SIMILAR PATTERNS OF AMINO ACIDS FOR 5VUL_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
 1.34A 5vulA-1cyoA:
0.0
5vulB-1cyoA:
0.0		 5vulA-1cyoA:
12.05
5vulB-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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 TRP A  66
GLU A  76
ARG A   2
VAL A  87
 None
 1.47A 5vulA-1fhuA:
0.0
5vulB-1fhuA:
0.0		 5vulA-1fhuA:
25.23
5vulB-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
 1.25A 5vulA-1flgA:
undetectable
5vulB-1flgA:
0.0		 5vulA-1flgA:
19.67
5vulB-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
 1.23A 5vulA-1h2tC:
0.0
5vulB-1h2tC:
0.0		 5vulA-1h2tC:
19.48
5vulB-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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.45A 5vulA-1kexA:
undetectable
5vulB-1kexA:
0.0		 5vulA-1kexA:
16.83
5vulB-1kexA:
16.83
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.32A 5vulA-1kh2A:
0.1
5vulB-1kh2A:
0.0		 5vulA-1kh2A:
22.65
5vulB-1kh2A:
22.65
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.
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 5vulA-1l5jA:
0.0
5vulB-1l5jA:
0.0		 5vulA-1l5jA:
19.28
5vulB-1l5jA:
19.28
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)
 0.55A 5vulA-1lzxA:
63.7
5vulB-1lzxA:
62.6		 5vulA-1lzxA:
100.00
5vulB-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
 1.41A 5vulA-1mhzD:
0.0
5vulB-1mhzD:
0.0		 5vulA-1mhzD:
20.85
5vulB-1mhzD:
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.
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 5vulA-1mzbA:
undetectable
5vulB-1mzbA:
undetectable		 5vulA-1mzbA:
16.59
5vulB-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
 1.06A 5vulA-1pduA:
undetectable
5vulB-1pduA:
undetectable		 5vulA-1pduA:
21.05
5vulB-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
 1.17A 5vulA-1qb4A:
3.8
5vulB-1qb4A:
undetectable		 5vulA-1qb4A:
19.22
5vulB-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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 TRP A 110
PHE A 117
ARG A   2
VAL A  28
 None
 1.46A 5vulA-1t1jA:
undetectable
5vulB-1t1jA:
undetectable		 5vulA-1t1jA:
16.38
5vulB-1t1jA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.46A 5vulA-1tkiA:
undetectable
5vulB-1tkiA:
undetectable		 5vulA-1tkiA:
20.23
5vulB-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.
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 5vulA-1vmkA:
undetectable
5vulB-1vmkA:
undetectable		 5vulA-1vmkA:
21.48
5vulB-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
 1.12A 5vulA-1wf0A:
undetectable
5vulB-1wf0A:
undetectable		 5vulA-1wf0A:
11.85
5vulB-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
 1.18A 5vulA-1wqlB:
undetectable
5vulB-1wqlB:
undetectable		 5vulA-1wqlB:
19.79
5vulB-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
 1.08A 5vulA-2b39A:
undetectable
5vulB-2b39A:
undetectable		 5vulA-2b39A:
13.58
5vulB-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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 TRP I 225
PHE I 274
GLU I 378
VAL I 375
 None
 1.50A 5vulA-2b4xI:
undetectable
5vulB-2b4xI:
undetectable		 5vulA-2b4xI:
22.01
5vulB-2b4xI:
22.01
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.
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
 1.24A 5vulA-2fjaA:
undetectable
5vulB-2fjaA:
undetectable		 5vulA-2fjaA:
22.29
5vulB-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 5vulA-2fjaB:
undetectable
5vulB-2fjaB:
undetectable		 5vulA-2fjaB:
18.25
5vulB-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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 PHE A  21
GLU A  17
ARG A 261
VAL A 443
 None
 1.26A 5vulA-2glfA:
undetectable
5vulB-2glfA:
undetectable		 5vulA-2glfA:
20.82
5vulB-2glfA:
20.82
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.
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
 1.31A 5vulA-2i9uA:
0.4
5vulB-2i9uA:
undetectable		 5vulA-2i9uA:
20.97
5vulB-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
 1.37A 5vulA-2rikA:
undetectable
5vulB-2rikA:
undetectable		 5vulA-2rikA:
22.52
5vulB-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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 GLU A  34
MET A  31
ARG A  53
VAL A  70
 None
 1.50A 5vulA-2vdaA:
undetectable
5vulB-2vdaA:
undetectable		 5vulA-2vdaA:
20.58
5vulB-2vdaA:
20.58
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.
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
 1.44A 5vulA-2vy0A:
undetectable
5vulB-2vy0A:
undetectable		 5vulA-2vy0A:
20.00
5vulB-2vy0A:
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.
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
 1.42A 5vulA-2w4oA:
undetectable
5vulB-2w4oA:
undetectable		 5vulA-2w4oA:
20.26
5vulB-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
 1.50A 5vulA-2xhyA:
0.0
5vulB-2xhyA:
undetectable		 5vulA-2xhyA:
20.63
5vulB-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.
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 5vulA-2ywbA:
undetectable
5vulB-2ywbA:
undetectable		 5vulA-2ywbA:
21.54
5vulB-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
 1.42A 5vulA-2z11A:
undetectable
5vulB-2z11A:
undetectable		 5vulA-2z11A:
17.58
5vulB-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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 TRP A 498
GLU A 487
MET A 511
VAL A 505
 None
 1.25A 5vulA-3ahiA:
undetectable
5vulB-3ahiA:
undetectable		 5vulA-3ahiA:
18.65
5vulB-3ahiA:
18.65
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.
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
 1.42A 5vulA-3b7fA:
undetectable
5vulB-3b7fA:
undetectable		 5vulA-3b7fA:
20.87
5vulB-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.
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
 1.06A 5vulA-3d2wA:
undetectable
5vulB-3d2wA:
undetectable		 5vulA-3d2wA:
12.22
5vulB-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
 1.46A 5vulA-3ddlA:
0.8
5vulB-3ddlA:
undetectable		 5vulA-3ddlA:
20.14
5vulB-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
 1.32A 5vulA-3f3zA:
undetectable
5vulB-3f3zA:
undetectable		 5vulA-3f3zA:
21.03
5vulB-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 5vulA-3gyxB:
undetectable
5vulB-3gyxB:
undetectable		 5vulA-3gyxB:
16.67
5vulB-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.
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 5vulA-3ma6A:
undetectable
5vulB-3ma6A:
undetectable		 5vulA-3ma6A:
21.55
5vulB-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
 1.49A 5vulA-3n3kA:
undetectable
5vulB-3n3kA:
undetectable		 5vulA-3n3kA:
19.83
5vulB-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.
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)
 1.34A 5vulA-3nkzA:
undetectable
5vulB-3nkzA:
undetectable		 5vulA-3nkzA:
15.33
5vulB-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 5vulA-3owcA:
undetectable
5vulB-3owcA:
undetectable		 5vulA-3owcA:
16.47
5vulB-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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.30A 5vulA-3rjyA:
undetectable
5vulB-3rjyA:
undetectable		 5vulA-3rjyA:
21.27
5vulB-3rjyA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.45A 5vulA-3sxfA:
undetectable
5vulB-3sxfA:
undetectable		 5vulA-3sxfA:
20.77
5vulB-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
 1.40A 5vulA-3ti8A:
undetectable
5vulB-3ti8A:
undetectable		 5vulA-3ti8A:
22.64
5vulB-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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE B 953
GLU B 951
ARG B 924
VAL B 944
 None
 1.31A 5vulA-3tixB:
undetectable
5vulB-3tixB:
undetectable		 5vulA-3tixB:
21.73
5vulB-3tixB:
21.73
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.
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
 1.27A 5vulA-3tquA:
undetectable
5vulB-3tquA:
undetectable		 5vulA-3tquA:
19.05
5vulB-3tquA:
19.05
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.
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
 1.28A 5vulA-3uxmA:
undetectable
5vulB-3uxmA:
undetectable		 5vulA-3uxmA:
20.29
5vulB-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
 1.31A 5vulA-4bgdC:
undetectable
5vulB-4bgdC:
undetectable		 5vulA-4bgdC:
20.99
5vulB-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.
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 5vulA-4fnqA:
undetectable
5vulB-4fnqA:
undetectable		 5vulA-4fnqA:
20.73
5vulB-4fnqA:
20.73
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.33A 5vulA-4g76A:
undetectable
5vulB-4g76A:
undetectable		 5vulA-4g76A:
19.86
5vulB-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 5vulA-4l37B:
undetectable
5vulB-4l37B:
undetectable		 5vulA-4l37B:
20.69
5vulB-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.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 PHE A   7
GLU A  42
ARG A  29
VAL A  73
 None
None
None
FLC  A 300 (-4.1A)
 1.07A 5vulA-4lmvA:
undetectable
5vulB-4lmvA:
undetectable		 5vulA-4lmvA:
21.00
5vulB-4lmvA:
21.00
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 TRP A 218
PHE A 286
ARG A 385
TRP A 387
 None
 1.40A 5vulA-4mh1A:
undetectable
5vulB-4mh1A:
undetectable		 5vulA-4mh1A:
21.16
5vulB-4mh1A:
21.16
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		4 TRP A  45
ARG A 155
VAL A  38
TRP A 199
 None
X2X  A 403 (-3.0A)
X2X  A 403 ( 4.5A)
X2X  A 403 (-4.4A)
 1.49A 5vulA-4p8bA:
undetectable
5vulB-4p8bA:
undetectable		 5vulA-4p8bA:
20.81
5vulB-4p8bA:
20.81
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.
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 5vulA-4pneA:
undetectable
5vulB-4pneA:
undetectable		 5vulA-4pneA:
21.36
5vulB-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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.14A 5vulA-4xj6A:
0.1
5vulB-4xj6A:
undetectable		 5vulA-4xj6A:
21.06
5vulB-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
 1.08A 5vulA-4xj6A:
0.1
5vulB-4xj6A:
undetectable		 5vulA-4xj6A:
21.06
5vulB-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
 1.40A 5vulA-4ylrA:
undetectable
5vulB-4ylrA:
undetectable		 5vulA-4ylrA:
22.81
5vulB-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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		4 GLU A 705
MET A 713
ARG A 709
VAL A 762
 None
 1.28A 5vulA-4yplA:
undetectable
5vulB-4yplA:
undetectable		 5vulA-4yplA:
21.24
5vulB-4yplA:
21.24
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.
4zva DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 TRP A  12
GLU A  11
MET A   8
VAL A  84
 None
 1.25A 5vulA-4zvaA:
1.5
5vulB-4zvaA:
undetectable		 5vulA-4zvaA:
18.86
5vulB-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.
4zvb DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 TRP A  12
GLU A  11
MET A   8
VAL A  84
 None
 1.34A 5vulA-4zvbA:
1.9
5vulB-4zvbA:
undetectable		 5vulA-4zvbA:
17.06
5vulB-4zvbA:
17.06
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.
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)
 1.31A 5vulA-5bs1A:
undetectable
5vulB-5bs1A:
undetectable		 5vulA-5bs1A:
14.45
5vulB-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.40A 5vulA-5by3A:
undetectable
5vulB-5by3A:
undetectable		 5vulA-5by3A:
19.82
5vulB-5by3A:
19.82
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.
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
 1.47A 5vulA-5c6gA:
3.2
5vulB-5c6gA:
undetectable		 5vulA-5c6gA:
21.86
5vulB-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.
5ev7 CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 PHE A 350
GLU A 345
MET A 341
VAL A 300
 None
 1.47A 5vulA-5ev7A:
undetectable
5vulB-5ev7A:
undetectable		 5vulA-5ev7A:
20.59
5vulB-5ev7A:
20.59
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.41A 5vulA-5m7rA:
0.7
5vulB-5m7rA:
undetectable		 5vulA-5m7rA:
18.13
5vulB-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
 1.07A 5vulA-5m8tA:
undetectable
5vulB-5m8tA:
undetectable		 5vulA-5m8tA:
20.00
5vulB-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.
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
 1.46A 5vulA-5wq3A:
undetectable
5vulB-5wq3A:
undetectable		 5vulA-5wq3A:
24.23
5vulB-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
 0.97A 5vulA-5x89A:
undetectable
5vulB-5x89A:
undetectable		 5vulA-5x89A:
12.70
5vulB-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.
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
 1.22A 5vulA-5xf7A:
undetectable
5vulB-5xf7A:
undetectable		 5vulA-5xf7A:
10.85
5vulB-5xf7A:
10.85
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.
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
 1.27A 5vulA-5xwdH:
undetectable
5vulB-5xwdH:
undetectable		 5vulA-5xwdH:
9.59
5vulB-5xwdH:
9.59