 338
 None
None
None
HMC  A 606 ( 3.6A)
 1.38A 6av6A-5csuA:
undetectable
6av6B-5csuA:
0.0		 6av6A-5csuA:
8.35
6av6B-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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 VAL A 324
TRP A 326
PHE A 359
GLU A 325
 None
 1.43A 6av6A-5gn5A:
undetectable
6av6B-5gn5A:
undetectable		 6av6A-5gn5A:
11.27
6av6B-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 SER A  70
VAL A  51
PHE A 161
GLU A  55
 None
 1.38A 6av6A-5gplA:
undetectable
6av6B-5gplA:
undetectable		 6av6A-5gplA:
12.77
6av6B-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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 SER A 201
TRP A 239
PHE A 249
GLU A 205
 None
 1.14A 6av6A-5iwzA:
undetectable
6av6B-5iwzA:
undetectable		 6av6A-5iwzA:
10.21
6av6B-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 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.16A 6av6A-5jseA:
undetectable
6av6B-5jseA:
undetectable		 6av6A-5jseA:
7.63
6av6B-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.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		4 SER A  74
TRP A  73
PHE A  79
GLU A  71
 None
None
HEC  A 201 (-4.4A)
None
 1.24A 6av6A-5jt4A:
undetectable
6av6B-5jt4A:
undetectable		 6av6A-5jt4A:
18.55
6av6B-5jt4A:
18.55
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.22A 6av6A-5lp8B:
undetectable
6av6B-5lp8B:
undetectable		 6av6A-5lp8B:
10.22
6av6B-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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 SER A 278
ARG A  44
PHE A  43
GLU A 282
 None
 1.38A 6av6A-5mqzA:
undetectable
6av6B-5mqzA:
0.0		 6av6A-5mqzA:
23.17
6av6B-5mqzA:
23.17
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		4 SER A 519
VAL A 477
PHE A 508
GLU A 478
 None
 1.43A 6av6A-5n29A:
undetectable
6av6B-5n29A:
undetectable		 6av6A-5n29A:
15.45
6av6B-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 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.44A 6av6A-5no8A:
undetectable
6av6B-5no8A:
undetectable		 6av6A-5no8A:
8.38
6av6B-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 SER W 523
ARG W 537
PHE W 558
GLU W 527
 None
 1.45A 6av6A-5o9gW:
undetectable
6av6B-5o9gW:
undetectable		 6av6A-5o9gW:
4.34
6av6B-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 SER A 350
TRP A 346
PHE A 343
GLU A 349
 None
 1.25A 6av6A-5tulA:
undetectable
6av6B-5tulA:
undetectable		 6av6A-5tulA:
10.84
6av6B-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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  45
VAL A  23
ARG A  30
GLU A  24
 None
 1.45A 6av6A-5uj1A:
0.0
6av6B-5uj1A:
undetectable		 6av6A-5uj1A:
19.05
6av6B-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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 168
ARG A 156
PHE A 152
GLU A 165
 None
 1.29A 6av6A-5uv2A:
undetectable
6av6B-5uv2A:
0.0		 6av6A-5uv2A:
7.06
6av6B-5uv2A:
7.06
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 0.97A 6av6A-5vyoA:
0.0
6av6B-5vyoA:
undetectable		 6av6A-5vyoA:
22.22
6av6B-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 SER A  49
VAL A  47
PHE A  54
GLU A  52
 None
 1.01A 6av6A-5wb5A:
undetectable
6av6B-5wb5A:
undetectable		 6av6A-5wb5A:
23.26
6av6B-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 SER A 224
ARG A  24
TRP A 219
GLU A 222
 None
 1.17A 6av6A-5wlyA:
undetectable
6av6B-5wlyA:
undetectable		 6av6A-5wlyA:
20.00
6av6B-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 SER A 195
VAL A 295
ARG A 284
PHE A 228
 None
 1.46A 6av6A-5wrrA:
undetectable
6av6B-5wrrA:
undetectable		 6av6A-5wrrA:
10.60
6av6B-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 SER B 299
VAL B 272
TRP B 302
PHE B 284
 None
 1.38A 6av6A-5x2oB:
undetectable
6av6B-5x2oB:
undetectable		 6av6A-5x2oB:
10.46
6av6B-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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 0.97A 6av6A-5xyic:
undetectable
6av6B-5xyic:
undetectable		 6av6A-5xyic:
22.47
6av6B-5xyic:
22.47
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.
5yx2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 4 SER B 299
VAL B 297
TRP B 324
PHE B 284
 None
 1.34A 6av6A-5yx2B:
undetectable
6av6B-5yx2B:
undetectable		 6av6A-5yx2B:
21.59
6av6B-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 SER B 121
VAL B 125
PHE B 209
GLU B 122
 None
 1.40A 6av6A-6c6yB:
undetectable
6av6B-6c6yB:
undetectable		 6av6A-6c6yB:
20.65
6av6B-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.
6gsa -

(-) 		no annotation 4 SER E 232
ARG E 355
PHE E 359
GLU E 229
 None
 1.34A 6av6A-6gsaE:
undetectable
6av6B-6gsaE:
undetectable		 6av6A-6gsaE:
undetectable
6av6B-6gsaE:
undetectable