SIMILAR PATTERNS OF AMINO ACIDS FOR 6AUU_B_H4BB802_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.
1cyo CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.8A)
None
None
None
 1.30A 6auuA-1cyoA:
0.0
6auuB-1cyoA:
0.0		 6auuA-1cyoA:
22.45
6auuB-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 TRP A 242
PHE A 239
GLU A 241
ARG A 123
 None
 1.46A 6auuA-1dvkA:
2.4
6auuB-1dvkA:
0.0		 6auuA-1dvkA:
18.50
6auuB-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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.19A 6auuA-1flgA:
0.0
6auuB-1flgA:
0.0		 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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 GLU A 814
MET A 815
VAL A 707
TRP A 819
 None
 1.12A 6auuA-1jqoA:
0.0
6auuB-1jqoA:
0.0		 6auuA-1jqoA:
6.13
6auuB-1jqoA:
6.13
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.30A 6auuA-1kh2A:
0.3
6auuB-1kh2A:
0.0		 6auuA-1kh2A:
10.75
6auuB-1kh2A:
10.75
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)
 0.65A 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.
1m59 CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.7A)
None
None
None
 1.48A 6auuA-1m59A:
0.0
6auuB-1m59A:
0.0		 6auuA-1m59A:
21.95
6auuB-1m59A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.40A 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 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.05A 6auuA-1mzbA:
0.9
6auuB-1mzbA:
0.1		 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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.96A 6auuA-1pduA:
1.3
6auuB-1pduA:
undetectable		 6auuA-1pduA:
15.70
6auuB-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 PHE A 206
GLU A 201
MET A 249
VAL A 267
 None
 1.25A 6auuA-1qb4A:
3.4
6auuB-1qb4A:
undetectable		 6auuA-1qb4A:
6.16
6auuB-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 TRP A 110
PHE A 117
ARG A   2
VAL A  28
 None
 1.49A 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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 277
PHE A 254
GLU A 250
VAL A 122
 None
 1.48A 6auuA-1tkiA:
undetectable
6auuB-1tkiA:
undetectable		 6auuA-1tkiA:
13.06
6auuB-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 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.42A 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.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 PHE A  26
GLU A  21
MET A  17
VAL A  35
 None
 1.14A 6auuA-1wf0A:
undetectable
6auuB-1wf0A:
undetectable		 6auuA-1wf0A:
20.83
6auuB-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 PHE B 163
GLU B  26
ARG B 156
VAL B 128
 None
 1.21A 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.
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 PHE A 722
GLU A 693
ARG A 708
VAL A1424
 None
 1.03A 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 TRP I 225
PHE I 274
GLU I 378
VAL I 375
 None
 1.48A 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.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		4 PHE A 206
GLU A 208
MET A 211
VAL A 148
 None
 1.42A 6auuA-2d3yA:
undetectable
6auuB-2d3yA:
undetectable		 6auuA-2d3yA:
14.36
6auuB-2d3yA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 TRP B 788
GLU A 360
ARG A  62
VAL A 367
 None
 1.32A 6auuA-2fjaB:
undetectable
6auuB-2fjaB:
undetectable		 6auuA-2fjaB:
17.65
6auuB-2fjaB:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
 1.29A 6auuA-2ggmA:
undetectable
6auuB-2ggmA:
undetectable		 6auuA-2ggmA:
18.60
6auuB-2ggmA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 PHE A  99
GLU A 101
ARG A 202
TRP A  93
 None
None
GUN  A 503 (-3.7A)
None
 1.42A 6auuA-2i9uA:
undetectable
6auuB-2i9uA:
0.0		 6auuA-2i9uA:
10.67
6auuB-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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
None
None
CA  A1001 ( 4.9A)
 1.32A 6auuA-2obhA:
undetectable
6auuB-2obhA:
undetectable		 6auuA-2obhA:
20.83
6auuB-2obhA:
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.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 PHE A  97
GLU A 116
VAL A 127
TRP A 129
 None
 1.40A 6auuA-2rikA:
undetectable
6auuB-2rikA:
undetectable		 6auuA-2rikA:
16.20
6auuB-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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 TRP A 368
GLU A 371
MET A 370
TRP A 369
 None
 1.05A 6auuA-2v4jA:
undetectable
6auuB-2v4jA:
undetectable		 6auuA-2v4jA:
10.70
6auuB-2v4jA:
10.70
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 TRP A 252
PHE A 254
GLU A 251
VAL A 245
 None
None
MRD  A1301 (-4.3A)
None
 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 TRP A 266
PHE A 261
ARG A 278
VAL A 269
 None
 1.40A 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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 PHE A  98
GLU A 108
ARG A 159
VAL A 164
 None
 1.50A 6auuA-2xhyA:
0.2
6auuB-2xhyA:
undetectable		 6auuA-2xhyA:
10.84
6auuB-2xhyA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 698
GLU A 722
ARG A 697
VAL A 717
 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 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.31A 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 TRP A  66
PHE A   4
GLU A   6
VAL A  64
 None
 1.42A 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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 TRP A  15
PHE A 137
GLU A  16
MET A  17
 None
 1.34A 6auuA-2zf8A:
undetectable
6auuB-2zf8A:
undetectable		 6auuA-2zf8A:
13.57
6auuB-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.
2znm THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Neisseria
meningitidis) 		PF13462
(Thioredoxin_4) 		4 TRP A  64
GLU A 144
ARG A 161
VAL A  62
 None
 1.49A 6auuA-2znmA:
undetectable
6auuB-2znmA:
undetectable		 6auuA-2znmA:
17.01
6auuB-2znmA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE

(Mycobacterium
gastri) 		PF00215
(OMPdecase) 		4 PHE A1074
GLU A1069
MET A1060
VAL A1106
 None
 1.30A 6auuA-3ajxA:
0.7
6auuB-3ajxA:
undetectable		 6auuA-3ajxA:
14.49
6auuB-3ajxA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 TRP A 374
GLU A 372
VAL A 314
TRP A 293
 None
EDO  A 404 ( 3.8A)
None
None
 1.38A 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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 PHE A 211
GLU A 206
MET A 202
VAL A 220
 None
 0.98A 6auuA-3d2wA:
undetectable
6auuB-3d2wA:
undetectable		 6auuA-3d2wA:
17.98
6auuB-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 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.47A 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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.34A 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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B  88
GLU A 380
ARG A  66
VAL A 387
 None
 1.26A 6auuA-3gyxB:
undetectable
6auuB-3gyxB:
undetectable		 6auuA-3gyxB:
18.18
6auuB-3gyxB:
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		4 TRP A 534
PHE A 531
MET A 471
ARG A 518
 None
 1.40A 6auuA-3k5zA:
undetectable
6auuB-3k5zA:
undetectable		 6auuA-3k5zA:
11.00
6auuB-3k5zA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.40A 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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
 None
 1.44A 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.
3ner CYTOCHROME B5 TYPE B

(Homo sapiens) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.7A)
None
None
HEM  A 201 (-4.5A)
 1.46A 6auuA-3nerA:
undetectable
6auuB-3nerA:
undetectable		 6auuA-3nerA:
23.16
6auuB-3nerA:
23.16
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		4 TRP A 368
GLU A 371
MET A 370
TRP A 369
 None
 1.25A 6auuA-3or2A:
undetectable
6auuB-3or2A:
undetectable		 6auuA-3or2A:
11.08
6auuB-3or2A:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.21A 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.
3p0l STEROIDOGENIC ACUTE
REGULATORY PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF01852
(START) 		4 PHE A 165
GLU A  80
MET A  83
VAL A 187
 None
 1.44A 6auuA-3p0lA:
undetectable
6auuB-3p0lA:
undetectable		 6auuA-3p0lA:
15.21
6auuB-3p0lA:
15.21
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.29A 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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 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 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.40A 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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		4 PHE A 162
GLU A 156
ARG A 109
VAL A 166
 None
MG  A 213 (-3.2A)
None
None
 1.30A 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 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 None
 1.31A 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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 PHE A1118
GLU A1032
ARG A1065
VAL A1046
 None
 1.35A 6auuA-4d8oA:
undetectable
6auuB-4d8oA:
undetectable		 6auuA-4d8oA:
8.30
6auuB-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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.36A 6auuA-4g76A:
undetectable
6auuB-4g76A:
undetectable		 6auuA-4g76A:
11.72
6auuB-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 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.05A 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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.09A 6auuA-4mlnA:
undetectable
6auuB-4mlnA:
undetectable		 6auuA-4mlnA:
15.43
6auuB-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 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.15A 6auuA-4n6wA:
undetectable
6auuB-4n6wA:
undetectable		 6auuA-4n6wA:
13.72
6auuB-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 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.36A 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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.20A 6auuA-4xj6A:
undetectable
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 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.10A 6auuA-4xj6A:
undetectable
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 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.42A 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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		4 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 6auuA-5bs1A:
undetectable
6auuB-5bs1A:
undetectable		 6auuA-5bs1A:
18.18
6auuB-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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 TRP A 401
PHE A 397
GLU A 402
VAL B  28
 None
 1.46A 6auuA-5c6gA:
2.6
6auuB-5c6gA:
undetectable		 6auuA-5c6gA:
7.75
6auuB-5c6gA:
7.75
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.32A 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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 TRP A 736
PHE A 732
GLU A 560
VAL A 481
 None
 1.49A 6auuA-5kqiA:
undetectable
6auuB-5kqiA:
undetectable		 6auuA-5kqiA:
6.51
6auuB-5kqiA:
6.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 GLU B 307
MET B 306
VAL B 310
TRP B 305
 None
 1.39A 6auuA-5lb3B:
undetectable
6auuB-5lb3B:
undetectable		 6auuA-5lb3B:
10.56
6auuB-5lb3B:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 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 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.39A 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 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.07A 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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.49A 6auuA-5uhpA:
undetectable
6auuB-5uhpA:
undetectable		 6auuA-5uhpA:
11.08
6auuB-5uhpA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.17A 6auuA-5xwdH:
undetectable
6auuB-5xwdH:
undetectable		 6auuA-5xwdH:
21.11
6auuB-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 GLU A 322
ARG A 331
VAL A 317
TRP A 316
 None
None
UDP  A 501 ( 4.8A)
None
 1.27A 6auuA-6bk1A:
undetectable
6auuB-6bk1A:
undetectable		 6auuA-6bk1A:
16.87
6auuB-6bk1A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.32A 6auuA-6fyoA:
undetectable
6auuB-6fyoA:
undetectable		 6auuA-6fyoA:
undetectable
6auuB-6fyoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.24A 6auuA-6fyvA:
undetectable
6auuB-6fyvA:
undetectable		 6auuA-6fyvA:
undetectable
6auuB-6fyvA:
undetectable