SIMILAR PATTERNS OF AMINO ACIDS FOR 6HUO_D_08HD501_0

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.
1aq0 1,3-1,4-BETA-GLUCANA
SE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		4 ASN A 205
PHE A 189
VAL A 230
SER A 233
 None
 1.24A 6huoC-1aq0A:
undetectable
6huoD-1aq0A:
undetectable		 6huoC-1aq0A:
14.33
6huoD-1aq0A:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		4 PHE A 222
PHE A 256
VAL A 206
TYR A 208
 None
 1.06A 6huoC-1cvrA:
1.2
6huoD-1cvrA:
1.4		 6huoC-1cvrA:
10.50
6huoD-1cvrA:
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.
1i4s RIBONUCLEASE III

(Aquifex
aeolicus) 		PF14622
(Ribonucleas_3_3) 		4 PHE A  50
VAL A 116
SER A 120
TYR A 117
 None
 1.01A 6huoC-1i4sA:
undetectable
6huoD-1i4sA:
undetectable		 6huoC-1i4sA:
20.67
6huoD-1i4sA:
20.86
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.
1iuz PLASTOCYANIN

(Ulva pertusa) 		PF00127
(Copper-bind) 		4 TYR A  80
PHE A  41
PHE A  29
VAL A  21
 None
 1.01A 6huoC-1iuzA:
undetectable
6huoD-1iuzA:
1.2		 6huoC-1iuzA:
17.89
6huoD-1iuzA:
20.79
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.
1jb7 TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		4 PHE B 139
PHE B  22
VAL B 100
SER B 102
 None
 1.11A 6huoC-1jb7B:
undetectable
6huoD-1jb7B:
0.0		 6huoC-1jb7B:
16.09
6huoD-1jb7B:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 PHE A  48
VAL A  14
SER A  43
TYR A  17
 None
 1.08A 6huoC-1juhA:
undetectable
6huoD-1juhA:
0.0		 6huoC-1juhA:
11.14
6huoD-1juhA:
12.54
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.
1ml8 HYPOTHETICAL PROTEIN
(CRP REGION)

(Escherichia
coli) 		PF02566
(OsmC) 		4 ASN A  86
HIS A 127
VAL A 105
SER A  48
 None
 1.09A 6huoC-1ml8A:
0.0
6huoD-1ml8A:
undetectable		 6huoC-1ml8A:
19.23
6huoD-1ml8A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obp ODORANT-BINDING
PROTEIN

(Bos taurus) 		PF00061
(Lipocalin) 		4 ASN A 103
PHE A  89
PHE A  40
VAL A  69
 UNX  A 198 ( 2.8A)
UNX  A 198 (-4.5A)
UNX  A 163 (-4.4A)
None
 1.23A 6huoC-1obpA:
1.0
6huoD-1obpA:
undetectable		 6huoC-1obpA:
23.49
6huoD-1obpA:
19.35
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.
1oow PLASTOCYANIN,
CHLOROPLAST

(Spinacia
oleracea) 		PF00127
(Copper-bind) 		4 TYR A  80
PHE A  41
PHE A  29
VAL A  21
 None
 1.01A 6huoC-1oowA:
1.0
6huoD-1oowA:
undetectable		 6huoC-1oowA:
21.36
6huoD-1oowA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oz9 HYPOTHETICAL PROTEIN
AQ_1354

(Aquifex
aeolicus) 		PF02130
(UPF0054) 		4 PHE A 135
HIS A 115
VAL A  69
SER A  71
 None
 0.89A 6huoC-1oz9A:
undetectable
6huoD-1oz9A:
0.0		 6huoC-1oz9A:
23.97
6huoD-1oz9A:
22.67
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.
1phj TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		4 PHE B 139
PHE B  22
VAL B 100
SER B 102
 None
 1.11A 6huoC-1phjB:
undetectable
6huoD-1phjB:
undetectable		 6huoC-1phjB:
15.53
6huoD-1phjB:
18.29
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.
1rc7 RIBONUCLEASE III

(Aquifex
aeolicus) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		4 PHE A  50
VAL A 116
SER A 120
TYR A 117
 None
 1.05A 6huoC-1rc7A:
undetectable
6huoD-1rc7A:
undetectable		 6huoC-1rc7A:
16.75
6huoD-1rc7A:
18.35
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.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		4 PHE A  70
VAL A 285
SER A 283
TYR A 161
 None
 1.25A 6huoC-1sh2A:
undetectable
6huoD-1sh2A:
undetectable		 6huoC-1sh2A:
9.82
6huoD-1sh2A:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 ASN A 162
PHE A 164
PHE A 257
VAL A 177
 None
 1.25A 6huoC-1szqA:
undetectable
6huoD-1szqA:
undetectable		 6huoC-1szqA:
13.37
6huoD-1szqA:
10.14
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		4 PHE A 202
PHE A 175
VAL A  68
SER A  71
 None
 1.24A 6huoC-1urjA:
undetectable
6huoD-1urjA:
undetectable		 6huoC-1urjA:
6.34
6huoD-1urjA:
6.84
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.
1uxo YDEN PROTEIN

(Bacillus
subtilis) 		PF06821
(Ser_hydrolase) 		4 TYR A 184
PHE A 185
VAL A 177
TYR A 178
 None
 1.19A 6huoC-1uxoA:
undetectable
6huoD-1uxoA:
undetectable		 6huoC-1uxoA:
16.40
6huoD-1uxoA:
16.84
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		4 TYR A  51
PHE A  50
VAL A 272
TYR A 169
 None
 1.02A 6huoC-1vpvA:
undetectable
6huoD-1vpvA:
undetectable		 6huoC-1vpvA:
15.05
6huoD-1vpvA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1we0 ALKYL HYDROPEROXIDE
REDUCTASE C

(Amphibacillus
xylanus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 PHE A  10
VAL A  36
SER A  34
TYR A  69
 None
 0.70A 6huoC-1we0A:
undetectable
6huoD-1we0A:
undetectable		 6huoC-1we0A:
16.40
6huoD-1we0A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zma BACTEROCIN TRANSPORT
ACCESSORY PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 ASN A  63
PHE A  61
PHE A   4
VAL A  85
 None
 0.93A 6huoC-1zmaA:
undetectable
6huoD-1zmaA:
undetectable		 6huoC-1zmaA:
20.87
6huoD-1zmaA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a2g PROTEIN
(ALPHA-2U-GLOBULIN)

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 PHE A  90
PHE A  54
VAL A 101
TYR A 120
 LEO  A 201 ( 4.2A)
LEO  A 201 (-4.0A)
None
LEO  A 201 (-4.6A)
 0.90A 6huoC-2a2gA:
undetectable
6huoD-2a2gA:
undetectable		 6huoC-2a2gA:
20.93
6huoD-2a2gA:
19.44
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.
2bz7 PLASTOCYANIN

(Dryopteris
crassirhizoma) 		PF00127
(Copper-bind) 		4 TYR A  83
PHE A  41
PHE A  29
VAL A  21
 None
 1.04A 6huoC-2bz7A:
undetectable
6huoD-2bz7A:
undetectable		 6huoC-2bz7A:
21.50
6huoD-2bz7A:
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.
2ccm CALEXCITIN

(Doryteuthis
pealeii) 		no annotation 4 PHE A 186
PHE A 165
VAL A 134
TYR A 131
 None
 0.97A 6huoC-2ccmA:
undetectable
6huoD-2ccmA:
undetectable		 6huoC-2ccmA:
16.67
6huoD-2ccmA:
18.44
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		4 ASN A  66
PHE A 229
HIS A 227
SER A  94
 None
 1.17A 6huoC-2fnuA:
undetectable
6huoD-2fnuA:
undetectable		 6huoC-2fnuA:
11.72
6huoD-2fnuA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		4 TYR A 123
PHE A 120
PHE A  87
HIS A  89
 None
 1.09A 6huoC-2fukA:
undetectable
6huoD-2fukA:
undetectable		 6huoC-2fukA:
17.06
6huoD-2fukA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2goj FE-SUPEROXIDE
DISMUTASE

(Plasmodium
falciparum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A  76
PHE A 110
VAL A 182
SER A  79
 None
 1.05A 6huoC-2gojA:
undetectable
6huoD-2gojA:
undetectable		 6huoC-2gojA:
16.67
6huoD-2gojA:
15.74
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.
2gpc IRON SUPEROXIDE
DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A  78
PHE A 112
VAL A 185
SER A  81
 None
 1.11A 6huoC-2gpcA:
undetectable
6huoD-2gpcA:
undetectable		 6huoC-2gpcA:
17.02
6huoD-2gpcA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 PHE A  51
HIS A 159
VAL A  58
SER A  55
 None
None
None
FAD  A1001 (-2.7A)
 1.24A 6huoC-2h88A:
3.7
6huoD-2h88A:
3.3		 6huoC-2h88A:
9.21
6huoD-2h88A:
9.22
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.
2i0q TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		4 PHE B 139
PHE B  22
VAL B 100
SER B 102
 None
 1.13A 6huoC-2i0qB:
undetectable
6huoD-2i0qB:
undetectable		 6huoC-2i0qB:
9.84
6huoD-2i0qB:
11.48
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1
TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 4

(Mus musculus;
Homo sapiens) 		PF04099
(Sybindin)
PF04099
(Sybindin) 		5 PHE D 142
PHE C  48
VAL D 156
SER D   5
TYR D   7
 None
 1.14A 6huoC-2j3tD:
undetectable
6huoD-2j3tD:
undetectable		 6huoC-2j3tD:
16.13
6huoD-2j3tD:
15.28
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.
2jzc UDP-N-ACETYLGLUCOSAM
INE TRANSFERASE
SUBUNIT ALG13

(Saccharomyces
cerevisiae) 		PF04101
(Glyco_tran_28_C) 		4 PHE A  77
PHE A  69
VAL A  48
SER A  46
 None
 1.19A 6huoC-2jzcA:
undetectable
6huoD-2jzcA:
undetectable		 6huoC-2jzcA:
15.18
6huoD-2jzcA:
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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 TYR A 280
PHE A 282
PHE A 347
VAL A 334
 None
 0.96A 6huoC-2nv9A:
undetectable
6huoD-2nv9A:
undetectable		 6huoC-2nv9A:
13.51
6huoD-2nv9A:
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.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		4 ASN A 389
PHE A 392
VAL A 625
SER A 622
 None
 1.00A 6huoC-2o0aA:
undetectable
6huoD-2o0aA:
undetectable		 6huoC-2o0aA:
15.11
6huoD-2o0aA:
12.75
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.
2qtd UNCHARACTERIZED
PROTEIN MJ0327

(Methanocaldococcus
jannaschii) 		PF02579
(Nitro_FeMo-Co) 		4 ASN A  43
PHE A  25
PHE A  72
SER A  50
 None
 1.17A 6huoC-2qtdA:
undetectable
6huoD-2qtdA:
undetectable		 6huoC-2qtdA:
23.16
6huoD-2qtdA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 PHE A 427
VAL A 259
SER A 261
TYR A 258
 None
 1.15A 6huoC-2vqrA:
undetectable
6huoD-2vqrA:
undetectable		 6huoC-2vqrA:
10.04
6huoD-2vqrA:
9.21
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 TYR A 357
VAL A 249
SER A 394
TYR A 248
 None
 0.99A 6huoC-2wxzA:
undetectable
6huoD-2wxzA:
undetectable		 6huoC-2wxzA:
13.03
6huoD-2wxzA:
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 TYR C 357
VAL C 249
SER C 394
TYR C 248
 None
 1.03A 6huoC-2wy0C:
undetectable
6huoD-2wy0C:
undetectable		 6huoC-2wy0C:
10.94
6huoD-2wy0C:
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 TYR A 103
PHE A 128
VAL A 110
TYR A 115
 None
 0.66A 6huoC-2xaxA:
undetectable
6huoD-2xaxA:
undetectable		 6huoC-2xaxA:
7.63
6huoD-2xaxA:
6.96
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 ASN A 516
HIS A 424
VAL A 438
SER A 421
 None
 1.21A 6huoC-3c2uA:
undetectable
6huoD-3c2uA:
undetectable		 6huoC-3c2uA:
11.06
6huoD-3c2uA:
10.77
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.
3dih PHOSPHOLIPASE A2
HOMOLOG, AMMODYTIN L

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		4 PHE A   5
PHE A  96
VAL A  46
SER A  48
 None
 1.24A 6huoC-3dihA:
undetectable
6huoD-3dihA:
undetectable		 6huoC-3dihA:
21.49
6huoD-3dihA:
18.40
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.
3eoz PUTATIVE
PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		4 TYR A 138
PHE A 139
VAL A 158
TYR A 161
 None
 1.17A 6huoC-3eozA:
undetectable
6huoD-3eozA:
undetectable		 6huoC-3eozA:
15.89
6huoD-3eozA:
15.89
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.
3f6q LIM AND SENESCENT
CELL
ANTIGEN-LIKE-CONTAIN
ING DOMAIN PROTEIN 1

(Homo sapiens) 		PF00412
(LIM) 		4 PHE B  45
VAL B  24
SER B  26
TYR B  31
 None
 1.17A 6huoC-3f6qB:
undetectable
6huoD-3f6qB:
undetectable		 6huoC-3f6qB:
19.28
6huoD-3f6qB:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 TYR A 699
PHE A 703
PHE A 176
SER A 686
 None
 1.25A 6huoC-3fedA:
3.9
6huoD-3fedA:
3.7		 6huoC-3fedA:
8.59
6huoD-3fedA:
8.08
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.
3gff IROE-LIKE SERINE
HYDROLASE

(Shewanella
oneidensis) 		PF00756
(Esterase) 		4 ASN A 135
PHE A 265
VAL A 139
SER A 162
 None
 1.13A 6huoC-3gffA:
undetectable
6huoD-3gffA:
undetectable		 6huoC-3gffA:
12.77
6huoD-3gffA:
13.75
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.
3h8w RIBONUCLEASE H

(Escherichia
virus T4) 		PF02739
(5_3_exonuc_N)
PF09293
(RNaseH_C) 		4 TYR A 104
PHE A  32
VAL A 111
SER A 107
 None
 1.02A 6huoC-3h8wA:
undetectable
6huoD-3h8wA:
undetectable		 6huoC-3h8wA:
12.54
6huoD-3h8wA:
14.57
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		4 PHE A 213
PHE A 283
VAL A 247
TYR A 245
 None
 1.16A 6huoC-3ht4A:
undetectable
6huoD-3ht4A:
undetectable		 6huoC-3ht4A:
10.93
6huoD-3ht4A:
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.
3i7j BETA-LACTAMASE
MB2281C

(Mycobacterium
bovis) 		PF00144
(Beta-lactamase) 		4 TYR A 122
PHE A 119
VAL A  59
SER A 115
 None
 1.19A 6huoC-3i7jA:
undetectable
6huoD-3i7jA:
undetectable		 6huoC-3i7jA:
15.42
6huoD-3i7jA:
16.29
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 PHE A 248
VAL A 357
SER A 245
TYR A 356
 None
 1.19A 6huoC-3iu0A:
undetectable
6huoD-3iu0A:
undetectable		 6huoC-3iu0A:
12.43
6huoD-3iu0A:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixe LIM AND SENESCENT
CELL
ANTIGEN-LIKE-CONTAIN
ING DOMAIN PROTEIN 2

(Homo sapiens) 		PF00412
(LIM) 		4 PHE B  45
VAL B  24
SER B  26
TYR B  31
 None
 1.13A 6huoC-3ixeB:
undetectable
6huoD-3ixeB:
undetectable		 6huoC-3ixeB:
18.07
6huoD-3ixeB:
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.
3lp5 PUTATIVE CELL
SURFACE HYDROLASE

(Lactobacillus
plantarum) 		PF06028
(DUF915) 		4 PHE A 201
VAL A 187
SER A 135
TYR A 137
 None
 1.13A 6huoC-3lp5A:
undetectable
6huoD-3lp5A:
undetectable		 6huoC-3lp5A:
18.55
6huoD-3lp5A:
19.21
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.
3p1t PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Burkholderia
pseudomallei) 		PF00155
(Aminotran_1_2) 		4 PHE A 195
PHE A  63
HIS A  62
SER A 198
 None
 1.02A 6huoC-3p1tA:
undetectable
6huoD-3p1tA:
undetectable		 6huoC-3p1tA:
11.31
6huoD-3p1tA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmi PWWP
DOMAIN-CONTAINING
PROTEIN MUM1

(Homo sapiens) 		no annotation 4 TYR A 513
PHE A 509
VAL A 521
SER A 518
 None
 1.04A 6huoC-3pmiA:
undetectable
6huoD-3pmiA:
undetectable		 6huoC-3pmiA:
19.12
6huoD-3pmiA:
23.21
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		4 ASN A 535
HIS A 323
VAL A 325
TYR A 324
 None
 1.16A 6huoC-3sggA:
undetectable
6huoD-3sggA:
undetectable		 6huoC-3sggA:
10.82
6huoD-3sggA:
9.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tql ARGININE-BINDING
PROTEIN

(Coxiella
burnetii) 		PF00497
(SBP_bac_3) 		4 PHE A 131
PHE A 167
VAL A 220
SER A 128
 None
None
None
ARG  A   1 ( 4.3A)
 1.25A 6huoC-3tqlA:
undetectable
6huoD-3tqlA:
undetectable		 6huoC-3tqlA:
16.83
6huoD-3tqlA:
18.05
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.
3w2x EXODEOXYRIBONUCLEASE

(Methanothermobacter
thermautotrophicus) 		PF03372
(Exo_endo_phos) 		4 PHE A 128
VAL A  71
SER A  69
TYR A 111
 None
 1.14A 6huoC-3w2xA:
undetectable
6huoD-3w2xA:
undetectable		 6huoC-3w2xA:
15.81
6huoD-3w2xA:
15.48
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		4 TYR A 124
ASN A 196
PHE A 228
SER A 127
 BMA  A 502 (-4.6A)
BMA  A 502 (-2.8A)
None
None
 1.24A 6huoC-3wkhA:
undetectable
6huoD-3wkhA:
undetectable		 6huoC-3wkhA:
10.68
6huoD-3wkhA:
13.28
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.
3zq3 OBP3 PROTEIN

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 PHE A 109
PHE A  73
VAL A 120
TYR A 139
 None
 1.12A 6huoC-3zq3A:
undetectable
6huoD-3zq3A:
undetectable		 6huoC-3zq3A:
20.81
6huoD-3zq3A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ASN A 138
HIS A 116
VAL A 149
TYR A 164
 None
 1.21A 6huoC-4bp8A:
undetectable
6huoD-4bp8A:
undetectable		 6huoC-4bp8A:
6.85
6huoD-4bp8A:
7.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dp0 PLASTOCYANIN B,
CHLOROPLASTIC

(Populus nigra) 		PF00127
(Copper-bind) 		4 TYR X  80
PHE X  41
PHE X  29
VAL X  21
 None
 1.02A 6huoC-4dp0X:
undetectable
6huoD-4dp0X:
undetectable		 6huoC-4dp0X:
23.23
6huoD-4dp0X:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 TYR A 335
PHE A 418
PHE A 312
VAL A 319
 None
 1.22A 6huoC-4dqvA:
undetectable
6huoD-4dqvA:
undetectable		 6huoC-4dqvA:
10.33
6huoD-4dqvA:
11.60
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 TYR A 130
PHE A  67
HIS A  58
VAL A  53
 None
 1.22A 6huoC-4e8dA:
undetectable
6huoD-4e8dA:
undetectable		 6huoC-4e8dA:
9.08
6huoD-4e8dA:
9.57
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.
4f3l BMAL1B

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		4 PHE B 377
PHE B 350
HIS B 344
SER B 418
 None
 1.22A 6huoC-4f3lB:
undetectable
6huoD-4f3lB:
undetectable		 6huoC-4f3lB:
11.17
6huoD-4f3lB:
11.35
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.
4fda 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		4 ASN A 142
VAL A 197
SER A 201
TYR A 198
 None
None
None
NAP  A 301 (-3.6A)
 1.13A 6huoC-4fdaA:
undetectable
6huoD-4fdaA:
undetectable		 6huoC-4fdaA:
14.29
6huoD-4fdaA:
18.14
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.
4jra SYNAPTIC VESICLE
GLYCOPROTEIN 2C

(Homo sapiens) 		PF13599
(Pentapeptide_4) 		4 PHE C 532
PHE C 522
SER C 515
TYR C 497
 None
 1.16A 6huoC-4jraC:
undetectable
6huoD-4jraC:
undetectable		 6huoC-4jraC:
20.90
6huoD-4jraC:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksa MALONYL-COA
DECARBOXYLASE

(Rhodopseudomonas
palustris) 		PF05292
(MCD)
PF17408
(MCD_N) 		4 TYR A 422
ASN A 392
PHE A 225
TYR A 223
 None
 1.20A 6huoC-4ksaA:
undetectable
6huoD-4ksaA:
undetectable		 6huoC-4ksaA:
10.18
6huoD-4ksaA:
11.35
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.
4ksa MALONYL-COA
DECARBOXYLASE

(Rhodopseudomonas
palustris) 		PF05292
(MCD)
PF17408
(MCD_N) 		4 TYR A 422
ASN A 392
VAL A 238
TYR A 223
 None
 1.10A 6huoC-4ksaA:
undetectable
6huoD-4ksaA:
undetectable		 6huoC-4ksaA:
10.18
6huoD-4ksaA:
11.35
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.
4ozt RETINOID X RECEPTOR

(Pediculus
humanus) 		PF00104
(Hormone_recep) 		4 PHE U 279
HIS U 266
VAL U 253
SER U 250
 None
 1.22A 6huoC-4oztU:
2.8
6huoD-4oztU:
3.1		 6huoC-4oztU:
17.39
6huoD-4oztU:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		4 PHE A  59
PHE A 358
VAL A 372
SER A  24
 None
 1.22A 6huoC-4pmuA:
undetectable
6huoD-4pmuA:
undetectable		 6huoC-4pmuA:
11.66
6huoD-4pmuA:
14.79
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
COXSACKIEVIRUS
CAPSID PROTEIN VP2

(Enterovirus C;
Enterovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 ASN 1 237
HIS 1 209
SER 2 214
TYR 1 129
 None
 1.17A 6huoC-4q4y1:
undetectable
6huoD-4q4y1:
undetectable		 6huoC-4q4y1:
14.09
6huoD-4q4y1:
12.13
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.
4u8u LINKER L2

(Glossoscolex
paulistus) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ASN N 116
PHE N 118
PHE N 204
VAL N 154
 None
 1.12A 6huoC-4u8uN:
2.9
6huoD-4u8uN:
2.6		 6huoC-4u8uN:
13.98
6huoD-4u8uN:
15.38
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ASN A 270
PHE A 453
VAL A 407
SER A 409
 None
 1.22A 6huoC-4w8jA:
3.1
6huoD-4w8jA:
3.7		 6huoC-4w8jA:
6.04
6huoD-4w8jA:
5.19
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.
4yd8 PROTEIN PTHB1

(Homo sapiens) 		PF14727
(PHTB1_N) 		4 PHE A 279
PHE A 268
VAL A 251
SER A 259
 None
 1.18A 6huoC-4yd8A:
undetectable
6huoD-4yd8A:
undetectable		 6huoC-4yd8A:
10.83
6huoD-4yd8A:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z1x LAGLIDADG
ENDONUCLEASE

(Fusarium
graminearum) 		PF00961
(LAGLIDADG_1) 		4 TYR A  73
PHE A  39
PHE A  88
HIS A  87
 None
 1.21A 6huoC-4z1xA:
undetectable
6huoD-4z1xA:
undetectable		 6huoC-4z1xA:
13.94
6huoD-4z1xA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		4 PHE A 621
PHE A 648
VAL A 716
SER A 644
 None
 1.14A 6huoC-5a42A:
3.3
6huoD-5a42A:
2.9		 6huoC-5a42A:
4.70
6huoD-5a42A:
4.59
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.
5b2g HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 ASN B 269
VAL B 297
SER B 265
TYR B 296
 None
 1.15A 6huoC-5b2gB:
undetectable
6huoD-5b2gB:
undetectable		 6huoC-5b2gB:
26.13
6huoD-5b2gB:
25.21
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 ASN A  77
PHE A 102
SER A  82
TYR A  83
 None
 1.12A 6huoC-5d9aA:
undetectable
6huoD-5d9aA:
undetectable		 6huoC-5d9aA:
9.24
6huoD-5d9aA:
6.91
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 ASN A 599
PHE A 583
VAL A1042
TYR A1057
 None
 1.12A 6huoC-5h42A:
2.5
6huoD-5h42A:
2.5		 6huoC-5h42A:
5.66
6huoD-5h42A:
5.90
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.
5h7v KUNITZ-TYPE PROTEASE
INHIBITOR 1

(Homo sapiens) 		PF00014
(Kunitz_BPTI)
PF00057
(Ldl_recept_a)
PF07502
(MANEC) 		4 PHE A 131
VAL A 145
SER A 148
TYR A 146
 None
 0.80A 6huoC-5h7vA:
undetectable
6huoD-5h7vA:
undetectable		 6huoC-5h7vA:
12.83
6huoD-5h7vA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 4 ASN B 270
PHE B 106
HIS B 380
TYR B 377
 None
 1.20A 6huoC-5i61B:
undetectable
6huoD-5i61B:
undetectable		 6huoC-5i61B:
10.36
6huoD-5i61B:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jlv SYNAPTIC VESICLE
GLYCOPROTEIN 2C

(Homo sapiens) 		PF13599
(Pentapeptide_4) 		4 PHE C 532
PHE C 522
SER C 515
TYR C 497
 None
 1.11A 6huoC-5jlvC:
undetectable
6huoD-5jlvC:
undetectable		 6huoC-5jlvC:
20.17
6huoD-5jlvC:
20.34
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.
5jmc SYNAPTIC VESICLE
GLYCOPROTEIN 2C

(Rattus
norvegicus) 		PF13599
(Pentapeptide_4) 		4 PHE B 532
PHE B 522
SER B 515
TYR B 497
 None
 1.05A 6huoC-5jmcB:
undetectable
6huoD-5jmcB:
undetectable		 6huoC-5jmcB:
20.80
6huoD-5jmcB:
19.84
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		4 TYR A 198
PHE A  17
VAL A  43
TYR A  44
 None
 1.17A 6huoC-5k7lA:
2.7
6huoD-5k7lA:
2.9		 6huoC-5k7lA:
8.73
6huoD-5k7lA:
6.87
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 ASN B 229
PHE B 105
VAL B 179
SER B 215
 None
 1.25A 6huoC-5m45B:
undetectable
6huoD-5m45B:
undetectable		 6huoC-5m45B:
7.92
6huoD-5m45B:
7.28
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.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 TYR A 227
PHE A 230
PHE A 480
VAL A 515
 None
 1.23A 6huoC-5mkfA:
4.5
6huoD-5mkfA:
3.8		 6huoC-5mkfA:
5.51
6huoD-5mkfA:
6.05
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.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		4 ASN A  40
PHE A 211
VAL A 220
TYR A 214
 None
 1.24A 6huoC-5o8oA:
undetectable
6huoD-5o8oA:
undetectable		 6huoC-5o8oA:
13.14
6huoD-5o8oA:
12.68
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 PHE A 649
VAL A 766
SER A 764
TYR A 765
 None
 1.12A 6huoC-5t8vA:
2.8
6huoD-5t8vA:
3.5		 6huoC-5t8vA:
4.19
6huoD-5t8vA:
5.09
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 4 TYR A  57
ASN A  85
PHE A  54
SER A 177
 None
 1.12A 6huoC-5tdxA:
undetectable
6huoD-5tdxA:
undetectable		 6huoC-5tdxA:
15.81
6huoD-5tdxA:
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 PHE A 534
PHE A 530
VAL A 606
TYR A 608
 None
 0.91A 6huoC-5u2gA:
undetectable
6huoD-5u2gA:
undetectable		 6huoC-5u2gA:
7.72
6huoD-5u2gA:
7.25
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 TYR A 568
PHE A 565
PHE A 589
SER A 465
 None
 1.05A 6huoC-5ujaA:
2.5
6huoD-5ujaA:
1.0		 6huoC-5ujaA:
4.08
6huoD-5ujaA:
4.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		4 PHE A 380
PHE A  18
HIS A 310
SER A 270
 None
 1.22A 6huoC-5vwsA:
2.7
6huoD-5vwsA:
undetectable		 6huoC-5vwsA:
11.05
6huoD-5vwsA:
12.09
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A  64
ASN A  65
PHE A  61
VAL A 203
 None
 1.24A 6huoC-5w70A:
undetectable
6huoD-5w70A:
undetectable		 6huoC-5w70A:
11.03
6huoD-5w70A:
11.19
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 4 TYR A  83
PHE A  88
VAL A  80
TYR A  91
 ADP  A 601 (-3.4A)
ADP  A 601 (-3.6A)
None
None
 1.12A 6huoC-5yv5A:
undetectable
6huoD-5yv5A:
undetectable		 6huoC-5yv5A:
undetectable
6huoD-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfz SPC19
SPC34

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 PHE I  71
HIS J 117
VAL J 152
TYR J 153
 None
 0.97A 6huoC-6cfzI:
undetectable
6huoD-6cfzI:
undetectable		 6huoC-6cfzI:
18.95
6huoD-6cfzI:
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 4 TYR A 834
PHE A 734
VAL A 718
SER A 839
 None
 1.23A 6huoC-6co7A:
3.4
6huoD-6co7A:
3.1		 6huoC-6co7A:
20.00
6huoD-6co7A:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 PHE B 100
HIS B 102
VAL B 203
SER B 205
TYR B 210
 None
 0.69A 6huoC-6d6uB:
33.4
6huoD-6d6uB:
35.1		 6huoC-6d6uB:
20.22
6huoD-6d6uB:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 4 ASN A 781
PHE A 785
VAL A 868
TYR A 872
 None
 1.18A 6huoC-6d6yA:
3.3
6huoD-6d6yA:
undetectable		 6huoC-6d6yA:
23.16
6huoD-6d6yA:
19.35
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.
6dw1


(;
) 		no annotation
no annotation 		8 TYR D  58
ASN D  60
PHE D  77
PHE C  99
HIS C 101
VAL C 202
SER C 204
TYR C 209
 None
 0.61A 6huoC-6dw1D:
29.7
6huoD-6dw1D:
29.0		 6huoC-6dw1D:
undetectable
6huoD-6dw1D:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6es1 SYNAPTIC VESICLE
GLYCOPROTEIN 2C

(Homo sapiens) 		no annotation 4 PHE B 532
PHE B 522
SER B 515
TYR B 497
 None
 1.11A 6huoC-6es1B:
undetectable
6huoD-6es1B:
undetectable		 6huoC-6es1B:
16.28
6huoD-6es1B:
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 4 ASN A 104
PHE A  74
VAL A  38
SER A  36
 FMN  A 500 (-3.0A)
None
FMN  A 500 (-4.8A)
None
 1.21A 6huoC-6gbvA:
undetectable
6huoD-6gbvA:
undetectable		 6huoC-6gbvA:
undetectable
6huoD-6gbvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7pcy PLASTOCYANIN

(Ulva prolifera) 		PF00127
(Copper-bind) 		4 TYR A  80
PHE A  41
PHE A  29
VAL A  21
 None
 0.97A 6huoC-7pcyA:
undetectable
6huoD-7pcyA:
undetectable		 6huoC-7pcyA:
20.62
6huoD-7pcyA:
21.78
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.
9pcy PLASTOCYANIN

(Phaseolus
vulgaris) 		PF00127
(Copper-bind) 		4 TYR A  80
PHE A  41
PHE A  29
VAL A  21
 None
 0.90A 6huoC-9pcyA:
undetectable
6huoD-9pcyA:
undetectable		 6huoC-9pcyA:
24.42
6huoD-9pcyA:
20.59