SIMILAR PATTERNS OF AMINO ACIDS FOR 2NSI_B_H4BB601

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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 PHE A  64
GLU A  72
ARG A 106
ILE A  50
 None
 1.17A 2nsiA-1bwyA:
0.0
2nsiB-1bwyA:
0.0		 2nsiA-1bwyA:
16.24
2nsiB-1bwyA:
16.24
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.
1c4p PROTEIN
(STREPTOKINASE)

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		4 PHE A 241
GLU A 198
ARG A 219
ILE A 270
 None
 1.47A 2nsiA-1c4pA:
0.0
2nsiB-1c4pA:
0.0		 2nsiA-1c4pA:
15.12
2nsiB-1c4pA:
15.12
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.
1d2z DEATH DOMAIN OF TUBE

(Drosophila
melanogaster) 		PF14786
(Death_2) 		4 TRP B 117
GLU B 125
MET B  65
ILE B  61
 None
 1.38A 2nsiA-1d2zB:
0.0
2nsiB-1d2zB:
undetectable		 2nsiA-1d2zB:
16.94
2nsiB-1d2zB:
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.
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
 1.41A 2nsiA-1dxyA:
0.0
2nsiB-1dxyA:
undetectable		 2nsiA-1dxyA:
21.69
2nsiB-1dxyA:
21.69
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.
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
 1.49A 2nsiA-1ebbA:
0.0
2nsiB-1ebbA:
0.2		 2nsiA-1ebbA:
21.66
2nsiB-1ebbA:
21.66
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.
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
 1.12A 2nsiA-1hraA:
undetectable
2nsiB-1hraA:
undetectable		 2nsiA-1hraA:
9.79
2nsiB-1hraA:
9.79
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.
1jhg TRP OPERON REPRESSOR

(Escherichia
coli) 		PF01371
(Trp_repressor) 		4 GLU A  70
MET A  66
ARG A  56
ILE A  82
 None
 1.24A 2nsiA-1jhgA:
undetectable
2nsiB-1jhgA:
undetectable		 2nsiA-1jhgA:
12.56
2nsiB-1jhgA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.40A 2nsiA-1kobA:
undetectable
2nsiB-1kobA:
0.0		 2nsiA-1kobA:
20.70
2nsiB-1kobA:
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.
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
 1.40A 2nsiA-1l5jA:
undetectable
2nsiB-1l5jA:
0.0		 2nsiA-1l5jA:
18.84
2nsiB-1l5jA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.30A 2nsiA-1nj1A:
0.0
2nsiB-1nj1A:
0.3		 2nsiA-1nj1A:
22.44
2nsiB-1nj1A:
22.44
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.
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
 1.02A 2nsiA-1nsaA:
0.5
2nsiB-1nsaA:
0.0		 2nsiA-1nsaA:
23.04
2nsiB-1nsaA:
23.04
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)
 0.28A 2nsiA-1qw5A:
61.1
2nsiB-1qw5A:
61.2		 2nsiA-1qw5A:
85.51
2nsiB-1qw5A:
85.51
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.
1tzq EQUINATOXIN II

(Actinia equina) 		PF06369
(Anemone_cytotox) 		4 TRP A 117
PHE A 143
ARG A 152
ILE A 174
 None
 1.50A 2nsiA-1tzqA:
undetectable
2nsiB-1tzqA:
undetectable		 2nsiA-1tzqA:
17.78
2nsiB-1tzqA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.93A 2nsiA-1zliA:
undetectable
2nsiB-1zliA:
undetectable		 2nsiA-1zliA:
21.57
2nsiB-1zliA:
21.57
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		4 PHE A   6
GLU A  62
ARG A  10
ILE A  59
 None
 1.30A 2nsiA-1zq1A:
undetectable
2nsiB-1zq1A:
undetectable		 2nsiA-1zq1A:
20.42
2nsiB-1zq1A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.49A 2nsiA-2b39A:
undetectable
2nsiB-2b39A:
undetectable		 2nsiA-2b39A:
13.65
2nsiB-2b39A:
13.65
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.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 TRP A  14
PHE A  17
GLU A  15
ILE B  13
 None
 1.37A 2nsiA-2b87A:
undetectable
2nsiB-2b87A:
undetectable		 2nsiA-2b87A:
8.73
2nsiB-2b87A:
8.73
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 138
GLU A 167
MET A 164
ILE A 176
 None
 1.41A 2nsiA-2bwgA:
undetectable
2nsiB-2bwgA:
undetectable		 2nsiA-2bwgA:
20.94
2nsiB-2bwgA:
20.94
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.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 138
GLU A 167
MET A 164
ILE A 176
 None
 1.49A 2nsiA-2bznA:
undetectable
2nsiB-2bznA:
undetectable		 2nsiA-2bznA:
22.17
2nsiB-2bznA:
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.29A 2nsiA-2cy7A:
undetectable
2nsiB-2cy7A:
undetectable		 2nsiA-2cy7A:
22.50
2nsiB-2cy7A:
22.50
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.
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
 1.46A 2nsiA-2dw6A:
undetectable
2nsiB-2dw6A:
undetectable		 2nsiA-2dw6A:
23.04
2nsiB-2dw6A:
23.04
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 PHE A 257
GLU A 170
ARG A 256
ILE A 201
 None
 1.31A 2nsiA-2e3zA:
undetectable
2nsiB-2e3zA:
undetectable		 2nsiA-2e3zA:
23.58
2nsiB-2e3zA:
23.58
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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 PHE A 249
GLU A 257
ARG A 187
ILE A 218
 None
 1.23A 2nsiA-2eynA:
undetectable
2nsiB-2eynA:
undetectable		 2nsiA-2eynA:
19.49
2nsiB-2eynA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TRP A 113
PHE A 117
GLU A 112
ILE A  11
 None
 1.38A 2nsiA-2iukA:
undetectable
2nsiB-2iukA:
undetectable		 2nsiA-2iukA:
19.30
2nsiB-2iukA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 2nsiA-2jc6A:
undetectable
2nsiB-2jc6A:
undetectable		 2nsiA-2jc6A:
19.73
2nsiB-2jc6A:
19.73
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 TRP A  90
PHE A  93
ARG A  37
ILE A  83
 None
 1.48A 2nsiA-2o2xA:
undetectable
2nsiB-2o2xA:
undetectable		 2nsiA-2o2xA:
19.82
2nsiB-2o2xA:
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 PHE A 104
GLU A 133
ARG A 102
ILE A 106
 None
 1.47A 2nsiA-2qlzA:
undetectable
2nsiB-2qlzA:
undetectable		 2nsiA-2qlzA:
17.36
2nsiB-2qlzA:
17.36
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.
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
 0.90A 2nsiA-2rfmA:
undetectable
2nsiB-2rfmA:
undetectable		 2nsiA-2rfmA:
18.94
2nsiB-2rfmA:
18.94
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.
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
 1.43A 2nsiA-2ycdA:
undetectable
2nsiB-2ycdA:
undetectable		 2nsiA-2ycdA:
19.67
2nsiB-2ycdA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 TRP A  15
PHE A 137
GLU A  16
MET A  17
 None
 1.32A 2nsiA-2zf8A:
undetectable
2nsiB-2zf8A:
undetectable		 2nsiA-2zf8A:
18.96
2nsiB-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 PHE A 267
GLU A 221
ARG A 258
ILE A 253
 None
 1.44A 2nsiA-3a4tA:
1.2
2nsiB-3a4tA:
undetectable		 2nsiA-3a4tA:
19.82
2nsiB-3a4tA:
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.04A 2nsiA-3ckbA:
undetectable
2nsiB-3ckbA:
undetectable		 2nsiA-3ckbA:
21.74
2nsiB-3ckbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.09A 2nsiA-3dfaA:
undetectable
2nsiB-3dfaA:
undetectable		 2nsiA-3dfaA:
21.17
2nsiB-3dfaA:
21.17
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)
 0.25A 2nsiA-3e7gA:
61.3
2nsiB-3e7gA:
61.3		 2nsiA-3e7gA:
100.00
2nsiB-3e7gA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.35A 2nsiA-3f3zA:
undetectable
2nsiB-3f3zA:
undetectable		 2nsiA-3f3zA:
20.85
2nsiB-3f3zA:
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 PHE A 353
GLU A 395
ARG A 440
ILE A 391
 None
 1.20A 2nsiA-3g3oA:
undetectable
2nsiB-3g3oA:
undetectable		 2nsiA-3g3oA:
20.76
2nsiB-3g3oA:
20.76
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A  20
GLU A 310
ARG A  52
ILE A 333
 None
 1.29A 2nsiA-3gazA:
undetectable
2nsiB-3gazA:
undetectable		 2nsiA-3gazA:
22.57
2nsiB-3gazA:
22.57
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.
3ggy INCREASED SODIUM
TOLERANCE PROTEIN 1

(Saccharomyces
cerevisiae) 		PF03398
(Ist1) 		4 PHE A 140
GLU A  94
ARG A 110
ILE A  90
 None
 1.47A 2nsiA-3ggyA:
undetectable
2nsiB-3ggyA:
undetectable		 2nsiA-3ggyA:
17.78
2nsiB-3ggyA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 298
PHE A 293
ARG A 310
ILE A 301
 None
None
SRT  A 543 (-3.8A)
None
 1.06A 2nsiA-3igoA:
undetectable
2nsiB-3igoA:
undetectable		 2nsiA-3igoA:
21.50
2nsiB-3igoA:
21.50
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.
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
 1.21A 2nsiA-3jblK:
undetectable
2nsiB-3jblK:
undetectable		 2nsiA-3jblK:
19.62
2nsiB-3jblK:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lim FRAGACEATOXIN C

(Actinia
fragacea) 		PF06369
(Anemone_cytotox) 		4 TRP A 117
PHE A 143
ARG A 152
ILE A 174
 None
 1.47A 2nsiA-3limA:
undetectable
2nsiB-3limA:
undetectable		 2nsiA-3limA:
18.24
2nsiB-3limA:
18.24
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.33A 2nsiA-3q63A:
undetectable
2nsiB-3q63A:
undetectable		 2nsiA-3q63A:
15.58
2nsiB-3q63A:
15.58
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.12A 2nsiA-3rblA:
undetectable
2nsiB-3rblA:
undetectable		 2nsiA-3rblA:
21.46
2nsiB-3rblA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhe NAD-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Legionella
pneumophila) 		PF00903
(Glyoxalase) 		4 TRP A  86
GLU A  81
MET A  78
ILE A 118
 None
 1.43A 2nsiA-3rheA:
undetectable
2nsiB-3rheA:
undetectable		 2nsiA-3rheA:
18.31
2nsiB-3rheA:
18.31
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		4 PHE A 103
GLU A  98
ARG A  42
ILE A  46
 None
 1.44A 2nsiA-3zidA:
0.6
2nsiB-3zidA:
0.6		 2nsiA-3zidA:
20.74
2nsiB-3zidA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 2nsiA-4be3A:
undetectable
2nsiB-4be3A:
undetectable		 2nsiA-4be3A:
21.10
2nsiB-4be3A:
21.10
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.
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
 1.39A 2nsiA-4c7vA:
undetectable
2nsiB-4c7vA:
undetectable		 2nsiA-4c7vA:
22.69
2nsiB-4c7vA:
22.69
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		4 TRP A 170
PHE A 169
GLU A 163
ILE A 161
 None
 1.45A 2nsiA-4ebaA:
undetectable
2nsiB-4ebaA:
undetectable		 2nsiA-4ebaA:
20.18
2nsiB-4ebaA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 2nsiA-4fg8A:
undetectable
2nsiB-4fg8A:
undetectable		 2nsiA-4fg8A:
22.49
2nsiB-4fg8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 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 TRP A 172
PHE A 188
GLU A 173
ILE A 175
 None
 1.31A 2nsiA-4im4A:
undetectable
2nsiB-4im4A:
undetectable		 2nsiA-4im4A:
21.28
2nsiB-4im4A:
21.28
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.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		4 GLU A  11
MET A   9
ARG A 192
ILE A  13
 None
 1.45A 2nsiA-4jwtA:
undetectable
2nsiB-4jwtA:
undetectable		 2nsiA-4jwtA:
21.78
2nsiB-4jwtA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.42A 2nsiA-4l37B:
undetectable
2nsiB-4l37B:
undetectable		 2nsiA-4l37B:
19.91
2nsiB-4l37B:
19.91
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 PHE A 695
GLU A 692
ARG A 637
ILE A 630
 None
 1.40A 2nsiA-4ncnA:
undetectable
2nsiB-4ncnA:
undetectable		 2nsiA-4ncnA:
20.99
2nsiB-4ncnA:
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.
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
 1.03A 2nsiA-4nnzA:
undetectable
2nsiB-4nnzA:
undetectable		 2nsiA-4nnzA:
23.35
2nsiB-4nnzA:
23.35
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.
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)
 1.33A 2nsiA-4pneA:
undetectable
2nsiB-4pneA:
undetectable		 2nsiA-4pneA:
20.81
2nsiB-4pneA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.48A 2nsiA-4qbuA:
undetectable
2nsiB-4qbuA:
undetectable		 2nsiA-4qbuA:
21.12
2nsiB-4qbuA:
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.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 4 PHE B 695
GLU B 692
ARG B 637
ILE B 630
 None
 1.45A 2nsiA-4tmzB:
undetectable
2nsiB-4tmzB:
undetectable		 2nsiA-4tmzB:
23.93
2nsiB-4tmzB:
23.93
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.
4u3g BACTERIOFERRITIN

(Escherichia
coli) 		PF00210
(Ferritin) 		4 PHE A  26
GLU A  47
ARG A  30
ILE A  49
 None
 1.48A 2nsiA-4u3gA:
undetectable
2nsiB-4u3gA:
undetectable		 2nsiA-4u3gA:
18.70
2nsiB-4u3gA:
18.70
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 TRP A 337
GLU A 338
ARG A 347
ILE A 340
 None
 1.43A 2nsiA-4z4lA:
undetectable
2nsiB-4z4lA:
undetectable		 2nsiA-4z4lA:
22.78
2nsiB-4z4lA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.34A 2nsiA-5hwtA:
undetectable
2nsiB-5hwtA:
undetectable		 2nsiA-5hwtA:
15.97
2nsiB-5hwtA:
15.97
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.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.12A 2nsiA-5j1qA:
undetectable
2nsiB-5j1qA:
undetectable		 2nsiA-5j1qA:
20.90
2nsiB-5j1qA:
20.90
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.
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
 1.46A 2nsiA-5jnuA:
undetectable
2nsiB-5jnuA:
undetectable		 2nsiA-5jnuA:
15.96
2nsiB-5jnuA:
15.96
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		4 GLU A  12
MET A  10
ARG A 194
ILE A  14
 None
4CT  A 301 ( 2.9A)
4CT  A 301 ( 4.2A)
None
 1.44A 2nsiA-5k1zA:
undetectable
2nsiB-5k1zA:
undetectable		 2nsiA-5k1zA:
22.03
2nsiB-5k1zA:
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.
5ly8 TAIL COMPONENT

(Lactobacillus
phage J-1) 		no annotation 4 TRP A 233
PHE A  94
GLU A 232
ILE A  82
 None
 1.47A 2nsiA-5ly8A:
undetectable
2nsiB-5ly8A:
undetectable		 2nsiA-5ly8A:
19.50
2nsiB-5ly8A:
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.
5m15 SYNTHETIC NANOBODY
L2_D09, (A-MBP#3)

(synthetic
construct) 		no annotation 4 PHE C  37
GLU C  44
ILE C 108
TRP C 110
 None
 1.38A 2nsiA-5m15C:
undetectable
2nsiB-5m15C:
undetectable		 2nsiA-5m15C:
14.62
2nsiB-5m15C:
14.62
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 TRP A 587
PHE A 606
ARG A 417
ILE A 546
 None
 1.44A 2nsiA-5m6gA:
undetectable
2nsiB-5m6gA:
undetectable		 2nsiA-5m6gA:
23.23
2nsiB-5m6gA:
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.48A 2nsiA-5m7rA:
undetectable
2nsiB-5m7rA:
undetectable		 2nsiA-5m7rA:
17.66
2nsiB-5m7rA:
17.66
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.
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
 1.01A 2nsiA-5m8tA:
undetectable
2nsiB-5m8tA:
undetectable		 2nsiA-5m8tA:
20.32
2nsiB-5m8tA:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 PHE A 581
GLU A 576
ARG A 249
ILE A 179
 None
 1.16A 2nsiA-5no8A:
undetectable
2nsiB-5no8A:
undetectable		 2nsiA-5no8A:
21.85
2nsiB-5no8A:
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.
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
 1.11A 2nsiA-5nqdA:
undetectable
2nsiB-5nqdA:
undetectable		 2nsiA-5nqdA:
10.00
2nsiB-5nqdA:
10.00
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 PHE A1106
GLU A1090
ARG A1115
ILE A1136
 None
 1.26A 2nsiA-5o51A:
undetectable
2nsiB-5o51A:
undetectable		 2nsiA-5o51A:
10.92
2nsiB-5o51A:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 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 GLU A 520
MET A 519
ARG A  74
ILE A 510
 None
 1.46A 2nsiA-5odrA:
undetectable
2nsiB-5odrA:
undetectable		 2nsiA-5odrA:
21.15
2nsiB-5odrA:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 GLU A 507
ARG A 501
ILE A 535
TRP A 536
 None
 1.21A 2nsiA-5ot1A:
undetectable
2nsiB-5ot1A:
undetectable		 2nsiA-5ot1A:
13.54
2nsiB-5ot1A:
13.54
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 PHE A  28
GLU A  26
MET A  23
ILE A 102
 None
 1.13A 2nsiA-5t3uA:
undetectable
2nsiB-5t3uA:
undetectable		 2nsiA-5t3uA:
17.52
2nsiB-5t3uA:
17.52
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.
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
 1.34A 2nsiA-5u6oA:
undetectable
2nsiB-5u6oA:
undetectable		 2nsiA-5u6oA:
18.98
2nsiB-5u6oA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 TRP A 281
PHE A 143
GLU A 282
ILE A 284
 None
 1.44A 2nsiA-5u6oA:
undetectable
2nsiB-5u6oA:
undetectable		 2nsiA-5u6oA:
18.98
2nsiB-5u6oA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 TRP A  27
PHE A  63
GLU A  28
ILE A  30
 None
 1.17A 2nsiA-5x3hA:
undetectable
2nsiB-5x3hA:
undetectable		 2nsiA-5x3hA:
22.06
2nsiB-5x3hA:
22.06
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.
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)
 1.44A 2nsiA-5xykE:
undetectable
2nsiB-5xykE:
undetectable		 2nsiA-5xykE:
11.53
2nsiB-5xykE:
11.53
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.
5y2p -

(-) 		no annotation 4 PHE A 264
GLU A 262
ARG A  30
ILE A 236
 None
 1.11A 2nsiA-5y2pA:
0.0
2nsiB-5y2pA:
0.0		 2nsiA-5y2pA:
undetectable
2nsiB-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
 0.81A 2nsiA-5yhhA:
undetectable
2nsiB-5yhhA:
undetectable		 2nsiA-5yhhA:
11.96
2nsiB-5yhhA:
11.96
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.
5zib -

(-) 		no annotation 4 PHE A 504
GLU A 442
ARG A 500
ILE A 437
 None
None
NAG  A1001 ( 4.0A)
None
 1.31A 2nsiA-5zibA:
undetectable
2nsiB-5zibA:
undetectable		 2nsiA-5zibA:
undetectable
2nsiB-5zibA:
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 4 TRP B 306
GLU B 497
ARG B 292
ILE B 299
 None
 1.22A 2nsiA-5zvtB:
undetectable
2nsiB-5zvtB:
undetectable		 2nsiA-5zvtB:
10.45
2nsiB-5zvtB:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 PHE A1889
GLU A1810
MET A1807
ILE A1805
 None
 1.19A 2nsiA-6fghA:
undetectable
2nsiB-6fghA:
undetectable		 2nsiA-6fghA:
14.20
2nsiB-6fghA:
14.20