SIMILAR PATTERNS OF AMINO ACIDS FOR 5AD4_A_H4BA760_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 ARG A  68
VAL A  61
PHE A  58
GLU A  56
 None
None
HEM  A 201 (-4.8A)
None
 1.41A 5ad4A-1cyoA:
0.0
5ad4B-1cyoA:
0.0		 5ad4A-1cyoA:
12.05
5ad4B-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 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.46A 5ad4A-1dvkA:
1.6
5ad4B-1dvkA:
1.4		 5ad4A-1dvkA:
17.18
5ad4B-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 ARG A   2
VAL A  87
TRP A  66
GLU A  76
 None
 1.47A 5ad4A-1fhuA:
undetectable
5ad4B-1fhuA:
0.0		 5ad4A-1fhuA:
25.23
5ad4B-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 VAL A  41
TRP A 521
PHE A 501
GLU A 519
 None
 1.23A 5ad4A-1flgA:
0.0
5ad4B-1flgA:
0.0		 5ad4A-1flgA:
19.67
5ad4B-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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 VAL A 464
TRP A 719
PHE A 715
GLU A 543
 None
 1.45A 5ad4A-1itkA:
0.0
5ad4B-1itkA:
1.0		 5ad4A-1itkA:
22.22
5ad4B-1itkA:
22.22
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 MET A 815
VAL A 707
TRP A 819
GLU A 814
 None
 1.23A 5ad4A-1jqoA:
0.0
5ad4B-1jqoA:
0.0		 5ad4A-1jqoA:
18.32
5ad4B-1jqoA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 ARG A 282
VAL A 226
PHE A 220
GLU A 222
 None
 1.40A 5ad4A-1kh2A:
0.0
5ad4B-1kh2A:
0.1		 5ad4A-1kh2A:
22.65
5ad4B-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 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.26A 5ad4A-1l5jA:
0.0
5ad4B-1l5jA:
0.0		 5ad4A-1l5jA:
19.28
5ad4B-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)
 0.57A 5ad4A-1lzxA:
62.8
5ad4B-1lzxA:
61.9		 5ad4A-1lzxA:
100.00
5ad4B-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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 318
VAL A 163
PHE A 160
GLU A 157
 None
 1.46A 5ad4A-1mnsA:
undetectable
5ad4B-1mnsA:
undetectable		 5ad4A-1mnsA:
21.59
5ad4B-1mnsA:
21.59
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.12A 5ad4A-1mzbA:
undetectable
5ad4B-1mzbA:
undetectable		 5ad4A-1mzbA:
16.59
5ad4B-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 MET A 440
VAL A 401
TRP A 435
PHE A 432
 None
 0.82A 5ad4A-1pduA:
undetectable
5ad4B-1pduA:
undetectable		 5ad4A-1pduA:
21.05
5ad4B-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 MET A 249
VAL A 267
PHE A 206
GLU A 201
 None
 1.33A 5ad4A-1qb4A:
undetectable
5ad4B-1qb4A:
3.7		 5ad4A-1qb4A:
19.22
5ad4B-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 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.47A 5ad4A-1t1jA:
undetectable
5ad4B-1t1jA:
undetectable		 5ad4A-1t1jA:
16.38
5ad4B-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 VAL A 122
TRP A 277
PHE A 254
GLU A 250
 None
 1.46A 5ad4A-1tkiA:
undetectable
5ad4B-1tkiA:
undetectable		 5ad4A-1tkiA:
20.23
5ad4B-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 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.39A 5ad4A-1vmkA:
undetectable
5ad4B-1vmkA:
undetectable		 5ad4A-1vmkA:
21.48
5ad4B-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 MET A  17
VAL A  35
PHE A  26
GLU A  21
 None
 1.23A 5ad4A-1wf0A:
undetectable
5ad4B-1wf0A:
undetectable		 5ad4A-1wf0A:
11.85
5ad4B-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 ARG B 156
VAL B 128
PHE B 163
GLU B  26
 None
 1.13A 5ad4A-1wqlB:
undetectable
5ad4B-1wqlB:
undetectable		 5ad4A-1wqlB:
19.79
5ad4B-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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL I 375
TRP I 225
PHE I 274
GLU I 378
 None
 1.47A 5ad4A-2b4xI:
undetectable
5ad4B-2b4xI:
undetectable		 5ad4A-2b4xI:
22.01
5ad4B-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 ARG A 586
VAL A 578
TRP A 579
GLU A 555
 None
 1.12A 5ad4A-2fjaA:
undetectable
5ad4B-2fjaA:
undetectable		 5ad4A-2fjaA:
22.29
5ad4B-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 ARG A  62
VAL A 367
TRP B 788
GLU A 360
 None
 1.37A 5ad4A-2fjaA:
undetectable
5ad4B-2fjaA:
undetectable		 5ad4A-2fjaA:
22.29
5ad4B-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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
 1.35A 5ad4A-2ggmA:
undetectable
5ad4B-2ggmA:
undetectable		 5ad4A-2ggmA:
17.43
5ad4B-2ggmA:
17.43
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.
2hqv AGR_C_4470P

(Agrobacterium
fabrum) 		PF06228
(ChuX_HutX) 		4 ARG A 182
VAL A 147
PHE A 178
GLU A  78
 None
 1.44A 5ad4A-2hqvA:
undetectable
5ad4B-2hqvA:
undetectable		 5ad4A-2hqvA:
17.72
5ad4B-2hqvA:
17.72
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 ARG A 202
TRP A  93
PHE A  99
GLU A 101
 GUN  A 503 (-3.7A)
None
None
None
 1.25A 5ad4A-2i9uA:
undetectable
5ad4B-2i9uA:
0.4		 5ad4A-2i9uA:
20.97
5ad4B-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.
2mz8 SIGMA FACTOR-BINDING
PROTEIN CRL

(Salmonella
enterica) 		PF07417
(Crl) 		4 ARG A  51
VAL A  40
TRP A  54
GLU A  89
 None
 1.07A 5ad4A-2mz8A:
undetectable
5ad4B-2mz8A:
undetectable		 5ad4A-2mz8A:
16.31
5ad4B-2mz8A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 VAL A 267
TRP A 272
PHE A 303
GLU A 298
 None
 1.08A 5ad4A-2nozA:
undetectable
5ad4B-2nozA:
undetectable		 5ad4A-2nozA:
22.30
5ad4B-2nozA:
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.
2o5w DATP
PYROPHOSPHOHYDROLASE

(Escherichia
coli) 		PF00293
(NUDIX) 		4 ARG A  77
VAL A  15
PHE A 145
GLU A 143
 None
 1.47A 5ad4A-2o5wA:
undetectable
5ad4B-2o5wA:
undetectable		 5ad4A-2o5wA:
18.71
5ad4B-2o5wA:
18.71
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
CA  A1001 ( 4.9A)
None
None
 1.35A 5ad4A-2obhA:
undetectable
5ad4B-2obhA:
undetectable		 5ad4A-2obhA:
17.09
5ad4B-2obhA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 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 VAL A 127
TRP A 129
PHE A  97
GLU A 116
 None
 1.31A 5ad4A-2rikA:
undetectable
5ad4B-2rikA:
undetectable		 5ad4A-2rikA:
22.52
5ad4B-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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.46A 5ad4A-2vy0A:
undetectable
5ad4B-2vy0A:
undetectable		 5ad4A-2vy0A:
20.00
5ad4B-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 ARG A 278
VAL A 269
TRP A 266
PHE A 261
 None
 1.49A 5ad4A-2w4oA:
undetectable
5ad4B-2w4oA:
undetectable		 5ad4A-2w4oA:
20.26
5ad4B-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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ARG A 697
VAL A 717
PHE A 698
GLU A 722
 None
 1.39A 5ad4A-2xvgA:
undetectable
5ad4B-2xvgA:
undetectable		 5ad4A-2xvgA:
19.68
5ad4B-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 ARG A 211
VAL A 239
PHE A 309
GLU A 305
 None
 1.44A 5ad4A-2ywbA:
undetectable
5ad4B-2ywbA:
undetectable		 5ad4A-2ywbA:
21.54
5ad4B-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 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.45A 5ad4A-2z11A:
undetectable
5ad4B-2z11A:
undetectable		 5ad4A-2z11A:
17.58
5ad4B-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 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.25A 5ad4A-2zf8A:
undetectable
5ad4B-2zf8A:
undetectable		 5ad4A-2zf8A:
21.35
5ad4B-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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.44A 5ad4A-3b7fA:
undetectable
5ad4B-3b7fA:
undetectable		 5ad4A-3b7fA:
20.87
5ad4B-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 ARG A 105
VAL A  35
TRP A 147
PHE A 117
 None
 1.48A 5ad4A-3bitA:
undetectable
5ad4B-3bitA:
undetectable		 5ad4A-3bitA:
23.51
5ad4B-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 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 0.99A 5ad4A-3d2wA:
undetectable
5ad4B-3d2wA:
undetectable		 5ad4A-3d2wA:
12.22
5ad4B-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 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.43A 5ad4A-3ddlA:
undetectable
5ad4B-3ddlA:
undetectable		 5ad4A-3ddlA:
20.14
5ad4B-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 ARG A 260
TRP A 248
PHE A 243
GLU A 245
 None
 1.24A 5ad4A-3f3zA:
undetectable
5ad4B-3f3zA:
undetectable		 5ad4A-3f3zA:
21.03
5ad4B-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 260
VAL A 251
TRP A 248
PHE A 243
 None
 1.47A 5ad4A-3f3zA:
undetectable
5ad4B-3f3zA:
undetectable		 5ad4A-3f3zA:
21.03
5ad4B-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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 ARG A  27
VAL A  56
PHE A  67
GLU A  65
 None
 1.41A 5ad4A-3gs3A:
undetectable
5ad4B-3gs3A:
undetectable		 5ad4A-3gs3A:
20.28
5ad4B-3gs3A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ARG A  66
VAL A 387
TRP B  88
GLU A 380
 None
 1.32A 5ad4A-3gyxA:
undetectable
5ad4B-3gyxA:
undetectable		 5ad4A-3gyxA:
20.98
5ad4B-3gyxA:
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.
3hk4 MLR7391 PROTEIN

(Mesorhizobium
loti) 		PF12680
(SnoaL_2) 		4 MET A   1
VAL A 105
PHE A  78
GLU A   5
 None
 1.47A 5ad4A-3hk4A:
undetectable
5ad4B-3hk4A:
undetectable		 5ad4A-3hk4A:
15.26
5ad4B-3hk4A:
15.26
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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 MET A  20
ARG A 118
TRP A  51
PHE A  34
 1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
1PE  A 131 (-4.5A)
 1.48A 5ad4A-3hzpA:
undetectable
5ad4B-3hzpA:
undetectable		 5ad4A-3hzpA:
14.18
5ad4B-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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 MET A 786
VAL A 832
TRP A 819
GLU A 787
 None
 1.42A 5ad4A-3lltA:
undetectable
5ad4B-3lltA:
undetectable		 5ad4A-3lltA:
21.60
5ad4B-3lltA:
21.60
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.44A 5ad4A-3ma6A:
undetectable
5ad4B-3ma6A:
undetectable		 5ad4A-3ma6A:
21.55
5ad4B-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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.23A 5ad4A-3owcA:
undetectable
5ad4B-3owcA:
undetectable		 5ad4A-3owcA:
16.47
5ad4B-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 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.40A 5ad4A-3q63A:
undetectable
5ad4B-3q63A:
undetectable		 5ad4A-3q63A:
13.71
5ad4B-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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.34A 5ad4A-3rjyA:
undetectable
5ad4B-3rjyA:
undetectable		 5ad4A-3rjyA:
21.27
5ad4B-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 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.50A 5ad4A-3sxfA:
undetectable
5ad4B-3sxfA:
undetectable		 5ad4A-3sxfA:
20.77
5ad4B-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 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.33A 5ad4A-3ti8A:
undetectable
5ad4B-3ti8A:
undetectable		 5ad4A-3ti8A:
22.64
5ad4B-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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.22A 5ad4A-3tquA:
undetectable
5ad4B-3tquA:
undetectable		 5ad4A-3tquA:
19.05
5ad4B-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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ARG A 388
VAL A 385
PHE A 311
GLU A 267
 None
 1.44A 5ad4A-3wa1A:
undetectable
5ad4B-3wa1A:
undetectable		 5ad4A-3wa1A:
22.22
5ad4B-3wa1A:
22.22
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2274
TRP C2314
PHE C2329
GLU C2310
 None
 1.35A 5ad4A-4bgdC:
undetectable
5ad4B-4bgdC:
undetectable		 5ad4A-4bgdC:
20.99
5ad4B-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 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 1.12A 5ad4A-4bs2A:
undetectable
5ad4B-4bs2A:
undetectable		 5ad4A-4bs2A:
15.87
5ad4B-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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 ARG A 160
VAL A 178
PHE A 164
GLU A 189
 None
 1.49A 5ad4A-4fxqA:
undetectable
5ad4B-4fxqA:
undetectable		 5ad4A-4fxqA:
22.02
5ad4B-4fxqA:
22.02
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 MET A 258
VAL A 265
TRP A  62
PHE A  85
 None
 1.36A 5ad4A-4g76A:
undetectable
5ad4B-4g76A:
undetectable		 5ad4A-4g76A:
19.86
5ad4B-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 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 0.99A 5ad4A-4l37B:
undetectable
5ad4B-4l37B:
undetectable		 5ad4A-4l37B:
20.69
5ad4B-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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.35A 5ad4A-4mh1A:
undetectable
5ad4B-4mh1A:
undetectable		 5ad4A-4mh1A:
21.16
5ad4B-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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.12A 5ad4A-4mlnA:
undetectable
5ad4B-4mlnA:
undetectable		 5ad4A-4mlnA:
16.55
5ad4B-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 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.18A 5ad4A-4n6wA:
undetectable
5ad4B-4n6wA:
undetectable		 5ad4A-4n6wA:
19.62
5ad4B-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.44A 5ad4A-4pneA:
undetectable
5ad4B-4pneA:
undetectable		 5ad4A-4pneA:
21.36
5ad4B-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 ARG A 280
VAL A 309
TRP A 267
PHE A 268
 None
 1.10A 5ad4A-4xj5A:
undetectable
5ad4B-4xj5A:
undetectable		 5ad4A-4xj5A:
22.45
5ad4B-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 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.01A 5ad4A-4xj6A:
undetectable
5ad4B-4xj6A:
undetectable		 5ad4A-4xj6A:
21.06
5ad4B-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 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.13A 5ad4A-4xj6A:
undetectable
5ad4B-4xj6A:
undetectable		 5ad4A-4xj6A:
21.06
5ad4B-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 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.41A 5ad4A-4ylrA:
undetectable
5ad4B-4ylrA:
undetectable		 5ad4A-4ylrA:
22.81
5ad4B-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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		4 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-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 ARG A 505
VAL A 736
TRP A 732
GLU A 731
 None
 1.33A 5ad4A-5by3A:
undetectable
5ad4B-5by3A:
undetectable		 5ad4A-5by3A:
19.82
5ad4B-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 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.44A 5ad4A-5c6gB:
undetectable
5ad4B-5c6gB:
undetectable		 5ad4A-5c6gB:
18.69
5ad4B-5c6gB:
18.69
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.
5d8i SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin) 		4 ARG A 125
VAL A  53
PHE A  68
GLU A 115
 None
 1.21A 5ad4A-5d8iA:
undetectable
5ad4B-5d8iA:
undetectable		 5ad4A-5d8iA:
23.33
5ad4B-5d8iA:
23.33
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.31A 5ad4A-5kn8A:
undetectable
5ad4B-5kn8A:
undetectable		 5ad4A-5kn8A:
22.28
5ad4B-5kn8A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 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 VAL A 481
TRP A 736
PHE A 732
GLU A 560
 None
 1.48A 5ad4A-5kqiA:
undetectable
5ad4B-5kqiA:
undetectable		 5ad4A-5kqiA:
20.85
5ad4B-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 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.37A 5ad4A-5m7rA:
undetectable
5ad4B-5m7rA:
0.8		 5ad4A-5m7rA:
18.13
5ad4B-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 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.04A 5ad4A-5m8tA:
undetectable
5ad4B-5m8tA:
undetectable		 5ad4A-5m8tA:
20.00
5ad4B-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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 VAL A  37
TRP A  47
PHE A  69
GLU A  95
 None
 1.38A 5ad4A-5xctA:
undetectable
5ad4B-5xctA:
undetectable		 5ad4A-5xctA:
16.71
5ad4B-5xctA:
16.71
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 ARG A 129
VAL A  65
PHE A 113
GLU A 106
 None
 1.22A 5ad4A-5xf7A:
undetectable
5ad4B-5xf7A:
undetectable		 5ad4A-5xf7A:
10.85
5ad4B-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 MET H 105
VAL D  98
TRP D  91
TRP H  49
 None
 1.14A 5ad4A-5xwdH:
undetectable
5ad4B-5xwdH:
undetectable		 5ad4A-5xwdH:
9.59
5ad4B-5xwdH:
9.59
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 MET A 393
VAL A 431
TRP A 421
GLU A 394
 None
 1.43A 5ad4A-6fylA:
undetectable
5ad4B-6fylA:
undetectable		 5ad4A-6fylA:
undetectable
5ad4B-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 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.43A 5ad4A-6fyoA:
undetectable
5ad4B-6fyoA:
undetectable		 5ad4A-6fyoA:
undetectable
5ad4B-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 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.34A 5ad4A-6fyvA:
undetectable
5ad4B-6fyvA:
undetectable		 5ad4A-6fyvA:
undetectable
5ad4B-6fyvA:
undetectable