SIMILAR PATTERNS OF AMINO ACIDS FOR 2NSI_C_H4BC602_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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 ARG A 106
ILE A  50
PHE A  64
GLU A  72
 None
 1.18A 2nsiC-1bwyA:
0.0
2nsiD-1bwyA:
undetectable		 2nsiC-1bwyA:
16.24
2nsiD-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 ARG A 219
ILE A 270
PHE A 241
GLU A 198
 None
 1.48A 2nsiC-1c4pA:
0.0
2nsiD-1c4pA:
0.0		 2nsiC-1c4pA:
15.12
2nsiD-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 MET B  65
ILE B  61
TRP B 117
GLU B 125
 None
 1.34A 2nsiC-1d2zB:
undetectable
2nsiD-1d2zB:
0.0		 2nsiC-1d2zB:
16.94
2nsiD-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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.50A 2nsiC-1dvkA:
0.5
2nsiD-1dvkA:
0.5		 2nsiC-1dvkA:
18.52
2nsiD-1dvkA:
18.52
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ARG A  75
ILE A   3
PHE A  16
GLU A  28
 None
 1.39A 2nsiC-1dxyA:
0.0
2nsiD-1dxyA:
0.0		 2nsiC-1dxyA:
21.69
2nsiD-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 ILE A  97
TRP A  89
PHE A 108
GLU A  90
 None
SO4  A 304 ( 4.8A)
None
None
 1.50A 2nsiC-1ebbA:
0.0
2nsiD-1ebbA:
0.0		 2nsiC-1ebbA:
21.66
2nsiD-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.
1f6b SAR1

(Cricetulus
griseus) 		PF00025
(Arf) 		4 MET A 177
ILE A 131
PHE A 151
GLU A 144
 None
 1.32A 2nsiC-1f6bA:
0.0
2nsiD-1f6bA:
0.0		 2nsiC-1f6bA:
17.05
2nsiD-1f6bA:
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.
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
 1.14A 2nsiC-1hraA:
undetectable
2nsiD-1hraA:
undetectable		 2nsiC-1hraA:
9.79
2nsiD-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.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 ILE A  72
TRP A  36
PHE A  12
GLU A  35
 None
 1.45A 2nsiC-1iktA:
0.0
2nsiD-1iktA:
0.0		 2nsiC-1iktA:
14.83
2nsiD-1iktA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 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 MET A  66
ARG A  56
ILE A  82
GLU A  70
 None
 1.27A 2nsiC-1jhgA:
undetectable
2nsiD-1jhgA:
undetectable		 2nsiC-1jhgA:
12.56
2nsiD-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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.45A 2nsiC-1kexA:
undetectable
2nsiD-1kexA:
undetectable		 2nsiC-1kexA:
18.21
2nsiD-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
 1.41A 2nsiC-1kobA:
undetectable
2nsiD-1kobA:
undetectable		 2nsiC-1kobA:
20.70
2nsiD-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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 MET A 347
ARG A 321
ILE A 352
GLU A 331
 None
 1.44A 2nsiC-1lpfA:
undetectable
2nsiD-1lpfA:
undetectable		 2nsiC-1lpfA:
20.93
2nsiD-1lpfA:
20.93
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.
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
 1.32A 2nsiC-1nj1A:
undetectable
2nsiD-1nj1A:
undetectable		 2nsiC-1nj1A:
22.44
2nsiD-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 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.02A 2nsiC-1nsaA:
0.5
2nsiD-1nsaA:
undetectable		 2nsiC-1nsaA:
23.04
2nsiD-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 2nsiC-1qw5A:
61.1
2nsiD-1qw5A:
61.1		 2nsiC-1qw5A:
85.51
2nsiD-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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.94A 2nsiC-1zliA:
undetectable
2nsiD-1zliA:
undetectable		 2nsiC-1zliA:
21.57
2nsiD-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.
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 ARG A1530
ILE A1567
PHE A1650
GLU A1652
 None
 1.50A 2nsiC-2b39A:
undetectable
2nsiD-2b39A:
undetectable		 2nsiC-2b39A:
13.65
2nsiD-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 ILE B  13
TRP A  14
PHE A  17
GLU A  15
 None
 1.36A 2nsiC-2b87B:
undetectable
2nsiD-2b87B:
undetectable		 2nsiC-2b87B:
8.25
2nsiD-2b87B:
8.25
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 MET A 164
ILE A 176
PHE A 138
GLU A 167
 None
 1.43A 2nsiC-2bwgA:
undetectable
2nsiD-2bwgA:
undetectable		 2nsiC-2bwgA:
20.94
2nsiD-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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 ARG A  55
ILE A 294
PHE A 299
GLU A 297
 None
 1.32A 2nsiC-2cy7A:
undetectable
2nsiD-2cy7A:
undetectable		 2nsiC-2cy7A:
22.50
2nsiD-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 ILE A 320
TRP A 288
PHE A 236
GLU A 239
 None
None
None
MG  A2001 ( 2.9A)
 1.45A 2nsiC-2dw6A:
0.1
2nsiD-2dw6A:
undetectable		 2nsiC-2dw6A:
23.04
2nsiD-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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 ARG A 187
ILE A 218
PHE A 249
GLU A 257
 None
 1.26A 2nsiC-2eynA:
undetectable
2nsiD-2eynA:
undetectable		 2nsiC-2eynA:
19.49
2nsiD-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.
2fkz BACTERIOFERRITIN

(Azotobacter
vinelandii) 		PF00210
(Ferritin) 		4 ARG A  30
ILE A  49
PHE A  26
GLU A  47
 None
 1.48A 2nsiC-2fkzA:
undetectable
2nsiD-2fkzA:
undetectable		 2nsiC-2fkzA:
17.13
2nsiD-2fkzA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A  11
TRP A 113
PHE A 117
GLU A 112
 None
 1.36A 2nsiC-2iukA:
undetectable
2nsiD-2iukA:
undetectable		 2nsiC-2iukA:
19.30
2nsiD-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 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.11A 2nsiC-2jc6A:
undetectable
2nsiD-2jc6A:
undetectable		 2nsiC-2jc6A:
19.73
2nsiD-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.
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
 1.41A 2nsiC-2kj8A:
1.7
2nsiD-2kj8A:
undetectable		 2nsiC-2kj8A:
14.82
2nsiD-2kj8A:
14.82
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 ARG A  37
ILE A  83
TRP A  90
PHE A  93
 None
 1.44A 2nsiC-2o2xA:
undetectable
2nsiD-2o2xA:
undetectable		 2nsiC-2o2xA:
19.82
2nsiD-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 ARG A 102
ILE A 106
PHE A 104
GLU A 133
 None
 1.49A 2nsiC-2qlzA:
1.5
2nsiD-2qlzA:
undetectable		 2nsiC-2qlzA:
17.36
2nsiD-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 ARG A  25
ILE A  17
PHE A  55
GLU A  53
 None
None
None
BU2  A 196 (-3.2A)
 0.91A 2nsiC-2rfmA:
undetectable
2nsiD-2rfmA:
undetectable		 2nsiC-2rfmA:
18.94
2nsiD-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.
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)
 1.49A 2nsiC-2vx4A:
undetectable
2nsiD-2vx4A:
undetectable		 2nsiC-2vx4A:
21.43
2nsiD-2vx4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.44A 2nsiC-2x4fA:
undetectable
2nsiD-2x4fA:
undetectable		 2nsiC-2x4fA:
23.11
2nsiD-2x4fA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.30A 2nsiC-2zf8A:
undetectable
2nsiD-2zf8A:
undetectable		 2nsiC-2zf8A:
18.96
2nsiD-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
 1.45A 2nsiC-3a4tA:
undetectable
2nsiD-3a4tA:
undetectable		 2nsiC-3a4tA:
19.82
2nsiD-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 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.02A 2nsiC-3ckbA:
undetectable
2nsiD-3ckbA:
undetectable		 2nsiC-3ckbA:
21.74
2nsiD-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 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.09A 2nsiC-3dfaA:
undetectable
2nsiD-3dfaA:
undetectable		 2nsiC-3dfaA:
21.17
2nsiD-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)
 0.28A 2nsiC-3e7gA:
61.3
2nsiD-3e7gA:
61.3		 2nsiC-3e7gA:
100.00
2nsiD-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 ARG A 260
TRP A 248
PHE A 243
GLU A 245
 None
 1.35A 2nsiC-3f3zA:
undetectable
2nsiD-3f3zA:
undetectable		 2nsiC-3f3zA:
20.85
2nsiD-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 ARG A 440
ILE A 391
PHE A 353
GLU A 395
 None
 1.17A 2nsiC-3g3oA:
undetectable
2nsiD-3g3oA:
undetectable		 2nsiC-3g3oA:
20.76
2nsiD-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 ARG A  52
ILE A 333
PHE A  20
GLU A 310
 None
 1.27A 2nsiC-3gazA:
undetectable
2nsiD-3gazA:
undetectable		 2nsiC-3gazA:
22.57
2nsiD-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 ARG A 110
ILE A  90
PHE A 140
GLU A  94
 None
 1.49A 2nsiC-3ggyA:
undetectable
2nsiD-3ggyA:
undetectable		 2nsiC-3ggyA:
17.78
2nsiD-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 ARG A 310
ILE A 301
TRP A 298
PHE A 293
 SRT  A 543 (-3.8A)
None
None
None
 1.05A 2nsiC-3igoA:
undetectable
2nsiD-3igoA:
undetectable		 2nsiC-3igoA:
21.50
2nsiD-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 MET K 958
ILE K 924
TRP K 954
PHE K 972
 None
 1.24A 2nsiC-3jblK:
undetectable
2nsiD-3jblK:
undetectable		 2nsiC-3jblK:
19.62
2nsiD-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 ARG A 152
ILE A 174
TRP A 117
PHE A 143
 None
 1.49A 2nsiC-3limA:
undetectable
2nsiD-3limA:
undetectable		 2nsiC-3limA:
18.24
2nsiD-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 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.33A 2nsiC-3q63A:
undetectable
2nsiD-3q63A:
undetectable		 2nsiC-3q63A:
15.58
2nsiD-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 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.14A 2nsiC-3rblA:
undetectable
2nsiD-3rblA:
undetectable		 2nsiC-3rblA:
21.46
2nsiD-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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		4 ARG A  42
ILE A  46
PHE A 103
GLU A  98
 None
 1.46A 2nsiC-3zidA:
0.6
2nsiD-3zidA:
undetectable		 2nsiC-3zidA:
20.74
2nsiD-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 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.19A 2nsiC-4be3A:
undetectable
2nsiD-4be3A:
undetectable		 2nsiC-4be3A:
21.10
2nsiD-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 ARG A 207
ILE A 156
PHE A 208
GLU A 245
 None
 1.40A 2nsiC-4c7vA:
undetectable
2nsiD-4c7vA:
undetectable		 2nsiC-4c7vA:
22.69
2nsiD-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 ILE A 161
TRP A 170
PHE A 169
GLU A 163
 None
 1.46A 2nsiC-4ebaA:
undetectable
2nsiD-4ebaA:
undetectable		 2nsiC-4ebaA:
20.18
2nsiD-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 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.13A 2nsiC-4fg8A:
undetectable
2nsiD-4fg8A:
undetectable		 2nsiC-4fg8A:
22.49
2nsiD-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 ILE A 175
TRP A 172
PHE A 188
GLU A 173
 None
 1.30A 2nsiC-4im4A:
undetectable
2nsiD-4im4A:
undetectable		 2nsiC-4im4A:
21.28
2nsiD-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 MET A   9
ARG A 192
ILE A  13
GLU A  11
 None
 1.46A 2nsiC-4jwtA:
undetectable
2nsiD-4jwtA:
undetectable		 2nsiC-4jwtA:
21.78
2nsiD-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 ILE B 422
TRP B 355
PHE B 342
GLU B 424
 None
 1.42A 2nsiC-4l37B:
undetectable
2nsiD-4l37B:
undetectable		 2nsiC-4l37B:
19.91
2nsiD-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 ARG A 637
ILE A 630
PHE A 695
GLU A 692
 None
 1.40A 2nsiC-4ncnA:
undetectable
2nsiD-4ncnA:
undetectable		 2nsiC-4ncnA:
20.99
2nsiD-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 MET A 360
ARG A 269
ILE A 387
PHE A 304
 None
 1.02A 2nsiC-4nnzA:
undetectable
2nsiD-4nnzA:
undetectable		 2nsiC-4nnzA:
23.35
2nsiD-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 ARG A  75
ILE A 101
PHE A 141
GLU A 162
 None
SAH  A 301 ( 4.1A)
None
None
 1.34A 2nsiC-4pneA:
undetectable
2nsiD-4pneA:
undetectable		 2nsiC-4pneA:
20.81
2nsiD-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 ARG A   9
TRP A 428
PHE A 431
GLU A 429
 None
 1.49A 2nsiC-4qbuA:
0.4
2nsiD-4qbuA:
undetectable		 2nsiC-4qbuA:
21.12
2nsiD-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 ARG B 637
ILE B 630
PHE B 695
GLU B 692
 None
 1.44A 2nsiC-4tmzB:
undetectable
2nsiD-4tmzB:
undetectable		 2nsiC-4tmzB:
23.93
2nsiD-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 ARG A  30
ILE A  49
PHE A  26
GLU A  47
 None
 1.47A 2nsiC-4u3gA:
undetectable
2nsiD-4u3gA:
undetectable		 2nsiC-4u3gA:
18.70
2nsiD-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 ARG A 347
ILE A 340
TRP A 337
GLU A 338
 None
 1.42A 2nsiC-4z4lA:
undetectable
2nsiD-4z4lA:
undetectable		 2nsiC-4z4lA:
22.78
2nsiD-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 ILE A 114
TRP A  84
PHE A 128
GLU A  45
 None
 1.32A 2nsiC-5hwtA:
undetectable
2nsiD-5hwtA:
undetectable		 2nsiC-5hwtA:
15.97
2nsiD-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 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.12A 2nsiC-5j1qA:
undetectable
2nsiD-5j1qA:
undetectable		 2nsiC-5j1qA:
20.90
2nsiD-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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		4 MET A  10
ARG A 194
ILE A  14
GLU A  12
 4CT  A 301 ( 2.9A)
4CT  A 301 ( 4.2A)
None
None
 1.44A 2nsiC-5k1zA:
undetectable
2nsiD-5k1zA:
undetectable		 2nsiC-5k1zA:
22.03
2nsiD-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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ARG A 417
ILE A 546
TRP A 587
PHE A 606
 None
 1.42A 2nsiC-5m6gA:
undetectable
2nsiD-5m6gA:
undetectable		 2nsiC-5m6gA:
23.23
2nsiD-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 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.46A 2nsiC-5m7rA:
undetectable
2nsiD-5m7rA:
undetectable		 2nsiC-5m7rA:
17.66
2nsiD-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 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.01A 2nsiC-5m8tA:
0.0
2nsiD-5m8tA:
undetectable		 2nsiC-5m8tA:
20.32
2nsiD-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 ARG A 249
ILE A 179
PHE A 581
GLU A 576
 None
 1.18A 2nsiC-5no8A:
undetectable
2nsiD-5no8A:
undetectable		 2nsiC-5no8A:
21.85
2nsiD-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 ILE A 232
TRP A 251
PHE A 247
GLU A 227
 None
 1.12A 2nsiC-5nqdA:
undetectable
2nsiD-5nqdA:
undetectable		 2nsiC-5nqdA:
10.00
2nsiD-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 ARG A1115
ILE A1136
PHE A1106
GLU A1090
 None
 1.25A 2nsiC-5o51A:
undetectable
2nsiD-5o51A:
undetectable		 2nsiC-5o51A:
10.92
2nsiD-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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ARG A 501
ILE A 535
TRP A 536
GLU A 507
 None
 1.23A 2nsiC-5ot1A:
undetectable
2nsiD-5ot1A:
undetectable		 2nsiC-5ot1A:
13.54
2nsiD-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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ILE A 237
TRP A 234
PHE A 250
GLU A 235
 None
 1.31A 2nsiC-5oydA:
undetectable
2nsiD-5oydA:
undetectable		 2nsiC-5oydA:
13.55
2nsiD-5oydA:
13.55
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 MET A  23
ILE A 102
PHE A  28
GLU A  26
 None
 1.14A 2nsiC-5t3uA:
undetectable
2nsiD-5t3uA:
undetectable		 2nsiC-5t3uA:
17.52
2nsiD-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 ILE A 278
TRP A 281
PHE A 285
GLU A 283
 None
 1.35A 2nsiC-5u6oA:
undetectable
2nsiD-5u6oA:
undetectable		 2nsiC-5u6oA:
18.98
2nsiD-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 ILE A 284
TRP A 281
PHE A 143
GLU A 282
 None
 1.43A 2nsiC-5u6oA:
undetectable
2nsiD-5u6oA:
undetectable		 2nsiC-5u6oA:
18.98
2nsiD-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 ILE A  30
TRP A  27
PHE A  63
GLU A  28
 None
 1.18A 2nsiC-5x3hA:
undetectable
2nsiD-5x3hA:
undetectable		 2nsiC-5x3hA:
22.06
2nsiD-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 ARG E  72
ILE E  80
TRP E  65
PHE E  73
 None
None
UDP  E 403 (-4.0A)
None
 1.44A 2nsiC-5xykE:
undetectable
2nsiD-5xykE:
undetectable		 2nsiC-5xykE:
11.53
2nsiD-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 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.10A 2nsiC-5y2pA:
undetectable
2nsiD-5y2pA:
undetectable		 2nsiC-5y2pA:
undetectable
2nsiD-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 ILE A   3
TRP A  87
PHE A 145
GLU A  85
 None
 0.81A 2nsiC-5yhhA:
undetectable
2nsiD-5yhhA:
undetectable		 2nsiC-5yhhA:
11.96
2nsiD-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 ARG A 500
ILE A 437
PHE A 504
GLU A 442
 NAG  A1001 ( 4.0A)
None
None
None
 1.31A 2nsiC-5zibA:
undetectable
2nsiD-5zibA:
undetectable		 2nsiC-5zibA:
undetectable
2nsiD-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.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

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