SIMILAR PATTERNS OF AMINO ACIDS FOR 5VUR_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.
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 5vurA-1cyoA:
0.0
5vurB-1cyoA:
0.0
5vurA-1cyoA:
12.05
5vurB-1cyoA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 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
1.45A 5vurA-1dvkA:
1.7
5vurB-1dvkA:
1.9
5vurA-1dvkA:
17.18
5vurB-1dvkA:
17.18
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE


(Escherichia
coli)
PF13378
(MR_MLE_C)
4 TRP A  66
GLU A  76
ARG A   2
VAL A  87
None
1.48A 5vurA-1fhuA:
undetectable
5vurB-1fhuA:
0.0
5vurA-1fhuA:
25.23
5vurB-1fhuA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 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
1.23A 5vurA-1flgA:
0.0
5vurB-1flgA:
0.0
5vurA-1flgA:
19.67
5vurB-1flgA:
19.67
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.
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
1.41A 5vurA-1h2tC:
0.0
5vurB-1h2tC:
0.0
5vurA-1h2tC:
19.48
5vurB-1h2tC:
19.48
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE


(Thermus
thermophilus)
PF00764
(Arginosuc_synth)
4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
None
1.34A 5vurA-1kh2A:
0.3
5vurB-1kh2A:
0.0
5vurA-1kh2A:
22.65
5vurB-1kh2A:
22.65
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)
0.41A 5vurA-1lzxA:
63.3
5vurB-1lzxA:
62.2
5vurA-1lzxA:
100.00
5vurB-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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN


(Pseudomonas
aeruginosa)
PF01475
(FUR)
4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
None
1.09A 5vurA-1mzbA:
0.2
5vurB-1mzbA:
0.6
5vurA-1mzbA:
16.59
5vurB-1mzbA:
16.59
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38


(Drosophila
melanogaster)
PF00104
(Hormone_recep)
4 TRP A 435
PHE A 432
MET A 440
VAL A 401
None
0.85A 5vurA-1pduA:
0.0
5vurB-1pduA:
0.0
5vurA-1pduA:
21.05
5vurB-1pduA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 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
1.26A 5vurA-1qb4A:
0.4
5vurB-1qb4A:
3.7
5vurA-1qb4A:
19.22
5vurB-1qb4A:
19.22
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.
1tki TITIN

(Homo sapiens)
PF00069
(Pkinase)
4 TRP A 277
PHE A 254
GLU A 250
VAL A 122
None
1.45A 5vurA-1tkiA:
undetectable
5vurB-1tkiA:
undetectable
5vurA-1tkiA:
20.23
5vurB-1tkiA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0o VON WILLEBRAND
FACTOR


(Mus musculus)
PF00092
(VWA)
4 PHE C 536
GLU C 542
MET C 541
VAL C 691
None
1.37A 5vurA-1u0oC:
undetectable
5vurB-1u0oC:
undetectable
5vurA-1u0oC:
21.14
5vurB-1u0oC:
21.14
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE


(Thermotoga
maritima)
PF01048
(PNP_UDP_1)
4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
None
1.38A 5vurA-1vmkA:
undetectable
5vurB-1vmkA:
undetectable
5vurA-1vmkA:
21.48
5vurB-1vmkA:
21.48
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.
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
1.24A 5vurA-1wf0A:
undetectable
5vurB-1wf0A:
undetectable
5vurA-1wf0A:
11.85
5vurB-1wf0A:
11.85
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.
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
1.20A 5vurA-1wqlB:
undetectable
5vurB-1wqlB:
undetectable
5vurA-1wqlB:
19.79
5vurB-1wqlB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 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
1.04A 5vurA-2b39A:
undetectable
5vurB-2b39A:
2.2
5vurA-2b39A:
13.58
5vurB-2b39A:
13.58
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A


(Archaeoglobus
fulgidus)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
4 GLU A 555
ARG A 586
VAL A 578
TRP A 579
None
1.25A 5vurA-2fjaA:
undetectable
5vurB-2fjaA:
1.5
5vurA-2fjaA:
22.29
5vurB-2fjaA:
22.29
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.
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
1.35A 5vurA-2fjaB:
undetectable
5vurB-2fjaB:
undetectable
5vurA-2fjaB:
18.25
5vurB-2fjaB:
18.25
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.
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
1.34A 5vurA-2i9uA:
undetectable
5vurB-2i9uA:
undetectable
5vurA-2i9uA:
20.97
5vurB-2i9uA:
20.97
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.
2rik TITIN

(Oryctolagus
cuniculus)
PF07679
(I-set)
4 PHE A  97
GLU A 116
VAL A 127
TRP A 129
None
1.32A 5vurA-2rikA:
undetectable
5vurB-2rikA:
undetectable
5vurA-2rikA:
22.52
5vurB-2rikA:
22.52
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.
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 5vurA-2w4oA:
undetectable
5vurB-2w4oA:
undetectable
5vurA-2w4oA:
20.26
5vurB-2w4oA:
20.26
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.
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
1.45A 5vurA-2xhyA:
undetectable
5vurB-2xhyA:
undetectable
5vurA-2xhyA:
20.63
5vurB-2xhyA:
20.63
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.
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
1.32A 5vurA-2xvgA:
0.5
5vurB-2xvgA:
undetectable
5vurA-2xvgA:
19.68
5vurB-2xvgA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 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
1.28A 5vurA-2ywbA:
undetectable
5vurB-2ywbA:
undetectable
5vurA-2ywbA:
21.54
5vurB-2ywbA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 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
1.47A 5vurA-2z11A:
undetectable
5vurB-2z11A:
undetectable
5vurA-2z11A:
17.58
5vurB-2z11A:
17.58
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.
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
1.24A 5vurA-2zf8A:
undetectable
5vurB-2zf8A:
undetectable
5vurA-2zf8A:
21.35
5vurB-2zf8A:
21.35
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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE


(Mycobacterium
gastri)
PF00215
(OMPdecase)
4 PHE A1074
GLU A1069
MET A1060
VAL A1106
None
1.36A 5vurA-3ajxA:
undetectable
5vurB-3ajxA:
undetectable
5vurA-3ajxA:
20.24
5vurB-3ajxA:
20.24
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.
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
1.43A 5vurA-3b7fA:
undetectable
5vurB-3b7fA:
undetectable
5vurA-3b7fA:
20.87
5vurB-3b7fA:
20.87
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.
3bit FACT COMPLEX SUBUNIT
SPT16


(Saccharomyces
cerevisiae)
PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob)
4 TRP A 147
PHE A 117
ARG A 105
VAL A  35
None
1.49A 5vurA-3bitA:
undetectable
5vurB-3bitA:
undetectable
5vurA-3bitA:
23.51
5vurB-3bitA:
23.51
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.
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
0.95A 5vurA-3d2wA:
undetectable
5vurB-3d2wA:
undetectable
5vurA-3d2wA:
12.22
5vurB-3d2wA:
12.22
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber)
PF01036
(Bac_rhodopsin)
4 TRP A  70
PHE A  88
GLU A  71
VAL A  16
None
1.42A 5vurA-3ddlA:
undetectable
5vurB-3ddlA:
undetectable
5vurA-3ddlA:
20.14
5vurB-3ddlA:
20.14
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.
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
1.33A 5vurA-3f3zA:
undetectable
5vurB-3f3zA:
undetectable
5vurA-3f3zA:
21.03
5vurB-3f3zA:
21.03
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.
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
1.29A 5vurA-3gyxB:
undetectable
5vurB-3gyxB:
undetectable
5vurA-3gyxB:
16.67
5vurB-3gyxB:
16.67
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.
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
1.38A 5vurA-3hzpA:
undetectable
5vurB-3hzpA:
undetectable
5vurA-3hzpA:
14.18
5vurB-3hzpA:
14.18
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN


(Bacteroides
vulgatus)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.39A 5vurA-3lewA:
undetectable
5vurB-3lewA:
undetectable
5vurA-3lewA:
19.36
5vurB-3lewA:
19.36
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1


(Toxoplasma
gondii)
PF00069
(Pkinase)
4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
None
1.38A 5vurA-3ma6A:
undetectable
5vurB-3ma6A:
undetectable
5vurA-3ma6A:
21.55
5vurB-3ma6A:
21.55
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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8


(Homo sapiens)
PF00443
(UCH)
4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
None
1.43A 5vurA-3n3kA:
undetectable
5vurB-3n3kA:
undetectable
5vurA-3n3kA:
19.83
5vurB-3n3kA:
19.83
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.
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)
1.47A 5vurA-3nerA:
undetectable
5vurB-3nerA:
undetectable
5vurA-3nerA:
14.93
5vurB-3nerA:
14.93
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.
3nkz FLAGELLAR PROTEIN
FLIT


(Yersinia
enterocolitica)
PF05400
(FliT)
4 GLU A  37
MET A  38
ARG A  69
VAL A  44
None
None
None
PG4  A 122 ( 4.2A)
1.48A 5vurA-3nkzA:
4.1
5vurB-3nkzA:
2.3
5vurA-3nkzA:
15.33
5vurB-3nkzA:
15.33
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.
3owc PROBABLE
ACETYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
None
1.21A 5vurA-3owcA:
undetectable
5vurB-3owcA:
undetectable
5vurA-3owcA:
16.47
5vurB-3owcA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum)
PF08327
(AHSA1)
4 PHE A 113
GLU A 109
MET A 108
TRP A 128
None
1.34A 5vurA-3q63A:
undetectable
5vurB-3q63A:
undetectable
5vurA-3q63A:
13.71
5vurB-3q63A:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjl 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE


(Bacillus
licheniformis)
PF00171
(Aldedh)
4 PHE A 431
GLU A 433
ARG A 459
VAL A 295
None
CD  A 542 (-2.3A)
None
None
1.45A 5vurA-3rjlA:
undetectable
5vurB-3rjlA:
1.1
5vurA-3rjlA:
22.66
5vurB-3rjlA:
22.66
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.
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
1.42A 5vurA-3sxfA:
undetectable
5vurB-3sxfA:
undetectable
5vurA-3sxfA:
20.77
5vurB-3sxfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 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
1.36A 5vurA-3ti8A:
undetectable
5vurB-3ti8A:
undetectable
5vurA-3ti8A:
22.64
5vurB-3ti8A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 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
1.29A 5vurA-3uxmA:
undetectable
5vurB-3uxmA:
undetectable
5vurA-3uxmA:
20.29
5vurB-3uxmA:
20.29
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08084
(PROCT)
4 TRP C2314
PHE C2329
GLU C2310
VAL C2274
None
1.32A 5vurA-4bgdC:
undetectable
5vurB-4bgdC:
undetectable
5vurA-4bgdC:
20.99
5vurB-4bgdC:
20.99
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.
4bs2 TAR DNA-BINDING
PROTEIN 43


(Homo sapiens)
PF00076
(RRM_1)
4 PHE A 211
GLU A 206
MET A 202
VAL A 220
None
1.07A 5vurA-4bs2A:
undetectable
5vurB-4bs2A:
undetectable
5vurA-4bs2A:
15.87
5vurB-4bs2A:
15.87
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.
4d8o ANKYRIN-2

(Homo sapiens)
PF00531
(Death)
PF00791
(ZU5)
4 PHE A1118
GLU A1032
ARG A1065
VAL A1046
None
1.34A 5vurA-4d8oA:
undetectable
5vurB-4d8oA:
undetectable
5vurA-4d8oA:
19.44
5vurB-4d8oA:
19.44
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
PF14859
(Colicin_M)
4 TRP A  62
PHE A  85
MET A 258
VAL A 265
None
1.30A 5vurA-4g76A:
undetectable
5vurB-4g76A:
undetectable
5vurA-4g76A:
19.86
5vurB-4g76A:
19.86
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.
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
1.04A 5vurA-4l37B:
undetectable
5vurB-4l37B:
undetectable
5vurA-4l37B:
20.69
5vurB-4l37B:
20.69
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.
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 5vurA-4mlnA:
undetectable
5vurB-4mlnA:
undetectable
5vurA-4mlnA:
16.55
5vurB-4mlnA:
16.55
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.
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 5vurA-4n6wA:
undetectable
5vurB-4n6wA:
undetectable
5vurA-4n6wA:
19.62
5vurB-4n6wA:
19.62
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus)
PF00085
(Thioredoxin)
PF04777
(Evr1_Alr)
4 PHE A  68
GLU A 115
ARG A 125
VAL A  53
None
1.30A 5vurA-4p2lA:
undetectable
5vurB-4p2lA:
undetectable
5vurA-4p2lA:
21.63
5vurB-4p2lA:
21.63
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN


(Saccharopolyspora
spinosa)
PF08241
(Methyltransf_11)
4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
None
1.38A 5vurA-4pneA:
undetectable
5vurB-4pneA:
undetectable
5vurA-4pneA:
21.36
5vurB-4pneA:
21.36
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE


(Vibrio cholerae)
no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
None
1.21A 5vurA-4xj5A:
undetectable
5vurB-4xj5A:
1.9
5vurA-4xj5A:
22.45
5vurB-4xj5A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli)
no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
None
1.17A 5vurA-4xj6A:
1.6
5vurB-4xj6A:
undetectable
5vurA-4xj6A:
21.06
5vurB-4xj6A:
21.06
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli)
no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
None
1.14A 5vurA-4xj6A:
1.6
5vurB-4xj6A:
undetectable
5vurA-4xj6A:
21.06
5vurB-4xj6A:
21.06
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7


(Homo sapiens)
PF03133
(TTL)
4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
None
1.42A 5vurA-4ylrA:
0.5
5vurB-4ylrA:
undetectable
5vurA-4ylrA:
22.81
5vurB-4ylrA:
22.81
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE


(Eimeria tenella)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
4 TRP A 251
PHE A 246
ARG A 263
VAL A 254
None
1.50A 5vurA-4ysjA:
undetectable
5vurB-4ysjA:
undetectable
5vurA-4ysjA:
20.98
5vurB-4ysjA:
20.98
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.
4zva DIGUANYLATE CYCLASE
DOSC


(Escherichia
coli)
PF11563
(Protoglobin)
4 TRP A  12
GLU A  11
MET A   8
VAL A  84
None
1.38A 5vurA-4zvaA:
undetectable
5vurB-4zvaA:
2.2
5vurA-4zvaA:
18.86
5vurB-4zvaA:
18.86
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.
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 5vurA-5bs1A:
undetectable
5vurB-5bs1A:
undetectable
5vurA-5bs1A:
14.45
5vurB-5bs1A:
14.45
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.
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
1.45A 5vurA-5c6gA:
3.6
5vurB-5c6gA:
2.6
5vurA-5c6gA:
21.86
5vurB-5c6gA:
21.86
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei)
PF00141
(peroxidase)
4 TRP A 736
PHE A 732
GLU A 560
VAL A 481
None
1.47A 5vurA-5kqiA:
undetectable
5vurB-5kqiA:
1.8
5vurA-5kqiA:
20.85
5vurB-5kqiA:
20.85
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens)
PF07555
(NAGidase)
4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
None
1.34A 5vurA-5m7rA:
undetectable
5vurB-5m7rA:
undetectable
5vurA-5m7rA:
18.13
5vurB-5m7rA:
18.13
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.
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
1.05A 5vurA-5m8tA:
undetectable
5vurB-5m8tA:
undetectable
5vurA-5m8tA:
20.00
5vurB-5m8tA:
20.00
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN


(Homo sapiens)
PF07555
(NAGidase)
4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
None
1.39A 5vurA-5uhkA:
0.6
5vurB-5uhkA:
undetectable
5vurA-5uhkA:
22.30
5vurB-5uhkA:
22.30
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN


(Homo sapiens)
PF07555
(NAGidase)
4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
None
1.47A 5vurA-5uhpA:
0.6
5vurB-5uhpA:
undetectable
5vurA-5uhpA:
20.00
5vurB-5uhpA:
20.00
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens)
PF07555
(NAGidase)
4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
None
1.35A 5vurA-5vvoA:
1.0
5vurB-5vvoA:
undetectable
5vurA-5vvoA:
21.05
5vurB-5vvoA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 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
1.44A 5vurA-5wq3A:
undetectable
5vurB-5wq3A:
undetectable
5vurA-5wq3A:
24.23
5vurB-5wq3A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 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
1.07A 5vurA-5x89A:
undetectable
5vurB-5x89A:
undetectable
5vurA-5x89A:
12.70
5vurB-5x89A:
12.70
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.
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
1.16A 5vurA-5xwdH:
undetectable
5vurB-5xwdH:
undetectable
5vurA-5xwdH:
9.59
5vurB-5xwdH:
9.59