SIMILAR PATTERNS OF AMINO ACIDS FOR 4NOS_B_H4BB1011_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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 PHE A  16
GLU A  28
ARG A  75
ILE A   3
 None
 1.45A 4nosA-1dxyA:
0.0
4nosB-1dxyA:
0.0		 4nosA-1dxyA:
21.88
4nosB-1dxyA:
21.88
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.
1ebb PHOSPHATASE

(Geobacillus
stearothermophilus) 		PF00300
(His_Phos_1) 		4 TRP A  89
PHE A 108
GLU A  90
ILE A  97
 SO4  A 304 ( 4.8A)
None
None
None
 1.44A 4nosA-1ebbA:
0.3
4nosB-1ebbA:
0.0		 4nosA-1ebbA:
20.79
4nosB-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.
1f6b SAR1

(Cricetulus
griseus) 		PF00025
(Arf) 		4 PHE A 151
GLU A 144
MET A 177
ILE A 131
 None
 1.31A 4nosA-1f6bA:
0.0
4nosB-1f6bA:
0.0		 4nosA-1f6bA:
17.10
4nosB-1f6bA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A  31
MET A  73
ARG A  59
ILE A  36
 None
None
ZN  A  81 ( 4.9A)
None
 1.08A 4nosA-1hraA:
undetectable
4nosB-1hraA:
undetectable		 4nosA-1hraA:
9.60
4nosB-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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.21A 4nosA-1js6A:
0.4
4nosB-1js6A:
0.3		 4nosA-1js6A:
20.50
4nosB-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 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.36A 4nosA-1kexA:
undetectable
4nosB-1kexA:
undetectable		 4nosA-1kexA:
18.21
4nosB-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 TRP A 307
PHE A 284
GLU A 280
ILE A 152
 None
 1.39A 4nosA-1kobA:
undetectable
4nosB-1kobA:
0.0		 4nosA-1kobA:
22.63
4nosB-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 PHE A 254
MET A 215
ARG A  90
ILE A 205
 None
 1.40A 4nosA-1kp0A:
0.0
4nosB-1kp0A:
undetectable		 4nosA-1kp0A:
20.58
4nosB-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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.33A 4nosA-1nj1A:
0.0
4nosB-1nj1A:
0.0		 4nosA-1nj1A:
22.54
4nosB-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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 TRP A  23
PHE A  24
GLU A  22
ILE A  27
 None
 1.48A 4nosA-1nj1A:
0.0
4nosB-1nj1A:
0.0		 4nosA-1nj1A:
22.54
4nosB-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 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.07A 4nosA-1nsaA:
0.0
4nosB-1nsaA:
0.0		 4nosA-1nsaA:
21.91
4nosB-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 PHE A 432
GLU A 436
ARG A 291
ILE A 273
 None
None
None
FAD  A 652 (-3.6A)
 1.31A 4nosA-1o5wA:
undetectable
4nosB-1o5wA:
undetectable		 4nosA-1o5wA:
21.58
4nosB-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)
 0.18A 4nosA-1qw5A:
61.4
4nosB-1qw5A:
58.3		 4nosA-1qw5A:
86.90
4nosB-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 TRP A 109
GLU A 110
ARG A 192
ILE A 112
 None
 1.29A 4nosA-1vgqA:
undetectable
4nosB-1vgqA:
undetectable		 4nosA-1vgqA:
21.63
4nosB-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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 GLU A  33
ARG A 288
ILE A  73
TRP A  74
 None
GOL  A3020 (-2.5A)
None
GOL  A3020 (-4.3A)
 1.46A 4nosA-1yi7A:
undetectable
4nosB-1yi7A:
undetectable		 4nosA-1yi7A:
21.12
4nosB-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 GLU A1034
ARG A1280
ILE A1074
TRP A1075
 None
 1.44A 4nosA-1yrzA:
undetectable
4nosB-1yrzA:
undetectable		 4nosA-1yrzA:
21.76
4nosB-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 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 0.96A 4nosA-1zliA:
undetectable
4nosB-1zliA:
undetectable		 4nosA-1zliA:
21.15
4nosB-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.
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 A1650
GLU A1652
ARG A1530
ILE A1567
 None
 1.48A 4nosA-2b39A:
undetectable
4nosB-2b39A:
undetectable		 4nosA-2b39A:
13.27
4nosB-2b39A:
13.27
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.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 TRP A  14
PHE A  17
GLU A  15
ILE B  13
 None
 1.31A 4nosA-2b87A:
undetectable
4nosB-2b87A:
undetectable		 4nosA-2b87A:
9.44
4nosB-2b87A:
9.44
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.36A 4nosA-2cy7A:
undetectable
4nosB-2cy7A:
undetectable		 4nosA-2cy7A:
22.25
4nosB-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 PHE A 181
GLU A 331
ARG A 344
ILE A 339
 None
 1.43A 4nosA-2dpyA:
undetectable
4nosB-2dpyA:
undetectable		 4nosA-2dpyA:
22.27
4nosB-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 TRP A 288
PHE A 236
GLU A 239
ILE A 320
 None
None
MG  A2001 ( 2.9A)
None
 1.49A 4nosA-2dw6A:
0.1
4nosB-2dw6A:
undetectable		 4nosA-2dw6A:
23.23
4nosB-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 PHE A 257
GLU A 170
ARG A 256
ILE A 174
 None
 1.27A 4nosA-2e3zA:
undetectable
4nosB-2e3zA:
undetectable		 4nosA-2e3zA:
22.67
4nosB-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 TRP A 245
PHE A 240
ARG A 257
ILE A 248
 None
 1.13A 4nosA-2jc6A:
undetectable
4nosB-2jc6A:
undetectable		 4nosA-2jc6A:
20.32
4nosB-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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 TRP A  90
PHE A  93
ARG A  37
ILE A  83
 None
 1.42A 4nosA-2o2xA:
undetectable
4nosB-2o2xA:
undetectable		 4nosA-2o2xA:
21.53
4nosB-2o2xA:
21.53
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.
2php UNCHARACTERIZED
PROTEIN MJ0236

(Methanocaldococcus
jannaschii) 		PF10120
(ThiP_synth) 		4 PHE A 354
GLU A 367
ARG A 356
ILE A 318
 None
 1.24A 4nosA-2phpA:
undetectable
4nosB-2phpA:
undetectable		 4nosA-2phpA:
18.66
4nosB-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 PHE A 104
GLU A 133
ARG A 102
ILE A 106
 None
 1.48A 4nosA-2qlzA:
0.9
4nosB-2qlzA:
undetectable		 4nosA-2qlzA:
16.86
4nosB-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 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.40A 4nosA-2qqoA:
undetectable
4nosB-2qqoA:
undetectable		 4nosA-2qqoA:
21.29
4nosB-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 PHE A  55
GLU A  53
ARG A  25
ILE A  17
 None
BU2  A 196 (-3.2A)
None
None
 0.98A 4nosA-2rfmA:
undetectable
4nosB-2rfmA:
undetectable		 4nosA-2rfmA:
19.19
4nosB-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 PHE A 525
GLU A 494
ARG A 523
ILE A 512
 None
 1.48A 4nosA-2rrnA:
undetectable
4nosB-2rrnA:
undetectable		 4nosA-2rrnA:
11.35
4nosB-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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 360
PHE A 337
GLU A 333
ILE A 205
 None
 1.40A 4nosA-2x4fA:
undetectable
4nosB-2x4fA:
undetectable		 4nosA-2x4fA:
23.08
4nosB-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.
2ycd GLUTATHIONE
S-TRANSFERASE

(Agrobacterium
tumefaciens) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 TRP A  40
PHE A 213
GLU A  43
ILE A 179
 None
 1.45A 4nosA-2ycdA:
0.5
4nosB-2ycdA:
undetectable		 4nosA-2ycdA:
19.57
4nosB-2ycdA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 436
ARG A 420
ILE A 433
TRP A 337
 None
 1.20A 4nosA-2yeqA:
undetectable
4nosB-2yeqA:
undetectable		 4nosA-2yeqA:
24.36
4nosB-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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 4nosA-3c2uA:
undetectable
4nosB-3c2uA:
undetectable		 4nosA-3c2uA:
20.97
4nosB-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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 0.91A 4nosA-3ckbA:
undetectable
4nosB-3ckbA:
undetectable		 4nosA-3ckbA:
20.21
4nosB-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 TRP A 229
PHE A 224
ARG A 241
ILE A 232
 None
 1.11A 4nosA-3dfaA:
undetectable
4nosB-3dfaA:
undetectable		 4nosA-3dfaA:
20.41
4nosB-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)
 0.33A 4nosA-3e7gA:
61.2
4nosB-3e7gA:
61.3		 4nosA-3e7gA:
99.76
4nosB-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 PHE A 353
GLU A 395
ARG A 440
ILE A 391
 None
 1.21A 4nosA-3g3oA:
undetectable
4nosB-3g3oA:
undetectable		 4nosA-3g3oA:
20.65
4nosB-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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 PHE A  34
MET A  20
ARG A 118
TRP A  51
 1PE  A 131 (-4.5A)
1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
 1.41A 4nosA-3hzpA:
undetectable
4nosB-3hzpA:
undetectable		 4nosA-3hzpA:
17.05
4nosB-3hzpA:
17.05
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 TRP K 954
PHE K 972
MET K 958
ILE K 924
 None
 1.26A 4nosA-3jblK:
undetectable
4nosB-3jblK:
undetectable		 4nosA-3jblK:
19.27
4nosB-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 TRP B 187
MET B 410
ILE B 407
TRP B 406
 None
 1.24A 4nosA-3n2zB:
undetectable
4nosB-3n2zB:
undetectable		 4nosA-3n2zB:
22.04
4nosB-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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		4 PHE A  21
GLU A   2
MET A   1
ILE A  37
 None
 1.42A 4nosA-3vsvA:
undetectable
4nosB-3vsvA:
undetectable		 4nosA-3vsvA:
21.06
4nosB-3vsvA:
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 TRP A 190
PHE A 259
GLU A 179
ILE A 269
 None
 1.20A 4nosA-4be3A:
undetectable
4nosB-4be3A:
undetectable		 4nosA-4be3A:
21.85
4nosB-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 PHE A 208
GLU A 245
ARG A 207
ILE A 156
 None
 1.44A 4nosA-4c7vA:
undetectable
4nosB-4c7vA:
undetectable		 4nosA-4c7vA:
20.61
4nosB-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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 PHE A 733
GLU A 695
MET A 656
ILE A 730
 None
 1.45A 4nosA-4d72A:
undetectable
4nosB-4d72A:
undetectable		 4nosA-4d72A:
20.36
4nosB-4d72A:
20.36
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 242
PHE A 237
ARG A 254
ILE A 245
 None
 1.14A 4nosA-4fg8A:
undetectable
4nosB-4fg8A:
undetectable		 4nosA-4fg8A:
22.17
4nosB-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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 342
GLU B 424
ILE B 422
TRP B 355
 None
 1.43A 4nosA-4l37B:
undetectable
4nosB-4l37B:
undetectable		 4nosA-4l37B:
20.44
4nosB-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 PHE A 304
MET A 360
ARG A 269
ILE A 387
 None
 1.22A 4nosA-4nnzA:
undetectable
4nosB-4nnzA:
undetectable		 4nosA-4nnzA:
23.28
4nosB-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
ILE A 101
 None
None
None
SAH  A 301 ( 4.1A)
 1.44A 4nosA-4pneA:
undetectable
4nosB-4pneA:
undetectable		 4nosA-4pneA:
21.63
4nosB-4pneA:
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.49A 4nosA-4qbuA:
undetectable
4nosB-4qbuA:
undetectable		 4nosA-4qbuA:
21.24
4nosB-4qbuA:
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.
4rgw TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		4 GLU A 895
ARG A 890
ILE A 897
TRP A 837
 None
 1.48A 4nosA-4rgwA:
undetectable
4nosB-4rgwA:
undetectable		 4nosA-4rgwA:
21.12
4nosB-4rgwA:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
ILE A 271
 None
 1.28A 4nosA-4xj6A:
undetectable
4nosB-4xj6A:
undetectable		 4nosA-4xj6A:
23.14
4nosB-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 TRP A 337
GLU A 338
ARG A 347
ILE A 340
 None
 1.44A 4nosA-4z4lA:
undetectable
4nosB-4z4lA:
undetectable		 4nosA-4z4lA:
22.24
4nosB-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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		4 GLU G 895
ARG G 890
ILE G 897
TRP G 837
 None
 1.46A 4nosA-5furG:
undetectable
4nosB-5furG:
undetectable		 4nosA-5furG:
13.25
4nosB-5furG:
13.25
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.
5huo NICOTINATE-NUCLEOTID
E DIPHOSPHORYLASE
(CARBOXYLATING)

(Streptococcus
pyogenes) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 PHE A 257
GLU A 244
ARG A 256
ILE A 262
 None
 1.42A 4nosA-5huoA:
undetectable
4nosB-5huoA:
undetectable		 4nosA-5huoA:
21.73
4nosB-5huoA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 PHE A 128
GLU A  45
ILE A 114
TRP A  84
 None
 1.39A 4nosA-5hwtA:
undetectable
4nosB-5hwtA:
undetectable		 4nosA-5hwtA:
16.55
4nosB-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 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.14A 4nosA-5j1qA:
undetectable
4nosB-5j1qA:
undetectable		 4nosA-5j1qA:
19.95
4nosB-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 PHE A  85
GLU A  80
ARG A  40
ILE A  77
 None
 1.44A 4nosA-5jnuA:
undetectable
4nosB-5jnuA:
undetectable		 4nosA-5jnuA:
16.71
4nosB-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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 4 PHE A1193
GLU A1188
ARG A1194
ILE A1191
 None
 1.49A 4nosA-5kk5A:
undetectable
4nosB-5kk5A:
undetectable		 4nosA-5kk5A:
15.79
4nosB-5kk5A:
15.79
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.
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
 1.02A 4nosA-5m8tA:
0.0
4nosB-5m8tA:
undetectable		 4nosA-5m8tA:
20.73
4nosB-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 PHE A 581
GLU A 576
ARG A 249
ILE A 179
 None
 1.19A 4nosA-5no8A:
undetectable
4nosB-5no8A:
undetectable		 4nosA-5no8A:
20.31
4nosB-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 TRP A 251
PHE A 247
GLU A 227
ILE A 232
 None
 1.19A 4nosA-5nqdA:
undetectable
4nosB-5nqdA:
undetectable		 4nosA-5nqdA:
10.70
4nosB-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 PHE A1106
GLU A1090
ARG A1115
ILE A1136
 None
 1.28A 4nosA-5o51A:
undetectable
4nosB-5o51A:
undetectable		 4nosA-5o51A:
11.39
4nosB-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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 TRP A 234
PHE A 250
GLU A 235
ILE A 237
 None
 1.31A 4nosA-5oydA:
undetectable
4nosB-5oydA:
undetectable		 4nosA-5oydA:
13.58
4nosB-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 PHE A  28
GLU A  26
MET A  23
ILE A 102
 None
 1.29A 4nosA-5t3uA:
undetectable
4nosB-5t3uA:
undetectable		 4nosA-5t3uA:
16.94
4nosB-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 PHE A 285
GLU A 283
ILE A 278
TRP A 281
 None
 1.31A 4nosA-5u6oA:
0.7
4nosB-5u6oA:
undetectable		 4nosA-5u6oA:
19.38
4nosB-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 PHE C 204
GLU C 235
ARG C 201
ILE C 233
 None
 1.44A 4nosA-5v12C:
undetectable
4nosB-5v12C:
undetectable		 4nosA-5v12C:
11.68
4nosB-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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 PHE E  73
ARG E  72
ILE E  80
TRP E  65
 None
None
None
UDP  E 403 (-4.0A)
 1.49A 4nosA-5xykE:
undetectable
4nosB-5xykE:
undetectable		 4nosA-5xykE:
11.62
4nosB-5xykE:
11.62
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.
5y2p -

(-) 		no annotation 4 PHE A 264
GLU A 262
ARG A  30
ILE A 236
 None
 1.11A 4nosA-5y2pA:
undetectable
4nosB-5y2pA:
undetectable		 4nosA-5y2pA:
undetectable
4nosB-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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 TRP A  87
PHE A 145
GLU A  85
ILE A   3
 None
 0.82A 4nosA-5yhhA:
undetectable
4nosB-5yhhA:
undetectable		 4nosA-5yhhA:
11.24
4nosB-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 PHE A1889
GLU A1810
MET A1807
ILE A1805
 None
 1.37A 4nosA-6fghA:
undetectable
4nosB-6fghA:
undetectable		 4nosA-6fghA:
14.24
4nosB-6fghA:
14.24