SIMILAR PATTERNS OF AMINO ACIDS FOR 6AUX_A_H4BA802

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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A   2
VAL A  87
TRP A  66
GLU A  76
 None
 1.48A 6auxA-1fhuA:
0.0
6auxB-1fhuA:
0.0		 6auxA-1fhuA:
13.02
6auxB-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
 1.16A 6auxA-1flgA:
0.0
6auxB-1flgA:
0.0		 6auxA-1flgA:
9.98
6auxB-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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		4 MET C 291
VAL C 216
PHE C 360
GLU C 353
 None
 1.41A 6auxA-1h2tC:
0.0
6auxB-1h2tC:
0.0		 6auxA-1h2tC:
8.20
6auxB-1h2tC:
8.20
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.44A 6auxA-1kexA:
0.0
6auxB-1kexA:
0.0		 6auxA-1kexA:
19.75
6auxB-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
 1.30A 6auxA-1kh2A:
0.0
6auxB-1kh2A:
0.1		 6auxA-1kh2A:
10.75
6auxB-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
 1.36A 6auxA-1l5jA:
0.0
6auxB-1l5jA:
0.0		 6auxA-1l5jA:
6.89
6auxB-1l5jA:
6.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 MET A 336
ARG A 596
VAL A 677
TRP A 678
 H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.39A 6auxA-1lzxA:
63.4
6auxB-1lzxA:
62.6		 6auxA-1lzxA:
100.00
6auxB-1lzxA:
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.46A 6auxA-1mhzD:
0.0
6auxB-1mhzD:
0.0		 6auxA-1mhzD:
9.02
6auxB-1mhzD:
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 0.98A 6auxA-1mzbA:
0.2
6auxB-1mzbA:
0.2		 6auxA-1mzbA:
17.99
6auxB-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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 MET A 440
VAL A 401
TRP A 435
PHE A 432
 None
 0.87A 6auxA-1pduA:
undetectable
6auxB-1pduA:
undetectable		 6auxA-1pduA:
15.70
6auxB-1pduA:
15.70
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		4 MET A 249
VAL A 267
PHE A 206
GLU A 201
 None
 1.29A 6auxA-1qb4A:
undetectable
6auxB-1qb4A:
3.8		 6auxA-1qb4A:
6.16
6auxB-1qb4A:
6.16
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.46A 6auxA-1t1jA:
undetectable
6auxB-1t1jA:
undetectable		 6auxA-1t1jA:
19.66
6auxB-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
 1.50A 6auxA-1tkiA:
undetectable
6auxB-1tkiA:
undetectable		 6auxA-1tkiA:
13.06
6auxB-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
 1.41A 6auxA-1vmkA:
undetectable
6auxB-1vmkA:
undetectable		 6auxA-1vmkA:
13.55
6auxB-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.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 MET A  17
VAL A  35
PHE A  26
GLU A  21
 None
 1.20A 6auxA-1wf0A:
undetectable
6auxB-1wf0A:
undetectable		 6auxA-1wf0A:
20.83
6auxB-1wf0A:
20.83
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.
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
 1.14A 6auxA-1wqlB:
undetectable
6auxB-1wqlB:
undetectable		 6auxA-1wqlB:
15.59
6auxB-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
 1.08A 6auxA-2b39A:
undetectable
6auxB-2b39A:
undetectable		 6auxA-2b39A:
4.04
6auxB-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
 1.49A 6auxA-2b4xI:
undetectable
6auxB-2b4xI:
undetectable		 6auxA-2b4xI:
12.06
6auxB-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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ARG A 194
VAL A 254
PHE A 252
GLU A 106
 None
None
None
MG  A1001 ( 3.1A)
 1.48A 6auxA-2eb5A:
undetectable
6auxB-2eb5A:
undetectable		 6auxA-2eb5A:
13.55
6auxB-2eb5A:
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.
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
 1.36A 6auxA-2fjaA:
undetectable
6auxB-2fjaA:
undetectable		 6auxA-2fjaA:
10.61
6auxB-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.
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
 1.33A 6auxA-2i9uA:
undetectable
6auxB-2i9uA:
undetectable		 6auxA-2i9uA:
10.67
6auxB-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.
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)
 1.43A 6auxA-2vy0A:
undetectable
6auxB-2vy0A:
undetectable		 6auxA-2vy0A:
15.73
6auxB-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
 1.43A 6auxA-2w4oA:
undetectable
6auxB-2w4oA:
undetectable		 6auxA-2w4oA:
15.73
6auxB-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
 1.33A 6auxA-2xvgA:
undetectable
6auxB-2xvgA:
undetectable		 6auxA-2xvgA:
6.04
6auxB-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
 1.34A 6auxA-2ywbA:
undetectable
6auxB-2ywbA:
undetectable		 6auxA-2ywbA:
9.44
6auxB-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
 1.45A 6auxA-2z11A:
undetectable
6auxB-2z11A:
undetectable		 6auxA-2z11A:
18.78
6auxB-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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.23A 6auxA-2zf8A:
undetectable
6auxB-2zf8A:
undetectable		 6auxA-2zf8A:
13.57
6auxB-2zf8A:
13.57
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.
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)
 1.37A 6auxA-3b7fA:
undetectable
6auxB-3b7fA:
undetectable		 6auxA-3b7fA:
11.89
6auxB-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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 0.96A 6auxA-3d2wA:
undetectable
6auxB-3d2wA:
undetectable		 6auxA-3d2wA:
17.98
6auxB-3d2wA:
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.47A 6auxA-3ddlA:
undetectable
6auxB-3ddlA:
undetectable		 6auxA-3ddlA:
11.72
6auxB-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 260
TRP A 248
PHE A 243
GLU A 245
 None
 1.33A 6auxA-3f3zA:
undetectable
6auxB-3f3zA:
undetectable		 6auxA-3f3zA:
14.62
6auxB-3f3zA:
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 ARG A  27
VAL A  56
PHE A  67
GLU A  65
 None
 1.49A 6auxA-3gs3A:
undetectable
6auxB-3gs3A:
undetectable		 6auxA-3gs3A:
16.24
6auxB-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
 1.31A 6auxA-3gyxA:
undetectable
6auxB-3gyxA:
undetectable		 6auxA-3gyxA:
7.53
6auxB-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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 MET A  20
ARG A 118
TRP A  51
PHE A  34
 1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
1PE  A 131 (-4.5A)
 1.38A 6auxA-3hzpA:
undetectable
6auxB-3hzpA:
undetectable		 6auxA-3hzpA:
17.69
6auxB-3hzpA:
17.69
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 215
VAL A 363
TRP A 275
GLU A 274
 2PE  A   4 ( 4.6A)
None
None
None
 1.42A 6auxA-3lewA:
undetectable
6auxB-3lewA:
undetectable		 6auxA-3lewA:
9.81
6auxB-3lewA:
9.81
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.42A 6auxA-3ma6A:
undetectable
6auxB-3ma6A:
undetectable		 6auxA-3ma6A:
14.65
6auxB-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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 ARG A 944
TRP A1001
PHE A 946
GLU A 908
 None
 1.47A 6auxA-3n3kA:
undetectable
6auxB-3n3kA:
undetectable		 6auxA-3n3kA:
10.53
6auxB-3n3kA:
10.53
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.25A 6auxA-3owcA:
undetectable
6auxB-3owcA:
undetectable		 6auxA-3owcA:
15.47
6auxB-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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.34A 6auxA-3q63A:
undetectable
6auxB-3q63A:
undetectable		 6auxA-3q63A:
19.26
6auxB-3q63A:
19.26
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.
3rjl 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Bacillus
licheniformis) 		PF00171
(Aldedh) 		4 ARG A 459
VAL A 295
PHE A 431
GLU A 433
 None
None
None
CD  A 542 (-2.3A)
 1.43A 6auxA-3rjlA:
undetectable
6auxB-3rjlA:
undetectable		 6auxA-3rjlA:
10.66
6auxB-3rjlA:
10.66
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.29A 6auxA-3rjyA:
undetectable
6auxB-3rjyA:
undetectable		 6auxA-3rjyA:
14.43
6auxB-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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.45A 6auxA-3sxfA:
undetectable
6auxB-3sxfA:
undetectable		 6auxA-3sxfA:
9.13
6auxB-3sxfA:
9.13
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.39A 6auxA-3ti8A:
undetectable
6auxB-3ti8A:
undetectable		 6auxA-3ti8A:
10.89
6auxB-3ti8A:
10.89
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.
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
 1.26A 6auxA-3tquA:
undetectable
6auxB-3tquA:
undetectable		 6auxA-3tquA:
14.63
6auxB-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)
 1.33A 6auxA-3uxmA:
undetectable
6auxB-3uxmA:
undetectable		 6auxA-3uxmA:
16.11
6auxB-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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2274
TRP C2314
PHE C2329
GLU C2310
 None
 1.35A 6auxA-4bgdC:
undetectable
6auxB-4bgdC:
undetectable		 6auxA-4bgdC:
14.35
6auxB-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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 ARG A1065
VAL A1046
PHE A1118
GLU A1032
 None
 1.37A 6auxA-4d8oA:
undetectable
6auxB-4d8oA:
undetectable		 6auxA-4d8oA:
8.30
6auxB-4d8oA:
8.30
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.
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
 1.48A 6auxA-4fnqA:
undetectable
6auxB-4fnqA:
undetectable		 6auxA-4fnqA:
7.85
6auxB-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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 MET A 258
VAL A 265
TRP A  62
PHE A  85
 None
 1.34A 6auxA-4g76A:
undetectable
6auxB-4g76A:
undetectable		 6auxA-4g76A:
11.72
6auxB-4g76A:
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.
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
 1.02A 6auxA-4l37B:
undetectable
6auxB-4l37B:
undetectable		 6auxA-4l37B:
7.86
6auxB-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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.16A 6auxA-4mlnA:
undetectable
6auxB-4mlnA:
undetectable		 6auxA-4mlnA:
15.43
6auxB-4mlnA:
15.43
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.23A 6auxA-4n6wA:
undetectable
6auxB-4n6wA:
undetectable		 6auxA-4n6wA:
13.72
6auxB-4n6wA:
13.72
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.33A 6auxA-4pneA:
undetectable
6auxB-4pneA:
undetectable		 6auxA-4pneA:
15.11
6auxB-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
 1.20A 6auxA-4xj5A:
undetectable
6auxB-4xj5A:
undetectable		 6auxA-4xj5A:
12.08
6auxB-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
 1.13A 6auxA-4xj6A:
undetectable
6auxB-4xj6A:
undetectable		 6auxA-4xj6A:
10.81
6auxB-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
 1.13A 6auxA-4xj6A:
undetectable
6auxB-4xj6A:
undetectable		 6auxA-4xj6A:
10.81
6auxB-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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.44A 6auxA-4ylrA:
undetectable
6auxB-4ylrA:
undetectable		 6auxA-4ylrA:
13.14
6auxB-4ylrA:
13.14
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.
4zva DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 MET A   8
VAL A  84
TRP A  12
GLU A  11
 None
 1.35A 6auxA-4zvaA:
undetectable
6auxB-4zvaA:
undetectable		 6auxA-4zvaA:
21.88
6auxB-4zvaA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.39A 6auxA-5by3A:
undetectable
6auxB-5by3A:
undetectable		 6auxA-5by3A:
6.96
6auxB-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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 ARG A 316
VAL A 438
TRP A 439
GLU A 418
 BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
None
 1.28A 6auxA-5fjnA:
undetectable
6auxB-5fjnA:
undetectable		 6auxA-5fjnA:
10.96
6auxB-5fjnA:
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.
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
 1.36A 6auxA-5kn8A:
undetectable
6auxB-5kn8A:
undetectable		 6auxA-5kn8A:
15.52
6auxB-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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.41A 6auxA-5m7rA:
undetectable
6auxB-5m7rA:
0.0		 6auxA-5m7rA:
6.22
6auxB-5m7rA:
6.22
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.
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
 1.08A 6auxA-5m8tA:
undetectable
6auxB-5m8tA:
undetectable		 6auxA-5m8tA:
11.81
6auxB-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.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		4 MET A 112
ARG A 155
VAL A 104
PHE A 159
 None
 1.42A 6auxA-5wq3A:
undetectable
6auxB-5wq3A:
undetectable		 6auxA-5wq3A:
15.08
6auxB-5wq3A:
15.08
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 MET A 249
VAL A 231
PHE A 258
GLU A 253
 None
 1.05A 6auxA-5x89A:
undetectable
6auxB-5x89A:
undetectable		 6auxA-5x89A:
20.21
6auxB-5x89A:
20.21
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.
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
 1.33A 6auxA-5xctA:
undetectable
6auxB-5xctA:
undetectable		 6auxA-5xctA:
17.07
6auxB-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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 MET H 105
VAL D  98
TRP D  91
TRP H  49
 None
 1.10A 6auxA-5xwdH:
undetectable
6auxB-5xwdH:
undetectable		 6auxA-5xwdH:
21.11
6auxB-5xwdH:
21.11
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.
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
 1.26A 6auxA-6bk1A:
undetectable
6auxB-6bk1A:
undetectable		 6auxA-6bk1A:
16.87
6auxB-6bk1A:
16.87