SIMILAR PATTERNS OF AMINO ACIDS FOR 4NOS_C_H4BC2011_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.
1ebb PHOSPHATASE

(Geobacillus
stearothermophilus) 		PF00300
(His_Phos_1) 		4 ILE A  97
TRP A  89
PHE A 108
GLU A  90
 None
SO4  A 304 ( 4.8A)
None
None
 1.49A 4nosC-1ebbA:
0.0
4nosD-1ebbA:
0.2		 4nosC-1ebbA:
20.79
4nosD-1ebbA:
20.79
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.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 MET A  73
ARG A  59
ILE A  36
PHE A  31
 None
ZN  A  81 ( 4.9A)
None
None
 1.15A 4nosC-1hraA:
undetectable
4nosD-1hraA:
undetectable		 4nosC-1hraA:
9.60
4nosD-1hraA:
9.60
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.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 ILE A  72
TRP A  36
PHE A  12
GLU A  35
 None
 1.44A 4nosC-1iktA:
0.0
4nosD-1iktA:
0.0		 4nosC-1iktA:
15.67
4nosD-1iktA:
15.67
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 ARG A 326
ILE A 358
TRP A 359
GLU A 332
 None
 1.24A 4nosC-1j0hA:
0.0
4nosD-1j0hA:
0.0		 4nosC-1j0hA:
22.24
4nosD-1j0hA:
22.24
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.23A 4nosC-1js6A:
0.3
4nosD-1js6A:
0.3		 4nosC-1js6A:
20.50
4nosD-1js6A:
20.50
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.43A 4nosC-1kexA:
undetectable
4nosD-1kexA:
undetectable		 4nosC-1kexA:
18.21
4nosD-1kexA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 ILE A 152
TRP A 307
PHE A 284
GLU A 280
 None
 1.38A 4nosC-1kobA:
undetectable
4nosD-1kobA:
undetectable		 4nosC-1kobA:
22.63
4nosD-1kobA:
22.63
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.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 MET A 215
ARG A  90
ILE A 205
PHE A 254
 None
 1.33A 4nosC-1kp0A:
0.0
4nosD-1kp0A:
0.0		 4nosC-1kp0A:
20.58
4nosD-1kp0A:
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.
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
 1.37A 4nosC-1l5jA:
0.0
4nosD-1l5jA:
0.0		 4nosC-1l5jA:
19.37
4nosD-1l5jA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.34A 4nosC-1nj1A:
0.2
4nosD-1nj1A:
0.0		 4nosC-1nj1A:
22.54
4nosD-1nj1A:
22.54
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.11A 4nosC-1nsaA:
undetectable
4nosD-1nsaA:
undetectable		 4nosC-1nsaA:
21.91
4nosD-1nsaA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		4 ARG A 291
ILE A 273
PHE A 432
GLU A 436
 None
FAD  A 652 (-3.6A)
None
None
 1.27A 4nosC-1o5wA:
undetectable
4nosD-1o5wA:
undetectable		 4nosC-1o5wA:
21.58
4nosD-1o5wA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.27A 4nosC-1qw5A:
61.5
4nosD-1qw5A:
61.4		 4nosC-1qw5A:
86.90
4nosD-1qw5A:
86.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		4 ARG A 192
ILE A 112
TRP A 109
GLU A 110
 None
 1.30A 4nosC-1vgqA:
undetectable
4nosD-1vgqA:
undetectable		 4nosC-1vgqA:
21.63
4nosD-1vgqA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.24A 4nosC-1w1kA:
undetectable
4nosD-1w1kA:
undetectable		 4nosC-1w1kA:
21.81
4nosD-1w1kA:
21.81
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 ARG A 288
ILE A  73
TRP A  74
GLU A  33
 GOL  A3020 (-2.5A)
None
GOL  A3020 (-4.3A)
None
 1.44A 4nosC-1yi7A:
undetectable
4nosD-1yi7A:
undetectable		 4nosC-1yi7A:
21.12
4nosD-1yi7A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		4 ARG A1280
ILE A1074
TRP A1075
GLU A1034
 None
 1.42A 4nosC-1yrzA:
undetectable
4nosD-1yrzA:
undetectable		 4nosC-1yrzA:
21.76
4nosD-1yrzA:
21.76
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.98A 4nosC-1zliA:
undetectable
4nosD-1zliA:
undetectable		 4nosC-1zliA:
21.15
4nosD-1zliA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 ILE B  13
TRP A  14
PHE A  17
GLU A  15
 None
 1.36A 4nosC-2b87B:
undetectable
4nosD-2b87B:
undetectable		 4nosC-2b87B:
8.79
4nosD-2b87B:
8.79
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 MET A 164
ILE A 176
PHE A 138
GLU A 167
 None
 1.46A 4nosC-2bwgA:
undetectable
4nosD-2bwgA:
undetectable		 4nosC-2bwgA:
20.75
4nosD-2bwgA:
20.75
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 ARG A  55
ILE A 294
PHE A 299
GLU A 297
 None
 1.33A 4nosC-2cy7A:
undetectable
4nosD-2cy7A:
undetectable		 4nosC-2cy7A:
22.25
4nosD-2cy7A:
22.25
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 ARG A 344
ILE A 339
PHE A 181
GLU A 331
 None
 1.32A 4nosC-2dpyA:
undetectable
4nosD-2dpyA:
undetectable		 4nosC-2dpyA:
22.27
4nosD-2dpyA:
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 ILE A 320
TRP A 288
PHE A 236
GLU A 239
 None
None
None
MG  A2001 ( 2.9A)
 1.47A 4nosC-2dw6A:
undetectable
4nosD-2dw6A:
undetectable		 4nosC-2dw6A:
23.23
4nosD-2dw6A:
23.23
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ARG A 256
ILE A 174
PHE A 257
GLU A 170
 None
 1.30A 4nosC-2e3zA:
undetectable
4nosD-2e3zA:
undetectable		 4nosC-2e3zA:
22.67
4nosD-2e3zA:
22.67
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.15A 4nosC-2jc6A:
undetectable
4nosD-2jc6A:
undetectable		 4nosC-2jc6A:
20.32
4nosD-2jc6A:
20.32
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.
2kj8 PUTATIVE PROPHAGE
CPS-53 INTEGRASE

(Escherichia
coli) 		PF14659
(Phage_int_SAM_3) 		4 ARG A  65
ILE A  38
PHE A  62
GLU A  57
 None
 1.35A 4nosC-2kj8A:
undetectable
4nosD-2kj8A:
undetectable		 4nosC-2kj8A:
14.39
4nosD-2kj8A:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2php UNCHARACTERIZED
PROTEIN MJ0236

(Methanocaldococcus
jannaschii) 		PF10120
(ThiP_synth) 		4 ARG A 356
ILE A 318
PHE A 354
GLU A 367
 None
 1.26A 4nosC-2phpA:
undetectable
4nosD-2phpA:
undetectable		 4nosC-2phpA:
18.66
4nosD-2phpA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 ARG A 102
ILE A 106
PHE A 104
GLU A 133
 None
 1.49A 4nosC-2qlzA:
undetectable
4nosD-2qlzA:
undetectable		 4nosC-2qlzA:
16.86
4nosD-2qlzA:
16.86
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 ARG A 405
TRP A 372
PHE A 406
GLU A 370
 None
 1.45A 4nosC-2qqoA:
undetectable
4nosD-2qqoA:
undetectable		 4nosC-2qqoA:
21.29
4nosD-2qqoA:
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ARG A  25
ILE A  17
PHE A  55
GLU A  53
 None
None
None
BU2  A 196 (-3.2A)
 1.01A 4nosC-2rfmA:
undetectable
4nosD-2rfmA:
undetectable		 4nosC-2rfmA:
19.19
4nosD-2rfmA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rrn PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF07549
(Sec_GG) 		4 ARG A 523
ILE A 512
PHE A 525
GLU A 494
 None
 1.47A 4nosC-2rrnA:
undetectable
4nosD-2rrnA:
undetectable		 4nosC-2rrnA:
11.35
4nosD-2rrnA:
11.35
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		4 ILE A 153
TRP A 116
PHE A 196
GLU A 117
 None
None
None
GOL  A1420 ( 4.5A)
 1.46A 4nosC-2vx4A:
undetectable
4nosD-2vx4A:
undetectable		 4nosC-2vx4A:
21.97
4nosD-2vx4A:
21.97
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 205
TRP A 360
PHE A 337
GLU A 333
 None
 1.40A 4nosC-2x4fA:
undetectable
4nosD-2x4fA:
undetectable		 4nosC-2x4fA:
23.08
4nosD-2x4fA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ARG A 420
ILE A 433
TRP A 337
PHE A 436
 None
 1.34A 4nosC-2yeqA:
undetectable
4nosD-2yeqA:
undetectable		 4nosC-2yeqA:
24.36
4nosD-2yeqA:
24.36
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 ARG A  17
ILE A  28
PHE A 358
GLU A 323
 None
 1.44A 4nosC-2ywbA:
undetectable
4nosD-2ywbA:
undetectable		 4nosC-2ywbA:
21.06
4nosD-2ywbA:
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.
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
 1.41A 4nosC-2zf8A:
undetectable
4nosD-2zf8A:
undetectable		 4nosC-2zf8A:
18.96
4nosD-2zf8A:
18.96
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 ARG A 258
ILE A 253
PHE A 267
GLU A 221
 None
 1.40A 4nosC-3a4tA:
undetectable
4nosD-3a4tA:
undetectable		 4nosC-3a4tA:
19.59
4nosD-3a4tA:
19.59
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 ARG A 290
ILE A  72
TRP A  73
GLU A  32
 B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
None
 1.46A 4nosC-3c2uA:
undetectable
4nosD-3c2uA:
undetectable		 4nosC-3c2uA:
20.97
4nosD-3c2uA:
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.
3chl ALPHA-14 GIARDIN

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 ARG A 198
ILE A 111
PHE A 239
GLU A 275
 None
 1.45A 4nosC-3chlA:
undetectable
4nosD-3chlA:
undetectable		 4nosC-3chlA:
21.82
4nosD-3chlA:
21.82
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 0.95A 4nosC-3ckbA:
undetectable
4nosD-3ckbA:
undetectable		 4nosC-3ckbA:
20.21
4nosD-3ckbA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.11A 4nosC-3dfaA:
undetectable
4nosD-3dfaA:
undetectable		 4nosC-3dfaA:
20.41
4nosD-3dfaA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 MET A 120
ARG A 381
ILE A 462
TRP A 463
 H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 (-4.9A)
H4B  A 902 ( 3.6A)
 0.30A 4nosC-3e7gA:
61.3
4nosD-3e7gA:
61.4		 4nosC-3e7gA:
99.76
4nosD-3e7gA:
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ARG A 440
ILE A 391
PHE A 353
GLU A 395
 None
 1.25A 4nosC-3g3oA:
undetectable
4nosD-3g3oA:
undetectable		 4nosC-3g3oA:
20.65
4nosD-3g3oA:
20.65
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.
3ggy INCREASED SODIUM
TOLERANCE PROTEIN 1

(Saccharomyces
cerevisiae) 		PF03398
(Ist1) 		4 ARG A 110
ILE A  90
PHE A 140
GLU A  94
 None
 1.41A 4nosC-3ggyA:
undetectable
4nosD-3ggyA:
undetectable		 4nosC-3ggyA:
17.95
4nosD-3ggyA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 MET K 958
ILE K 924
TRP K 954
PHE K 972
 None
 1.27A 4nosC-3jblK:
undetectable
4nosD-3jblK:
undetectable		 4nosC-3jblK:
19.27
4nosD-3jblK:
19.27
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 MET B 410
ILE B 407
TRP B 406
TRP B 187
 None
 1.26A 4nosC-3n2zB:
undetectable
4nosD-3n2zB:
undetectable		 4nosC-3n2zB:
22.04
4nosD-3n2zB:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.46A 4nosC-3q63A:
undetectable
4nosD-3q63A:
undetectable		 4nosC-3q63A:
15.71
4nosD-3q63A:
15.71
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.21A 4nosC-3rblA:
undetectable
4nosD-3rblA:
undetectable		 4nosC-3rblA:
20.48
4nosD-3rblA:
20.48
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.18A 4nosC-4be3A:
undetectable
4nosD-4be3A:
undetectable		 4nosC-4be3A:
21.85
4nosD-4be3A:
21.85
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ARG A 207
ILE A 156
PHE A 208
GLU A 245
 None
 1.38A 4nosC-4c7vA:
undetectable
4nosD-4c7vA:
undetectable		 4nosC-4c7vA:
20.61
4nosD-4c7vA:
20.61
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.16A 4nosC-4fg8A:
undetectable
4nosD-4fg8A:
undetectable		 4nosC-4fg8A:
22.17
4nosD-4fg8A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 ILE A 175
TRP A 172
PHE A 188
GLU A 173
 None
 1.32A 4nosC-4im4A:
undetectable
4nosD-4im4A:
undetectable		 4nosC-4im4A:
21.40
4nosD-4im4A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6e UDP-2,3-DIACYLGLUCOS
AMINE
PYROPHOSPHATASE LPXI

(Caulobacter
vibrioides) 		PF06230
(DUF1009) 		4 ARG A  62
ILE A  57
PHE A 120
GLU A 114
 None
UDG  A 301 (-3.5A)
None
None
 1.15A 4nosC-4j6eA:
undetectable
4nosD-4j6eA:
undetectable		 4nosC-4j6eA:
21.97
4nosD-4j6eA:
21.97
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ILE B 422
TRP B 355
PHE B 342
GLU B 424
 None
 1.46A 4nosC-4l37B:
undetectable
4nosD-4l37B:
undetectable		 4nosC-4l37B:
20.44
4nosD-4l37B:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 MET A 360
ARG A 269
ILE A 387
PHE A 304
 None
 1.07A 4nosC-4nnzA:
undetectable
4nosD-4nnzA:
undetectable		 4nosC-4nnzA:
23.28
4nosD-4nnzA:
23.28
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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 ARG A 206
ILE A 200
TRP A 156
GLU A 157
 None
 1.29A 4nosC-4trbA:
undetectable
4nosD-4trbA:
undetectable		 4nosC-4trbA:
20.29
4nosD-4trbA:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
ILE A 271
PHE A 264
GLU A 266
 None
 1.27A 4nosC-4xj6A:
undetectable
4nosD-4xj6A:
undetectable		 4nosC-4xj6A:
23.14
4nosD-4xj6A:
23.14
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 ARG A 347
ILE A 340
TRP A 337
GLU A 338
 None
 1.47A 4nosC-4z4lA:
undetectable
4nosD-4z4lA:
undetectable		 4nosC-4z4lA:
22.24
4nosD-4z4lA:
22.24
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 ARG A 644
TRP A 185
PHE A 640
GLU A 186
 None
None
None
CA  A 801 (-2.3A)
 1.30A 4nosC-5bv9A:
undetectable
4nosD-5bv9A:
undetectable		 4nosC-5bv9A:
19.86
4nosD-5bv9A:
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.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 ILE A 114
TRP A  84
PHE A 128
GLU A  45
 None
 1.41A 4nosC-5hwtA:
undetectable
4nosD-5hwtA:
undetectable		 4nosC-5hwtA:
16.55
4nosD-5hwtA:
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.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.17A 4nosC-5j1qA:
undetectable
4nosD-5j1qA:
undetectable		 4nosC-5j1qA:
19.95
4nosD-5j1qA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jnu LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Mus musculus) 		PF01451
(LMWPc) 		4 ARG A  40
ILE A  77
PHE A  85
GLU A  80
 None
 1.36A 4nosC-5jnuA:
undetectable
4nosD-5jnuA:
undetectable		 4nosC-5jnuA:
16.71
4nosD-5jnuA:
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.
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
 1.02A 4nosC-5m8tA:
undetectable
4nosD-5m8tA:
undetectable		 4nosC-5m8tA:
20.73
4nosD-5m8tA:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ARG A 249
ILE A 179
PHE A 581
GLU A 576
 None
 1.15A 4nosC-5no8A:
undetectable
4nosD-5no8A:
undetectable		 4nosC-5no8A:
20.31
4nosD-5no8A:
20.31
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 ILE A 232
TRP A 251
PHE A 247
GLU A 227
 None
 1.19A 4nosC-5nqdA:
undetectable
4nosD-5nqdA:
undetectable		 4nosC-5nqdA:
10.70
4nosD-5nqdA:
10.70
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 ARG A1115
ILE A1136
PHE A1106
GLU A1090
 None
 1.35A 4nosC-5o51A:
undetectable
4nosD-5o51A:
undetectable		 4nosC-5o51A:
11.39
4nosD-5o51A:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		4 MET A 519
ARG A  74
ILE A 510
GLU A 520
 None
 1.39A 4nosC-5odrA:
undetectable
4nosD-5odrA:
undetectable		 4nosC-5odrA:
21.60
4nosD-5odrA:
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ILE A 237
TRP A 234
PHE A 250
GLU A 235
 None
 1.33A 4nosC-5oydA:
undetectable
4nosD-5oydA:
undetectable		 4nosC-5oydA:
13.58
4nosD-5oydA:
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 MET A  23
ILE A 102
PHE A  28
GLU A  26
 None
 1.25A 4nosC-5t3uA:
undetectable
4nosD-5t3uA:
undetectable		 4nosC-5t3uA:
16.94
4nosD-5t3uA:
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.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 ILE A 278
TRP A 281
PHE A 285
GLU A 283
 None
 1.29A 4nosC-5u6oA:
undetectable
4nosD-5u6oA:
undetectable		 4nosC-5u6oA:
19.38
4nosD-5u6oA:
19.38
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.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 ILE A 284
TRP A 281
PHE A 143
GLU A 282
 None
 1.49A 4nosC-5u6oA:
undetectable
4nosD-5u6oA:
undetectable		 4nosC-5u6oA:
19.38
4nosD-5u6oA:
19.38
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 4 ARG C 201
ILE C 233
PHE C 204
GLU C 235
 None
 1.46A 4nosC-5v12C:
undetectable
4nosD-5v12C:
undetectable		 4nosC-5v12C:
11.68
4nosD-5v12C:
11.68
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.
5y2p -

(-) 		no annotation 4 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.02A 4nosC-5y2pA:
undetectable
4nosD-5y2pA:
undetectable		 4nosC-5y2pA:
undetectable
4nosD-5y2pA:
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 4 ILE A 461
TRP A 463
PHE A 469
GLU A 464
 None
FAD  A 601 (-3.9A)
FAD  A 601 (-4.3A)
None
 1.49A 4nosC-5yb7A:
undetectable
4nosD-5yb7A:
undetectable		 4nosC-5yb7A:
10.87
4nosD-5yb7A:
10.87
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 ILE A   3
TRP A  87
PHE A 145
GLU A  85
 None
 0.79A 4nosC-5yhhA:
undetectable
4nosD-5yhhA:
undetectable		 4nosC-5yhhA:
11.24
4nosD-5yhhA:
11.24
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.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 MET A1807
ILE A1805
PHE A1889
GLU A1810
 None
 1.28A 4nosC-6fghA:
undetectable
4nosD-6fghA:
undetectable		 4nosC-6fghA:
14.24
4nosD-6fghA:
14.24