SIMILAR PATTERNS OF AMINO ACIDS FOR 6AUV_B_H4BB802

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 TRP A  66
GLU A  76
ARG A   2
VAL A  87
None
1.50A 6auvA-1fhuA:
0.0
6auvB-1fhuA:
0.6
6auvA-1fhuA:
13.02
6auvB-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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN


(Homo sapiens)
PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2)
4 PHE C 360
GLU C 353
MET C 291
VAL C 216
None
1.48A 6auvA-1h2tC:
0.0
6auvB-1h2tC:
0.0
6auvA-1h2tC:
8.20
6auvB-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.
1h3j PEROXIDASE

(Coprinopsis
cinerea)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
4 TRP A 258
PHE A 211
MET A 268
VAL A 177
None
HSO  A 183 ( 3.5A)
None
None
1.36A 6auvA-1h3jA:
0.0
6auvB-1h3jA:
0.0
6auvA-1h3jA:
12.42
6auvB-1h3jA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 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 TRP A  97
PHE A 131
GLU A  95
ARG A 130
None
1.42A 6auvA-1kexA:
undetectable
6auvB-1kexA:
0.0
6auvA-1kexA:
19.75
6auvB-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 PHE A 220
GLU A 222
ARG A 282
VAL A 226
None
1.31A 6auvA-1kh2A:
0.0
6auvB-1kh2A:
0.5
6auvA-1kh2A:
10.75
6auvB-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 TRP A 155
PHE A 156
GLU A 154
ARG A 340
None
1.35A 6auvA-1l5jA:
0.0
6auvB-1l5jA:
0.0
6auvA-1l5jA:
6.89
6auvB-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)
0.34A 6auvA-1lzxA:
56.3
6auvB-1lzxA:
24.1
6auvA-1lzxA:
100.00
6auvB-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 PHE D  35
GLU D 132
VAL D  28
TRP D  31
None
1.33A 6auvA-1mhzD:
0.0
6auvB-1mhzD:
0.0
6auvA-1mhzD:
9.02
6auvB-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
1.00A 6auvA-1mzbA:
0.2
6auvB-1mzbA:
0.6
6auvA-1mzbA:
17.99
6auvB-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
0.84A 6auvA-1pduA:
0.7
6auvB-1pduA:
undetectable
6auvA-1pduA:
15.70
6auvB-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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa)
PF09152
(DUF1937)
4 TRP A 110
PHE A 117
ARG A   2
VAL A  28
None
1.49A 6auvA-1t1jA:
undetectable
6auvB-1t1jA:
undetectable
6auvA-1t1jA:
19.66
6auvB-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 TRP A 162
PHE A 265
GLU A 161
VAL A 221
None
1.42A 6auvA-1vmkA:
undetectable
6auvB-1vmkA:
undetectable
6auvA-1vmkA:
13.55
6auvB-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
1.22A 6auvA-1wf0A:
undetectable
6auvB-1wf0A:
undetectable
6auvA-1wf0A:
20.83
6auvB-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
1.15A 6auvA-1wqlB:
undetectable
6auvB-1wqlB:
undetectable
6auvA-1wqlB:
15.59
6auvB-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
1.08A 6auvA-2b39A:
undetectable
6auvB-2b39A:
undetectable
6auvA-2b39A:
4.04
6auvB-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 6auvA-2b4xI:
undetectable
6auvB-2b4xI:
undetectable
6auvA-2b4xI:
12.06
6auvB-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 TRP B 788
GLU A 360
ARG A  62
VAL A 367
None
1.36A 6auvA-2fjaB:
undetectable
6auvB-2fjaB:
undetectable
6auvA-2fjaB:
17.65
6auvB-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
1.32A 6auvA-2ggmA:
undetectable
6auvB-2ggmA:
undetectable
6auvA-2ggmA:
18.60
6auvB-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.
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)
1.30A 6auvA-2obhA:
undetectable
6auvB-2obhA:
undetectable
6auvA-2obhA:
20.83
6auvB-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.
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
1.41A 6auvA-2vy0A:
undetectable
6auvB-2vy0A:
undetectable
6auvA-2vy0A:
15.73
6auvB-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
1.41A 6auvA-2w4oA:
undetectable
6auvB-2w4oA:
undetectable
6auvA-2w4oA:
15.73
6auvB-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
1.49A 6auvA-2xhyA:
undetectable
6auvB-2xhyA:
undetectable
6auvA-2xhyA:
10.84
6auvB-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 6auvA-2xvgA:
undetectable
6auvB-2xvgA:
undetectable
6auvA-2xvgA:
6.04
6auvB-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
1.32A 6auvA-2ywbA:
undetectable
6auvB-2ywbA:
undetectable
6auvA-2ywbA:
9.44
6auvB-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
1.43A 6auvA-2z11A:
undetectable
6auvB-2z11A:
undetectable
6auvA-2z11A:
18.78
6auvB-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
1.25A 6auvA-2zf8A:
undetectable
6auvB-2zf8A:
undetectable
6auvA-2zf8A:
13.57
6auvB-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 TRP A 374
GLU A 372
VAL A 314
TRP A 293
None
EDO  A 404 ( 3.8A)
None
None
1.40A 6auvA-3b7fA:
undetectable
6auvB-3b7fA:
undetectable
6auvA-3b7fA:
11.89
6auvB-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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA


(Escherichia
coli)
PF07517
(SecA_DEAD)
4 GLU A  34
MET A  31
ARG A  53
VAL A  70
None
1.50A 6auvA-3bxzA:
undetectable
6auvB-3bxzA:
undetectable
6auvA-3bxzA:
11.94
6auvB-3bxzA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.97A 6auvA-3d2wA:
undetectable
6auvB-3d2wA:
undetectable
6auvA-3d2wA:
17.98
6auvB-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 6auvA-3ddlA:
undetectable
6auvB-3ddlA:
undetectable
6auvA-3ddlA:
11.72
6auvB-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
1.32A 6auvA-3f3zA:
undetectable
6auvB-3f3zA:
undetectable
6auvA-3f3zA:
14.62
6auvB-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 PHE A  67
GLU A  65
ARG A  27
VAL A  56
None
1.49A 6auvA-3gs3A:
undetectable
6auvB-3gs3A:
undetectable
6auvA-3gs3A:
16.24
6auvB-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 TRP B  88
GLU A 380
ARG A  66
VAL A 387
None
1.30A 6auvA-3gyxB:
undetectable
6auvB-3gyxB:
undetectable
6auvA-3gyxB:
18.18
6auvB-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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION


(Prochlorococcus
marinus)
PF12707
(DUF3804)
4 PHE A  34
MET A  20
ARG A 118
TRP A  51
1PE  A 131 (-4.5A)
1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
1.39A 6auvA-3hzpA:
undetectable
6auvB-3hzpA:
undetectable
6auvA-3hzpA:
17.69
6auvB-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.
3l3p IPAH9.8

(Shigella
flexneri)
PF14496
(NEL)
4 TRP A 274
GLU A 314
VAL A 258
TRP A 261
None
1.35A 6auvA-3l3pA:
3.1
6auvB-3l3pA:
3.3
6auvA-3l3pA:
12.03
6auvB-3l3pA:
12.03
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER


(Plasmodium
falciparum)
PF00069
(Pkinase)
4 TRP A 819
GLU A 787
MET A 786
VAL A 832
None
1.40A 6auvA-3lltA:
undetectable
6auvB-3lltA:
undetectable
6auvA-3lltA:
16.25
6auvB-3lltA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1


(Toxoplasma
gondii)
PF00069
(Pkinase)
4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
None
1.41A 6auvA-3ma6A:
undetectable
6auvB-3ma6A:
undetectable
6auvA-3ma6A:
14.65
6auvB-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
1.49A 6auvA-3n3kA:
undetectable
6auvB-3n3kA:
undetectable
6auvA-3n3kA:
10.53
6auvB-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 PHE A 121
GLU A 119
ARG A 175
VAL A  92
None
1.24A 6auvA-3owcA:
undetectable
6auvB-3owcA:
undetectable
6auvA-3owcA:
15.47
6auvB-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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
4 TRP A 249
PHE A 203
MET A 259
VAL A 169
None
1.40A 6auvA-3q3uA:
undetectable
6auvB-3q3uA:
0.5
6auvA-3q3uA:
12.35
6auvB-3q3uA:
12.35
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum)
PF08327
(AHSA1)
4 PHE A 113
GLU A 109
MET A 108
TRP A 128
None
1.30A 6auvA-3q63A:
undetectable
6auvB-3q63A:
undetectable
6auvA-3q63A:
19.26
6auvB-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.
3rjy ENDOGLUCANASE
FNCEL5A


(Fervidobacterium
nodosum)
PF00150
(Cellulase)
4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
None
1.27A 6auvA-3rjyA:
undetectable
6auvB-3rjyA:
1.5
6auvA-3rjyA:
14.43
6auvB-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 6auvA-3sxfA:
undetectable
6auvB-3sxfA:
undetectable
6auvA-3sxfA:
9.13
6auvB-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
1.42A 6auvA-3ti8A:
undetectable
6auvB-3ti8A:
undetectable
6auvA-3ti8A:
10.89
6auvB-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 TRP A 140
PHE A 118
GLU A 141
VAL A 162
None
1.25A 6auvA-3tquA:
undetectable
6auvB-3tquA:
undetectable
6auvA-3tquA:
14.63
6auvB-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 PHE A 162
GLU A 156
ARG A 109
VAL A 166
None
MG  A 213 (-3.2A)
None
None
1.33A 6auvA-3uxmA:
undetectable
6auvB-3uxmA:
undetectable
6auvA-3uxmA:
16.11
6auvB-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 6auvA-4bgdC:
undetectable
6auvB-4bgdC:
undetectable
6auvA-4bgdC:
14.35
6auvB-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 TRP A 383
PHE A 370
ARG A 373
VAL A 412
None
1.49A 6auvA-4fnqA:
undetectable
6auvB-4fnqA:
undetectable
6auvA-4fnqA:
7.85
6auvB-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 TRP A  62
PHE A  85
MET A 258
VAL A 265
None
1.36A 6auvA-4g76A:
undetectable
6auvB-4g76A:
undetectable
6auvA-4g76A:
11.72
6auvB-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.
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
1.14A 6auvA-4mlnA:
undetectable
6auvB-4mlnA:
undetectable
6auvA-4mlnA:
15.43
6auvB-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
1.21A 6auvA-4n6wA:
undetectable
6auvB-4n6wA:
undetectable
6auvA-4n6wA:
13.72
6auvB-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
1.34A 6auvA-4pneA:
undetectable
6auvB-4pneA:
undetectable
6auvA-4pneA:
15.11
6auvB-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 TRP A 267
PHE A 268
ARG A 280
VAL A 309
None
1.19A 6auvA-4xj5A:
undetectable
6auvB-4xj5A:
undetectable
6auvA-4xj5A:
12.08
6auvB-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 PHE A 264
GLU A 266
ARG A 276
VAL A 305
None
1.13A 6auvA-4xj6A:
undetectable
6auvB-4xj6A:
undetectable
6auvA-4xj6A:
10.81
6auvB-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
1.09A 6auvA-4xj6A:
undetectable
6auvB-4xj6A:
undetectable
6auvA-4xj6A:
10.81
6auvB-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
1.41A 6auvA-4ylrA:
0.5
6auvB-4ylrA:
undetectable
6auvA-4ylrA:
13.14
6auvB-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.
5b4x REELIN

(Mus musculus)
PF07974
(EGF_2)
4 TRP A2654
PHE A2555
VAL A2595
TRP A2641
None
1.46A 6auvA-5b4xA:
undetectable
6auvB-5b4xA:
undetectable
6auvA-5b4xA:
7.58
6auvB-5b4xA:
7.58
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
None
1.37A 6auvA-5by3A:
undetectable
6auvB-5by3A:
undetectable
6auvA-5by3A:
6.96
6auvB-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 TRP A 401
PHE A 397
GLU A 402
VAL B  28
None
1.50A 6auvA-5c6gA:
3.4
6auvB-5c6gA:
undetectable
6auvA-5c6gA:
7.75
6auvB-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.
5fjn L-AMINO ACID
DEAMINASE


(Cosenzaea
myxofaciens)
PF01266
(DAO)
4 GLU A 418
ARG A 316
VAL A 438
TRP A 439
None
BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
1.30A 6auvA-5fjnA:
undetectable
6auvB-5fjnA:
undetectable
6auvA-5fjnA:
10.96
6auvB-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 TRP A  83
PHE A  61
GLU A  84
VAL A  92
None
1.35A 6auvA-5kn8A:
1.0
6auvB-5kn8A:
undetectable
6auvA-5kn8A:
15.52
6auvB-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 TRP A  73
PHE A 318
GLU A 317
ARG A  84
None
1.43A 6auvA-5m7rA:
undetectable
6auvB-5m7rA:
0.5
6auvA-5m7rA:
6.22
6auvB-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
1.06A 6auvA-5m8tA:
undetectable
6auvB-5m8tA:
undetectable
6auvA-5m8tA:
11.81
6auvB-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 PHE A 159
MET A 112
ARG A 155
VAL A 104
None
1.45A 6auvA-5wq3A:
undetectable
6auvB-5wq3A:
undetectable
6auvA-5wq3A:
15.08
6auvB-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 PHE A 258
GLU A 253
MET A 249
VAL A 231
None
1.14A 6auvA-5x89A:
undetectable
6auvB-5x89A:
undetectable
6auvA-5x89A:
20.21
6auvB-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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS


(Homo sapiens)
no annotation 4 PHE A 113
GLU A 106
ARG A 129
VAL A  65
None
1.23A 6auvA-5xf7A:
undetectable
6auvB-5xf7A:
undetectable
6auvA-5xf7A:
18.82
6auvB-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.
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
1.01A 6auvA-5xwdH:
undetectable
6auvB-5xwdH:
undetectable
6auvA-5xwdH:
21.11
6auvB-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
1.28A 6auvA-6bk1A:
undetectable
6auvB-6bk1A:
undetectable
6auvA-6bk1A:
16.87
6auvB-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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2


(Homo sapiens)
no annotation 4 TRP A 421
GLU A 394
MET A 393
VAL A 431
None
1.42A 6auvA-6fylA:
undetectable
6auvB-6fylA:
undetectable
6auvA-6fylA:
undetectable
6auvB-6fylA:
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1


(Homo sapiens)
no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
None
1.43A 6auvA-6fyoA:
undetectable
6auvB-6fyoA:
undetectable
6auvA-6fyoA:
undetectable
6auvB-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
1.33A 6auvA-6fyvA:
undetectable
6auvB-6fyvA:
undetectable
6auvA-6fyvA:
undetectable
6auvB-6fyvA:
undetectable