SIMILAR PATTERNS OF AMINO ACIDS FOR 6AUU_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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A   2
VAL A  87
TRP A  66
GLU A  76
 None
 1.49A 6auuA-1fhuA:
0.8
6auuB-1fhuA:
0.0		 6auuA-1fhuA:
13.02
6auuB-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
 1.21A 6auuA-1flgA:
undetectable
6auuB-1flgA:
undetectable		 6auuA-1flgA:
9.98
6auuB-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
 1.44A 6auuA-1kexA:
undetectable
6auuB-1kexA:
undetectable		 6auuA-1kexA:
19.75
6auuB-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
 1.32A 6auuA-1kh2A:
0.3
6auuB-1kh2A:
0.0		 6auuA-1kh2A:
10.75
6auuB-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
 1.35A 6auuA-1l5jA:
0.0
6auuB-1l5jA:
0.0		 6auuA-1l5jA:
6.89
6auuB-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 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.15A 6auuA-1lzxA:
63.0
6auuB-1lzxA:
62.5		 6auuA-1lzxA:
100.00
6auuB-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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.14A 6auuA-1m9qA:
59.2
6auuB-1m9qA:
59.3		 6auuA-1m9qA:
10.29
6auuB-1m9qA:
10.29
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.41A 6auuA-1mhzD:
0.0
6auuB-1mhzD:
0.0		 6auuA-1mhzD:
9.02
6auuB-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
 1.01A 6auuA-1mzbA:
0.9
6auuB-1mzbA:
0.0		 6auuA-1mzbA:
17.99
6auuB-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.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.22A 6auuA-1qw5A:
58.1
6auuB-1qw5A:
58.1		 6auuA-1qw5A:
11.31
6auuB-1qw5A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 VAL A  20
TRP A  52
PHE A  73
GLU A  50
 None
 1.40A 6auuA-1rfeA:
undetectable
6auuB-1rfeA:
undetectable		 6auuA-1rfeA:
20.48
6auuB-1rfeA:
20.48
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.47A 6auuA-1t1jA:
undetectable
6auuB-1t1jA:
undetectable		 6auuA-1t1jA:
19.66
6auuB-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.
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 6auuA-1vmkA:
undetectable
6auuB-1vmkA:
undetectable		 6auuA-1vmkA:
13.55
6auuB-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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.15A 6auuA-1w8gA:
undetectable
6auuB-1w8gA:
undetectable		 6auuA-1w8gA:
17.84
6auuB-1w8gA:
17.84
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.
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 6auuA-1wqlB:
undetectable
6auuB-1wqlB:
undetectable		 6auuA-1wqlB:
15.59
6auuB-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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 235
TRP A 169
TRP A 237
GLU A 236
 None
None
None
CA  A1004 (-3.6A)
 1.11A 6auuA-1y4jA:
undetectable
6auuB-1y4jA:
undetectable		 6auuA-1y4jA:
17.78
6auuB-1y4jA:
17.78
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.
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 6auuA-2b39A:
2.5
6auuB-2b39A:
undetectable		 6auuA-2b39A:
4.04
6auuB-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 6auuA-2b4xI:
undetectable
6auuB-2b4xI:
undetectable		 6auuA-2b4xI:
12.06
6auuB-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
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
 1.35A 6auuA-2fjaA:
undetectable
6auuB-2fjaA:
undetectable		 6auuA-2fjaA:
10.61
6auuB-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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP X 299
TRP X 231
TRP X 301
GLU X 300
 BR  X1001 ( 4.4A)
None
None
CA  X1016 (-3.3A)
 1.26A 6auuA-2hi8X:
undetectable
6auuB-2hi8X:
undetectable		 6auuA-2hi8X:
13.48
6auuB-2hi8X:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 VAL A 366
TRP A  37
PHE A  26
GLU A  43
 None
 1.44A 6auuA-2pb0A:
undetectable
6auuB-2pb0A:
undetectable		 6auuA-2pb0A:
10.48
6auuB-2pb0A:
10.48
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 TRP A1193
TRP A1591
PHE A1214
GLU A1026
 None
 1.35A 6auuA-2pffA:
undetectable
6auuB-2pffA:
undetectable		 6auuA-2pffA:
4.12
6auuB-2pffA:
4.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6auuA-2vy0A:
undetectable
6auuB-2vy0A:
undetectable		 6auuA-2vy0A:
15.73
6auuB-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 6auuA-2w4oA:
undetectable
6auuB-2w4oA:
undetectable		 6auuA-2w4oA:
15.73
6auuB-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 6auuA-2xvgA:
undetectable
6auuB-2xvgA:
undetectable		 6auuA-2xvgA:
6.04
6auuB-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
 1.35A 6auuA-2ywbA:
undetectable
6auuB-2ywbA:
undetectable		 6auuA-2ywbA:
9.44
6auuB-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
 1.43A 6auuA-2z11A:
undetectable
6auuB-2z11A:
undetectable		 6auuA-2z11A:
18.78
6auuB-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.
3anw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
kodakarensis) 		PF05916
(Sld5) 		4 VAL B  10
TRP B  30
PHE B  80
GLU B  28
 None
 1.20A 6auuA-3anwB:
undetectable
6auuB-3anwB:
undetectable		 6auuA-3anwB:
18.97
6auuB-3anwB:
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.
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)
 1.39A 6auuA-3b7fA:
undetectable
6auuB-3b7fA:
undetectable		 6auuA-3b7fA:
11.89
6auuB-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
 1.49A 6auuA-3ddlA:
2.0
6auuB-3ddlA:
undetectable		 6auuA-3ddlA:
11.72
6auuB-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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		4 VAL A 483
TRP A 349
PHE A 352
GLU A 350
 None
 1.45A 6auuA-3djaA:
3.4
6auuB-3djaA:
undetectable		 6auuA-3djaA:
8.75
6auuB-3djaA:
8.75
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.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.15A 6auuA-3e7gA:
57.3
6auuB-3e7gA:
57.4		 6auuA-3e7gA:
10.58
6auuB-3e7gA:
10.58
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.
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
 1.32A 6auuA-3f3zA:
undetectable
6auuB-3f3zA:
undetectable		 6auuA-3f3zA:
14.62
6auuB-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 6auuA-3gs3A:
undetectable
6auuB-3gs3A:
undetectable		 6auuA-3gs3A:
16.24
6auuB-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
 1.29A 6auuA-3gyxA:
2.4
6auuB-3gyxA:
undetectable		 6auuA-3gyxA:
7.53
6auuB-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
 1.43A 6auuA-3ma6A:
undetectable
6auuB-3ma6A:
undetectable		 6auuA-3ma6A:
14.65
6auuB-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.
3mux PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE

(Bacillus
anthracis) 		PF07071
(KDGP_aldolase) 		4 ARG A 104
VAL A 153
TRP A 113
GLU A 190
 None
 1.35A 6auuA-3muxA:
undetectable
6auuB-3muxA:
undetectable		 6auuA-3muxA:
16.33
6auuB-3muxA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 ARG A 944
TRP A1001
PHE A 946
GLU A 908
 None
 1.48A 6auuA-3n3kA:
undetectable
6auuB-3n3kA:
undetectable		 6auuA-3n3kA:
10.53
6auuB-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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ARG A  64
VAL A 132
PHE A  75
GLU A  83
 TS5  A 620 (-2.3A)
None
None
None
 1.18A 6auuA-3o98A:
undetectable
6auuB-3o98A:
undetectable		 6auuA-3o98A:
7.11
6auuB-3o98A:
7.11
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.23A 6auuA-3owcA:
undetectable
6auuB-3owcA:
undetectable		 6auuA-3owcA:
15.47
6auuB-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 6auuA-3rjyA:
1.5
6auuB-3rjyA:
undetectable		 6auuA-3rjyA:
14.43
6auuB-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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		4 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.08A 6auuA-3rq0A:
undetectable
6auuB-3rq0A:
undetectable		 6auuA-3rq0A:
15.44
6auuB-3rq0A:
15.44
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.
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)
 1.46A 6auuA-3sxfA:
undetectable
6auuB-3sxfA:
undetectable		 6auuA-3sxfA:
9.13
6auuB-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
 1.42A 6auuA-3ti8A:
undetectable
6auuB-3ti8A:
undetectable		 6auuA-3ti8A:
10.89
6auuB-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
 1.27A 6auuA-3tquA:
undetectable
6auuB-3tquA:
undetectable		 6auuA-3tquA:
14.63
6auuB-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 6auuA-3uxmA:
undetectable
6auuB-3uxmA:
undetectable		 6auuA-3uxmA:
16.11
6auuB-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
 1.32A 6auuA-4bgdC:
undetectable
6auuB-4bgdC:
undetectable		 6auuA-4bgdC:
14.35
6auuB-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
 1.49A 6auuA-4fnqA:
undetectable
6auuB-4fnqA:
undetectable		 6auuA-4fnqA:
7.85
6auuB-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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 ARG A 239
TRP A  58
TRP A 143
PHE A 158
 None
 1.32A 6auuA-4j3qA:
undetectable
6auuB-4j3qA:
undetectable		 6auuA-4j3qA:
12.81
6auuB-4j3qA:
12.81
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.
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
 1.06A 6auuA-4l37B:
undetectable
6auuB-4l37B:
undetectable		 6auuA-4l37B:
7.86
6auuB-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.35A 6auuA-4pneA:
undetectable
6auuB-4pneA:
undetectable		 6auuA-4pneA:
15.11
6auuB-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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 TRP A 359
TRP A 299
TRP A 361
GLU A 360
 None
None
None
CA  A 517 (-3.9A)
 1.11A 6auuA-4x8dA:
2.8
6auuB-4x8dA:
undetectable		 6auuA-4x8dA:
9.93
6auuB-4x8dA:
9.93
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.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
thermoresistibile) 		PF00722
(Glyco_hydro_16) 		4 VAL A 177
TRP A 149
TRP A 128
GLU A 148
 None
EDO  A 308 (-3.6A)
EDO  A 307 (-4.0A)
EDO  A 307 (-3.4A)
 1.10A 6auuA-4xdqA:
undetectable
6auuB-4xdqA:
undetectable		 6auuA-4xdqA:
12.45
6auuB-4xdqA:
12.45
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.13A 6auuA-4xj6A:
2.1
6auuB-4xj6A:
undetectable		 6auuA-4xj6A:
10.81
6auuB-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
 1.11A 6auuA-4xj6A:
2.1
6auuB-4xj6A:
undetectable		 6auuA-4xj6A:
10.81
6auuB-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
 1.41A 6auuA-4ylrA:
undetectable
6auuB-4ylrA:
undetectable		 6auuA-4ylrA:
13.14
6auuB-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 ARG A 505
VAL A 736
TRP A 732
GLU A 731
 None
 1.37A 6auuA-5by3A:
undetectable
6auuB-5by3A:
undetectable		 6auuA-5by3A:
6.96
6auuB-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
 1.49A 6auuA-5c6gB:
undetectable
6auuB-5c6gB:
undetectable		 6auuA-5c6gB:
12.39
6auuB-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.
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
 1.26A 6auuA-5fjnA:
undetectable
6auuB-5fjnA:
undetectable		 6auuA-5fjnA:
10.96
6auuB-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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		4 TRP A 179
TRP A 141
PHE A 147
GLU A 143
 None
None
None
GOL  A 402 (-2.9A)
 1.49A 6auuA-5i2uA:
0.1
6auuB-5i2uA:
undetectable		 6auuA-5i2uA:
12.16
6auuB-5i2uA:
12.16
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.
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
 1.34A 6auuA-5kn8A:
undetectable
6auuB-5kn8A:
undetectable		 6auuA-5kn8A:
15.52
6auuB-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
 1.43A 6auuA-5m7rA:
undetectable
6auuB-5m7rA:
undetectable		 6auuA-5m7rA:
6.22
6auuB-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 6auuA-5m8tA:
undetectable
6auuB-5m8tA:
undetectable		 6auuA-5m8tA:
11.81
6auuB-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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 228
TRP A 160
TRP A 230
GLU A 229
 ACT  A 405 (-3.9A)
None
None
CA  A 407 (-3.9A)
 1.12A 6auuA-5nyyA:
undetectable
6auuB-5nyyA:
undetectable		 6auuA-5nyyA:
12.46
6auuB-5nyyA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 ARG A 239
TRP A  58
TRP A 143
PHE A 158
 None
 1.36A 6auuA-5or4A:
undetectable
6auuB-5or4A:
undetectable		 6auuA-5or4A:
17.07
6auuB-5or4A:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ARG A 501
TRP A 536
TRP A 465
GLU A 507
 None
 1.47A 6auuA-5ot1A:
undetectable
6auuB-5ot1A:
undetectable		 6auuA-5ot1A:
12.50
6auuB-5ot1A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ta9 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF04616
(Glyco_hydro_43) 		4 VAL A 150
TRP A 206
TRP A 198
GLU A 207
 None
 1.15A 6auuA-5ta9A:
undetectable
6auuB-5ta9A:
undetectable		 6auuA-5ta9A:
10.03
6auuB-5ta9A:
10.03
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.
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
 1.21A 6auuA-5xf7A:
undetectable
6auuB-5xf7A:
undetectable		 6auuA-5xf7A:
18.82
6auuB-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
 1.27A 6auuA-6bk1A:
undetectable
6auuB-6bk1A:
undetectable		 6auuA-6bk1A:
16.87
6auuB-6bk1A:
16.87