SIMILAR PATTERNS OF AMINO ACIDS FOR 6AUQ_A_H4BA802_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 VAL A 667
TRP A 673
PHE A 681
GLU A 649
 None
 1.27A 6auqA-1c4kA:
0.0
6auqB-1c4kA:
0.0		 6auqA-1c4kA:
7.39
6auqB-1c4kA:
7.39
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.
1cyo CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 ARG A  68
VAL A  61
PHE A  58
GLU A  56
 None
None
HEM  A 201 (-4.8A)
None
 1.38A 6auqA-1cyoA:
0.0
6auqB-1cyoA:
0.0		 6auqA-1cyoA:
22.45
6auqB-1cyoA:
22.45
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.50A 6auqA-1dvkA:
1.7
6auqB-1dvkA:
1.5		 6auqA-1dvkA:
18.50
6auqB-1dvkA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A   2
VAL A  87
TRP A  66
GLU A  76
 None
 1.47A 6auqA-1fhuA:
0.0
6auqB-1fhuA:
0.6		 6auqA-1fhuA:
13.02
6auqB-1fhuA:
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 VAL A  41
TRP A 521
PHE A 501
GLU A 519
 None
 1.10A 6auqA-1flgA:
0.0
6auqB-1flgA:
0.0		 6auqA-1flgA:
9.98
6auqB-1flgA:
9.98
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.47A 6auqA-1kexA:
undetectable
6auqB-1kexA:
0.0		 6auqA-1kexA:
19.75
6auqB-1kexA:
19.75
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 ARG A 282
VAL A 226
PHE A 220
GLU A 222
 None
 1.35A 6auqA-1kh2A:
0.1
6auqB-1kh2A:
0.1		 6auqA-1kh2A:
10.75
6auqB-1kh2A:
10.75
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.
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
 1.32A 6auqA-1l5jA:
0.0
6auqB-1l5jA:
0.0		 6auqA-1l5jA:
6.89
6auqB-1l5jA:
6.89
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.06A 6auqA-1mzbA:
0.3
6auqB-1mzbA:
0.5		 6auqA-1mzbA:
17.99
6auqB-1mzbA:
17.99
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.42A 6auqA-1t1jA:
undetectable
6auqB-1t1jA:
undetectable		 6auqA-1t1jA:
19.66
6auqB-1t1jA:
19.66
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 122
TRP A 277
PHE A 254
GLU A 250
 None
 1.48A 6auqA-1tkiA:
undetectable
6auqB-1tkiA:
undetectable		 6auqA-1tkiA:
13.06
6auqB-1tkiA:
13.06
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.43A 6auqA-1vmkA:
undetectable
6auqB-1vmkA:
undetectable		 6auqA-1vmkA:
13.55
6auqB-1vmkA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ARG A  65
VAL A 791
TRP A 806
GLU A 807
 None
 1.50A 6auqA-1wkbA:
undetectable
6auqB-1wkbA:
undetectable		 6auqA-1wkbA:
7.20
6auqB-1wkbA:
7.20
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 156
VAL B 128
PHE B 163
GLU B  26
 None
 1.16A 6auqA-1wqlB:
undetectable
6auqB-1wqlB:
undetectable		 6auqA-1wqlB:
15.59
6auqB-1wqlB:
15.59
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ARG A 708
VAL A1424
PHE A 722
GLU A 693
 None
 1.11A 6auqA-2b39A:
undetectable
6auqB-2b39A:
undetectable		 6auqA-2b39A:
4.04
6auqB-2b39A:
4.04
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL I 375
TRP I 225
PHE I 274
GLU I 378
 None
 1.46A 6auqA-2b4xI:
undetectable
6auqB-2b4xI:
undetectable		 6auqA-2b4xI:
12.06
6auqB-2b4xI:
12.06
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 586
VAL A 578
TRP A 579
GLU A 555
 None
 1.20A 6auqA-2fjaA:
undetectable
6auqB-2fjaA:
undetectable		 6auqA-2fjaA:
10.61
6auqB-2fjaA:
10.61
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ARG A  62
VAL A 367
TRP B 788
GLU A 360
 None
 1.34A 6auqA-2fjaA:
undetectable
6auqB-2fjaA:
undetectable		 6auqA-2fjaA:
10.61
6auqB-2fjaA:
10.61
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.
2hqv AGR_C_4470P

(Agrobacterium
fabrum) 		PF06228
(ChuX_HutX) 		4 ARG A 182
VAL A 147
PHE A 178
GLU A  78
 None
 1.47A 6auqA-2hqvA:
undetectable
6auqB-2hqvA:
undetectable		 6auqA-2hqvA:
13.85
6auqB-2hqvA:
13.85
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 ARG A 202
TRP A  93
PHE A  99
GLU A 101
 GUN  A 503 (-3.7A)
None
None
None
 1.27A 6auqA-2i9uA:
0.4
6auqB-2i9uA:
1.0		 6auqA-2i9uA:
10.67
6auqB-2i9uA:
10.67
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.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 VAL A 127
TRP A 129
PHE A  97
GLU A 116
 None
 1.24A 6auqA-2rikA:
undetectable
6auqB-2rikA:
undetectable		 6auqA-2rikA:
16.20
6auqB-2rikA:
16.20
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.47A 6auqA-2vy0A:
undetectable
6auqB-2vy0A:
undetectable		 6auqA-2vy0A:
15.73
6auqB-2vy0A:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 278
VAL A 269
TRP A 266
PHE A 261
 None
 1.47A 6auqA-2w4oA:
undetectable
6auqB-2w4oA:
undetectable		 6auqA-2w4oA:
15.73
6auqB-2w4oA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ARG A 697
VAL A 717
PHE A 698
GLU A 722
 None
 1.35A 6auqA-2xvgA:
undetectable
6auqB-2xvgA:
undetectable		 6auqA-2xvgA:
6.04
6auqB-2xvgA:
6.04
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 ARG A 211
VAL A 239
PHE A 309
GLU A 305
 None
 1.41A 6auqA-2ywbA:
undetectable
6auqB-2ywbA:
undetectable		 6auqA-2ywbA:
9.44
6auqB-2ywbA:
9.44
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.41A 6auqA-2z11A:
undetectable
6auqB-2z11A:
undetectable		 6auqA-2z11A:
18.78
6auqB-2z11A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.43A 6auqA-3b7fA:
undetectable
6auqB-3b7fA:
undetectable		 6auqA-3b7fA:
11.89
6auqB-3b7fA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.46A 6auqA-3ddlA:
undetectable
6auqB-3ddlA:
undetectable		 6auqA-3ddlA:
11.72
6auqB-3ddlA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 ARG A  27
VAL A  56
PHE A  67
GLU A  65
 None
 1.45A 6auqA-3gs3A:
undetectable
6auqB-3gs3A:
undetectable		 6auqA-3gs3A:
16.24
6auqB-3gs3A:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ARG A  66
VAL A 387
TRP B  88
GLU A 380
 None
 1.28A 6auqA-3gyxA:
undetectable
6auqB-3gyxA:
undetectable		 6auqA-3gyxA:
7.53
6auqB-3gyxA:
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.44A 6auqA-3ma6A:
undetectable
6auqB-3ma6A:
undetectable		 6auqA-3ma6A:
14.65
6auqB-3ma6A:
14.65
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.
3ojd FAB V2D2

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B  37
TRP B  47
PHE B  69
GLU B  95
 None
 1.38A 6auqA-3ojdB:
undetectable
6auqB-3ojdB:
undetectable		 6auqA-3ojdB:
16.43
6auqB-3ojdB:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.22A 6auqA-3owcA:
undetectable
6auqB-3owcA:
undetectable		 6auqA-3owcA:
15.47
6auqB-3owcA:
15.47
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.28A 6auqA-3rjyA:
undetectable
6auqB-3rjyA:
undetectable		 6auqA-3rjyA:
14.43
6auqB-3rjyA:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.25A 6auqA-3tquA:
undetectable
6auqB-3tquA:
undetectable		 6auqA-3tquA:
14.63
6auqB-3tquA:
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		4 ARG A 109
VAL A 166
PHE A 162
GLU A 156
 None
None
None
MG  A 213 (-3.2A)
 1.32A 6auqA-3uxmA:
undetectable
6auqB-3uxmA:
undetectable		 6auqA-3uxmA:
16.11
6auqB-3uxmA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ARG A 388
VAL A 385
PHE A 311
GLU A 267
 None
 1.46A 6auqA-3wa1A:
undetectable
6auqB-3wa1A:
undetectable		 6auqA-3wa1A:
12.61
6auqB-3wa1A:
12.61
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2274
TRP C2314
PHE C2329
GLU C2310
 None
 1.34A 6auqA-4bgdC:
undetectable
6auqB-4bgdC:
undetectable		 6auqA-4bgdC:
14.35
6auqB-4bgdC:
14.35
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ARG A 373
VAL A 412
TRP A 383
PHE A 370
 None
 1.50A 6auqA-4fnqA:
undetectable
6auqB-4fnqA:
undetectable		 6auqA-4fnqA:
7.85
6auqB-4fnqA:
7.85
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 0.95A 6auqA-4l37B:
undetectable
6auqB-4l37B:
undetectable		 6auqA-4l37B:
7.86
6auqB-4l37B:
7.86
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.40A 6auqA-4mh1A:
undetectable
6auqB-4mh1A:
undetectable		 6auqA-4mh1A:
11.17
6auqB-4mh1A:
11.17
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.38A 6auqA-4pneA:
undetectable
6auqB-4pneA:
undetectable		 6auqA-4pneA:
15.11
6auqB-4pneA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 ARG A 280
VAL A 309
TRP A 267
PHE A 268
 None
 1.11A 6auqA-4xj5A:
undetectable
6auqB-4xj5A:
undetectable		 6auqA-4xj5A:
12.08
6auqB-4xj5A:
12.08
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.07A 6auqA-4xj6A:
1.7
6auqB-4xj6A:
undetectable		 6auqA-4xj6A:
10.81
6auqB-4xj6A:
10.81
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.10A 6auqA-4xj6A:
1.7
6auqB-4xj6A:
undetectable		 6auqA-4xj6A:
10.81
6auqB-4xj6A:
10.81
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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		4 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6auqA-5bs1A:
undetectable
6auqB-5bs1A:
undetectable		 6auqA-5bs1A:
18.18
6auqB-5bs1A:
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 ARG A 505
VAL A 736
TRP A 732
GLU A 731
 None
 1.35A 6auqA-5by3A:
undetectable
6auqB-5by3A:
undetectable		 6auqA-5by3A:
6.96
6auqB-5by3A:
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.46A 6auqA-5c6gB:
undetectable
6auqB-5c6gB:
undetectable		 6auqA-5c6gB:
12.39
6auqB-5c6gB:
12.39
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.
5d8i SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin) 		4 ARG A 125
VAL A  53
PHE A  68
GLU A 115
 None
 1.26A 6auqA-5d8iA:
undetectable
6auqB-5d8iA:
undetectable		 6auqA-5d8iA:
14.58
6auqB-5d8iA:
14.58
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.31A 6auqA-5kn8A:
undetectable
6auqB-5kn8A:
undetectable		 6auqA-5kn8A:
15.52
6auqB-5kn8A:
15.52
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.
5lx9 SINGLE-CHAIN
VARIABLE FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		4 VAL H  37
TRP H  47
PHE H  70
GLU H  99
 None
 1.40A 6auqA-5lx9H:
undetectable
6auqB-5lx9H:
undetectable		 6auqA-5lx9H:
15.29
6auqB-5lx9H:
15.29
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.07A 6auqA-5m8tA:
undetectable
6auqB-5m8tA:
undetectable		 6auqA-5m8tA:
11.81
6auqB-5m8tA:
11.81
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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 VAL A  37
TRP A  47
PHE A  69
GLU A  95
 None
 1.32A 6auqA-5xctA:
undetectable
6auqB-5xctA:
undetectable		 6auqA-5xctA:
17.07
6auqB-5xctA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 ARG A 129
VAL A  65
PHE A 113
GLU A 106
 None
 1.25A 6auqA-5xf7A:
undetectable
6auqB-5xf7A:
undetectable		 6auqA-5xf7A:
18.82
6auqB-5xf7A:
18.82
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 ARG A 331
VAL A 317
TRP A 316
GLU A 322
 None
UDP  A 501 ( 4.8A)
None
None
 1.30A 6auqA-6bk1A:
undetectable
6auqB-6bk1A:
undetectable		 6auqA-6bk1A:
16.87
6auqB-6bk1A:
16.87