SIMILAR PATTERNS OF AMINO ACIDS FOR 3NLO_B_H4BB760_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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 673
PHE A 681
GLU A 649
VAL A 667
 None
 1.27A 3nloA-1c4kA:
0.0
3nloB-1c4kA:
0.0		 3nloA-1c4kA:
19.07
3nloB-1c4kA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 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 3nloA-1dvkA:
1.7
3nloB-1dvkA:
1.4		 3nloA-1dvkA:
16.94
3nloB-1dvkA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 3nloA-1flgA:
0.0
3nloB-1flgA:
0.0		 3nloA-1flgA:
19.93
3nloB-1flgA:
19.93
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.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 258
PHE A 211
MET A 268
VAL A 177
 None
HSO  A 183 ( 3.5A)
None
None
 1.24A 3nloA-1h3jA:
undetectable
3nloB-1h3jA:
0.0		 3nloA-1h3jA:
22.61
3nloB-1h3jA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.37A 3nloA-1kh2A:
0.0
3nloB-1kh2A:
0.1		 3nloA-1kh2A:
22.81
3nloB-1kh2A:
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.
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
 1.33A 3nloA-1l5jA:
0.0
3nloB-1l5jA:
0.0		 3nloA-1l5jA:
19.31
3nloB-1l5jA:
19.31
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)
 0.62A 3nloA-1lzxA:
62.6
3nloB-1lzxA:
61.9		 3nloA-1lzxA:
99.76
3nloB-1lzxA:
99.76
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 160
GLU A 157
ARG A 318
VAL A 163
 None
 1.41A 3nloA-1mnsA:
0.0
3nloB-1mnsA:
0.0		 3nloA-1mnsA:
21.59
3nloB-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 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.11A 3nloA-1mzbA:
0.4
3nloB-1mzbA:
0.9		 3nloA-1mzbA:
15.88
3nloB-1mzbA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.07A 3nloA-1pduA:
undetectable
3nloB-1pduA:
undetectable		 3nloA-1pduA:
21.29
3nloB-1pduA:
21.29
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.49A 3nloA-1vmkA:
undetectable
3nloB-1vmkA:
undetectable		 3nloA-1vmkA:
21.48
3nloB-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
 1.16A 3nloA-1wf0A:
undetectable
3nloB-1wf0A:
undetectable		 3nloA-1wf0A:
11.85
3nloB-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 3nloA-1wqlB:
undetectable
3nloB-1wqlB:
undetectable		 3nloA-1wqlB:
19.79
3nloB-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
 1.06A 3nloA-2b39A:
undetectable
3nloB-2b39A:
undetectable		 3nloA-2b39A:
13.58
3nloB-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
 1.48A 3nloA-2b4xI:
undetectable
3nloB-2b4xI:
undetectable		 3nloA-2b4xI:
22.27
3nloB-2b4xI:
22.27
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.
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
 1.27A 3nloA-2fjaA:
undetectable
3nloB-2fjaA:
undetectable		 3nloA-2fjaA:
21.87
3nloB-2fjaA:
21.87
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B 788
GLU A 360
ARG A  62
VAL A 367
 None
 1.36A 3nloA-2fjaB:
undetectable
3nloB-2fjaB:
undetectable		 3nloA-2fjaB:
18.25
3nloB-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.
2hqv AGR_C_4470P

(Agrobacterium
fabrum) 		PF06228
(ChuX_HutX) 		4 PHE A 178
GLU A  78
ARG A 182
VAL A 147
 None
 1.48A 3nloA-2hqvA:
undetectable
3nloB-2hqvA:
undetectable		 3nloA-2hqvA:
17.48
3nloB-2hqvA:
17.48
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.
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
 1.36A 3nloA-2i9uA:
undetectable
3nloB-2i9uA:
0.4		 3nloA-2i9uA:
20.97
3nloB-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.
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
 1.46A 3nloA-2vy0A:
undetectable
3nloB-2vy0A:
undetectable		 3nloA-2vy0A:
20.00
3nloB-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
 1.45A 3nloA-2w4oA:
undetectable
3nloB-2w4oA:
undetectable		 3nloA-2w4oA:
20.52
3nloB-2w4oA:
20.52
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.
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
 1.48A 3nloA-2xhyA:
undetectable
3nloB-2xhyA:
undetectable		 3nloA-2xhyA:
20.63
3nloB-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
 1.34A 3nloA-2xvgA:
undetectable
3nloB-2xvgA:
undetectable		 3nloA-2xvgA:
19.80
3nloB-2xvgA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.35A 3nloA-2ywbA:
undetectable
3nloB-2ywbA:
undetectable		 3nloA-2ywbA:
20.60
3nloB-2ywbA:
20.60
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.
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
 1.40A 3nloA-2z11A:
undetectable
3nloB-2z11A:
undetectable		 3nloA-2z11A:
17.75
3nloB-2z11A:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 3nloA-3ahiA:
undetectable
3nloB-3ahiA:
undetectable		 3nloA-3ahiA:
18.53
3nloB-3ahiA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nloA-3b7fA:
undetectable
3nloB-3b7fA:
undetectable		 3nloA-3b7fA:
20.70
3nloB-3b7fA:
20.70
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.
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
 1.50A 3nloA-3bitA:
undetectable
3nloB-3bitA:
1.3		 3nloA-3bitA:
23.51
3nloB-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
 1.13A 3nloA-3d2wA:
undetectable
3nloB-3d2wA:
undetectable		 3nloA-3d2wA:
12.22
3nloB-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.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.45A 3nloA-3g0qA:
undetectable
3nloB-3g0qA:
undetectable		 3nloA-3g0qA:
22.03
3nloB-3g0qA:
22.03
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 3nloA-3gyxB:
undetectable
3nloB-3gyxB:
undetectable		 3nloA-3gyxB:
16.67
3nloB-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
 1.45A 3nloA-3ma6A:
undetectable
3nloB-3ma6A:
undetectable		 3nloA-3ma6A:
21.31
3nloB-3ma6A:
21.31
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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
 None
 1.45A 3nloA-3n3kA:
undetectable
3nloB-3n3kA:
undetectable		 3nloA-3n3kA:
20.64
3nloB-3n3kA:
20.64
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.
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 3nloA-3nerA:
undetectable
3nloB-3nerA:
undetectable		 3nloA-3nerA:
14.93
3nloB-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.
3nok GLUTAMINYL CYCLASE

(Myxococcus
xanthus) 		PF05096
(Glu_cyclase_2) 		4 PHE A 238
GLU A  36
ARG A 236
VAL A 250
 None
 1.46A 3nloA-3nokA:
undetectable
3nloB-3nokA:
undetectable		 3nloA-3nokA:
20.86
3nloB-3nokA:
20.86
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.20A 3nloA-3owcA:
undetectable
3nloB-3owcA:
undetectable		 3nloA-3owcA:
16.47
3nloB-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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 249
PHE A 203
MET A 259
VAL A 169
 None
 1.26A 3nloA-3q3uA:
undetectable
3nloB-3q3uA:
undetectable		 3nloA-3q3uA:
20.86
3nloB-3q3uA:
20.86
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.31A 3nloA-3rjyA:
undetectable
3nloB-3rjyA:
0.8		 3nloA-3rjyA:
21.27
3nloB-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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.36A 3nloA-3ti8A:
undetectable
3nloB-3ti8A:
undetectable		 3nloA-3ti8A:
22.79
3nloB-3ti8A:
22.79
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.
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
 1.29A 3nloA-3tquA:
undetectable
3nloB-3tquA:
undetectable		 3nloA-3tquA:
19.05
3nloB-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
 1.37A 3nloA-3uxmA:
undetectable
3nloB-3uxmA:
undetectable		 3nloA-3uxmA:
20.29
3nloB-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 3nloA-4bgdC:
undetectable
3nloB-4bgdC:
undetectable		 3nloA-4bgdC:
20.99
3nloB-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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 PHE A1118
GLU A1032
ARG A1065
VAL A1046
 None
 1.45A 3nloA-4d8oA:
undetectable
3nloB-4d8oA:
undetectable		 3nloA-4d8oA:
19.50
3nloB-4d8oA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nloA-4fnqA:
undetectable
3nloB-4fnqA:
undetectable		 3nloA-4fnqA:
20.38
3nloB-4fnqA:
20.38
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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 PHE A 164
GLU A 189
ARG A 160
VAL A 178
 None
 1.47A 3nloA-4fxqA:
undetectable
3nloB-4fxqA:
undetectable		 3nloA-4fxqA:
23.03
3nloB-4fxqA:
23.03
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.36A 3nloA-4g76A:
undetectable
3nloB-4g76A:
undetectable		 3nloA-4g76A:
20.23
3nloB-4g76A:
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.
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
 1.00A 3nloA-4l37B:
undetectable
3nloB-4l37B:
undetectable		 3nloA-4l37B:
20.69
3nloB-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.42A 3nloA-4pneA:
undetectable
3nloB-4pneA:
undetectable		 3nloA-4pneA:
21.36
3nloB-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
 1.20A 3nloA-4xj6A:
undetectable
3nloB-4xj6A:
undetectable		 3nloA-4xj6A:
20.85
3nloB-4xj6A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.15A 3nloA-4xj6A:
undetectable
3nloB-4xj6A:
undetectable		 3nloA-4xj6A:
20.85
3nloB-4xj6A:
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.42A 3nloA-4ylrA:
undetectable
3nloB-4ylrA:
undetectable		 3nloA-4ylrA:
22.81
3nloB-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
 1.33A 3nloA-4yplA:
undetectable
3nloB-4yplA:
undetectable		 3nloA-4yplA:
21.24
3nloB-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
 1.28A 3nloA-4zvaA:
undetectable
3nloB-4zvaA:
undetectable		 3nloA-4zvaA:
18.88
3nloB-4zvaA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.35A 3nloA-4zvbA:
undetectable
3nloB-4zvbA:
undetectable		 3nloA-4zvbA:
17.06
3nloB-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.39A 3nloA-5by3A:
undetectable
3nloB-5by3A:
undetectable		 3nloA-5by3A:
19.82
3nloB-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
 1.48A 3nloA-5c6gA:
3.4
3nloB-5c6gA:
undetectable		 3nloA-5c6gA:
21.86
3nloB-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
 1.44A 3nloA-5ev7A:
undetectable
3nloB-5ev7A:
undetectable		 3nloA-5ev7A:
20.59
3nloB-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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 GLU A 418
ARG A 316
VAL A 438
TRP A 439
 None
BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
 1.34A 3nloA-5fjnA:
undetectable
3nloB-5fjnA:
undetectable		 3nloA-5fjnA:
23.27
3nloB-5fjnA:
23.27
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.
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
 1.08A 3nloA-5m8tA:
undetectable
3nloB-5m8tA:
undetectable		 3nloA-5m8tA:
22.22
3nloB-5m8tA:
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.
5noi ROUNDABOUT HOMOLOG 2

(Homo sapiens) 		no annotation 4 PHE A 316
GLU A 336
VAL A 345
TRP A 347
 None
 1.39A 3nloA-5noiA:
undetectable
3nloB-5noiA:
undetectable		 3nloA-5noiA:
19.34
3nloB-5noiA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.03A 3nloA-5x89A:
undetectable
3nloB-5x89A:
undetectable		 3nloA-5x89A:
12.96
3nloB-5x89A:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 PHE A  69
GLU A  95
VAL A  37
TRP A  47
 None
 1.34A 3nloA-5xctA:
undetectable
3nloB-5xctA:
undetectable		 3nloA-5xctA:
19.69
3nloB-5xctA:
19.69
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.
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
 1.28A 3nloA-5xwdH:
undetectable
3nloB-5xwdH:
undetectable		 3nloA-5xwdH:
9.59
3nloB-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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 GLU A 322
ARG A 331
VAL A 317
TRP A 316
 None
None
UDP  A 501 ( 4.8A)
None
 1.31A 3nloA-6bk1A:
undetectable
3nloB-6bk1A:
undetectable		 3nloA-6bk1A:
13.48
3nloB-6bk1A:
13.48
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.
6dxp -

(-) 		no annotation 4 PHE A 170
GLU A 174
ARG A 157
VAL A 152
 None
 1.37A 3nloA-6dxpA:
undetectable
3nloB-6dxpA:
undetectable		 3nloA-6dxpA:
undetectable
3nloB-6dxpA:
undetectable