SIMILAR PATTERNS OF AMINO ACIDS FOR 3E7G_D_H4BD3902_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.
1b97 RESTRICTION
ENDONUCLEASE ECORV

(Escherichia
coli) 		PF09233
(Endonuc-EcoRV) 		4 TRP A 174
GLU A 209
ARG A   4
ILE A 129
 None
 1.44A 3e7gC-1b97A:
0.0
3e7gD-1b97A:
0.0		 3e7gC-1b97A:
20.05
3e7gD-1b97A:
20.05
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.
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
 1.22A 3e7gC-1bwyA:
undetectable
3e7gD-1bwyA:
undetectable		 3e7gC-1bwyA:
15.70
3e7gD-1bwyA:
15.70
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.
1f6b SAR1

(Cricetulus
griseus) 		PF00025
(Arf) 		4 PHE A 151
GLU A 144
MET A 177
ILE A 131
 None
 1.43A 3e7gC-1f6bA:
0.0
3e7gD-1f6bA:
undetectable		 3e7gC-1f6bA:
17.40
3e7gD-1f6bA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 3e7gC-1hraA:
undetectable
3e7gD-1hraA:
undetectable		 3e7gC-1hraA:
9.50
3e7gD-1hraA:
9.50
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.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 TRP A  36
PHE A  12
GLU A  35
ILE A  72
 None
 1.44A 3e7gC-1iktA:
undetectable
3e7gD-1iktA:
0.0		 3e7gC-1iktA:
15.67
3e7gD-1iktA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.20A 3e7gC-1js6A:
0.8
3e7gD-1js6A:
0.6		 3e7gC-1js6A:
20.81
3e7gD-1js6A:
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.45A 3e7gC-1kexA:
undetectable
3e7gD-1kexA:
undetectable		 3e7gC-1kexA:
18.21
3e7gD-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
 1.37A 3e7gC-1kobA:
undetectable
3e7gD-1kobA:
undetectable		 3e7gC-1kobA:
21.48
3e7gD-1kobA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 PHE A 254
MET A 215
ARG A  90
ILE A 205
 None
 1.38A 3e7gC-1kp0A:
0.0
3e7gD-1kp0A:
0.0		 3e7gC-1kp0A:
20.31
3e7gD-1kp0A:
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.
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
 1.36A 3e7gC-1l5jA:
0.0
3e7gD-1l5jA:
0.0		 3e7gC-1l5jA:
19.43
3e7gD-1l5jA:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.14A 3e7gC-1lzxA:
56.8
3e7gD-1lzxA:
56.9		 3e7gC-1lzxA:
65.48
3e7gD-1lzxA:
65.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.15A 3e7gC-1m9qA:
55.2
3e7gD-1m9qA:
14.4		 3e7gC-1m9qA:
60.10
3e7gD-1m9qA:
60.10
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.
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 3e7gC-1nj1A:
undetectable
3e7gD-1nj1A:
undetectable		 3e7gC-1nj1A:
22.48
3e7gD-1nj1A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 3e7gC-1nsaA:
undetectable
3e7gD-1nsaA:
undetectable		 3e7gC-1nsaA:
23.31
3e7gD-1nsaA:
23.31
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)
 0.44A 3e7gC-1qw5A:
60.3
3e7gD-1qw5A:
60.4		 3e7gC-1qw5A:
87.14
3e7gD-1qw5A:
87.14
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 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.25A 3e7gC-1qw5A:
60.3
3e7gD-1qw5A:
60.4		 3e7gC-1qw5A:
87.14
3e7gD-1qw5A:
87.14
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.23A 3e7gC-1w1kA:
undetectable
3e7gD-1w1kA:
undetectable		 3e7gC-1w1kA:
21.51
3e7gD-1w1kA:
21.51
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.16A 3e7gC-1w8gA:
undetectable
3e7gD-1w8gA:
undetectable		 3e7gC-1w8gA:
21.21
3e7gD-1w8gA:
21.21
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 169
TRP A 237
GLU A 236
TRP A 235
 None
None
CA  A1004 (-3.6A)
None
 1.12A 3e7gC-1y4jA:
undetectable
3e7gD-1y4jA:
undetectable		 3e7gC-1y4jA:
20.44
3e7gD-1y4jA:
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		4 TRP A  24
PHE A 254
GLU A 176
ILE A 179
 None
 1.38A 3e7gC-1zkdA:
undetectable
3e7gD-1zkdA:
undetectable		 3e7gC-1zkdA:
22.03
3e7gD-1zkdA:
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 0.93A 3e7gC-1zliA:
undetectable
3e7gD-1zliA:
undetectable		 3e7gC-1zliA:
21.72
3e7gD-1zliA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.36A 3e7gC-2b87A:
undetectable
3e7gD-2b87A:
undetectable		 3e7gC-2b87A:
9.03
3e7gD-2b87A:
9.03
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 138
GLU A 167
MET A 164
ILE A 176
 None
 1.44A 3e7gC-2bwgA:
undetectable
3e7gD-2bwgA:
undetectable		 3e7gC-2bwgA:
21.11
3e7gD-2bwgA:
21.11
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.28A 3e7gC-2cy7A:
undetectable
3e7gD-2cy7A:
undetectable		 3e7gC-2cy7A:
22.39
3e7gD-2cy7A:
22.39
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.
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
 1.38A 3e7gC-2dpyA:
undetectable
3e7gD-2dpyA:
undetectable		 3e7gC-2dpyA:
22.44
3e7gD-2dpyA:
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.
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 3e7gC-2dw6A:
undetectable
3e7gD-2dw6A:
0.1		 3e7gC-2dw6A:
23.23
3e7gD-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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 PHE A 249
GLU A 257
ARG A 187
ILE A 218
 None
 1.15A 3e7gC-2eynA:
undetectable
3e7gD-2eynA:
undetectable		 3e7gC-2eynA:
19.53
3e7gD-2eynA:
19.53
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.
2ge5 TYPE II RESTRICTION
ENZYME ECORV

(Escherichia
coli) 		PF09233
(Endonuc-EcoRV) 		4 TRP A 174
GLU A 209
ARG A   4
ILE A 129
 None
 1.43A 3e7gC-2ge5A:
undetectable
3e7gD-2ge5A:
undetectable		 3e7gC-2ge5A:
18.89
3e7gD-2ge5A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 PHE A  99
GLU A 101
ARG A 202
TRP A  93
 None
None
GUN  A 503 (-3.7A)
None
 1.27A 3e7gC-2i9uA:
undetectable
3e7gD-2i9uA:
undetectable		 3e7gC-2i9uA:
21.71
3e7gD-2i9uA:
21.71
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.
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 3e7gC-2jc6A:
undetectable
3e7gD-2jc6A:
undetectable		 3e7gC-2jc6A:
20.59
3e7gD-2jc6A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		4 TRP A 166
TRP A 236
GLU A 235
TRP A 234
 None
 1.25A 3e7gC-2q17A:
undetectable
3e7gD-2q17A:
undetectable		 3e7gC-2q17A:
21.57
3e7gD-2q17A:
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.
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 3e7gC-2qlzA:
undetectable
3e7gD-2qlzA:
undetectable		 3e7gC-2qlzA:
17.14
3e7gD-2qlzA:
17.14
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.
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
 0.95A 3e7gC-2rfmA:
undetectable
3e7gD-2rfmA:
undetectable		 3e7gC-2rfmA:
18.94
3e7gD-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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 TRP A 368
GLU A 371
MET A 370
TRP A 369
 None
 1.10A 3e7gC-2v4jA:
undetectable
3e7gD-2v4jA:
undetectable		 3e7gC-2v4jA:
21.30
3e7gD-2v4jA:
21.30
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.
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
 1.41A 3e7gC-2x4fA:
undetectable
3e7gD-2x4fA:
undetectable		 3e7gC-2x4fA:
23.29
3e7gD-2x4fA:
23.29
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.
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
 1.42A 3e7gC-2ycdA:
undetectable
3e7gD-2ycdA:
0.2		 3e7gC-2ycdA:
19.57
3e7gD-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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 358
GLU A 323
ARG A  17
ILE A  28
 None
 1.35A 3e7gC-2ywbA:
undetectable
3e7gD-2ywbA:
undetectable		 3e7gC-2ywbA:
21.25
3e7gD-2ywbA:
21.25
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.
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
 1.31A 3e7gC-2zf8A:
undetectable
3e7gD-2zf8A:
undetectable		 3e7gC-2zf8A:
18.96
3e7gD-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 3e7gC-3a4tA:
undetectable
3e7gD-3a4tA:
undetectable		 3e7gC-3a4tA:
20.42
3e7gD-3a4tA:
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.
3b57 LIN1889 PROTEIN

(Listeria
innocua) 		PF01966
(HD) 		4 TRP A  34
PHE A  57
GLU A  52
ILE A   6
 None
 1.01A 3e7gC-3b57A:
undetectable
3e7gD-3b57A:
undetectable		 3e7gC-3b57A:
19.44
3e7gD-3b57A:
19.44
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.
3chl ALPHA-14 GIARDIN

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 PHE A 239
GLU A 275
ARG A 198
ILE A 111
 None
 1.46A 3e7gC-3chlA:
undetectable
3e7gD-3chlA:
undetectable		 3e7gC-3chlA:
22.00
3e7gD-3chlA:
22.00
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.00A 3e7gC-3ckbA:
undetectable
3e7gD-3ckbA:
undetectable		 3e7gC-3ckbA:
20.93
3e7gD-3ckbA:
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.
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
 1.08A 3e7gC-3dfaA:
undetectable
3e7gD-3dfaA:
undetectable		 3e7gC-3dfaA:
21.33
3e7gD-3dfaA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.28A 3e7gC-3f3zA:
undetectable
3e7gD-3f3zA:
undetectable		 3e7gC-3f3zA:
20.80
3e7gD-3f3zA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3e7gC-3g3oA:
undetectable
3e7gD-3g3oA:
undetectable		 3e7gC-3g3oA:
20.70
3e7gD-3g3oA:
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.
3ggy INCREASED SODIUM
TOLERANCE PROTEIN 1

(Saccharomyces
cerevisiae) 		PF03398
(Ist1) 		4 PHE A 140
GLU A  94
ARG A 110
ILE A  90
 None
 1.43A 3e7gC-3ggyA:
undetectable
3e7gD-3ggyA:
undetectable		 3e7gC-3ggyA:
17.41
3e7gD-3ggyA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 TRP A  35
MET A  34
ARG A  54
ILE A 182
 None
 1.07A 3e7gC-3heaA:
0.5
3e7gD-3heaA:
undetectable		 3e7gC-3heaA:
19.49
3e7gD-3heaA:
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.
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
 1.39A 3e7gC-3hzpA:
undetectable
3e7gD-3hzpA:
undetectable		 3e7gC-3hzpA:
17.05
3e7gD-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.
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
 1.08A 3e7gC-3igoA:
undetectable
3e7gD-3igoA:
undetectable		 3e7gC-3igoA:
21.88
3e7gD-3igoA:
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.
3lim FRAGACEATOXIN C

(Actinia
fragacea) 		PF06369
(Anemone_cytotox) 		4 TRP A 117
PHE A 143
ARG A 152
ILE A 174
 None
 1.46A 3e7gC-3limA:
undetectable
3e7gD-3limA:
undetectable		 3e7gC-3limA:
16.35
3e7gD-3limA:
16.35
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.42A 3e7gC-3q63A:
undetectable
3e7gD-3q63A:
undetectable		 3e7gC-3q63A:
15.71
3e7gD-3q63A:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3e7gC-4be3A:
undetectable
3e7gD-4be3A:
undetectable		 3e7gC-4be3A:
21.35
3e7gD-4be3A:
21.35
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.
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
 1.43A 3e7gC-4c7vA:
undetectable
3e7gD-4c7vA:
undetectable		 3e7gC-4c7vA:
20.75
3e7gD-4c7vA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.46A 3e7gC-4ebaA:
undetectable
3e7gD-4ebaA:
undetectable		 3e7gC-4ebaA:
21.11
3e7gD-4ebaA:
21.11
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 TRP A 282
TRP A  38
ARG A 297
ILE A   7
 None
 1.29A 3e7gC-4ee9A:
undetectable
3e7gD-4ee9A:
undetectable		 3e7gC-4ee9A:
22.35
3e7gD-4ee9A:
22.35
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.
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 3e7gC-4fg8A:
undetectable
3e7gD-4fg8A:
undetectable		 3e7gC-4fg8A:
22.39
3e7gD-4fg8A:
22.39
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 PHE A 290
GLU A 249
MET A 246
ILE A 327
 None
 1.46A 3e7gC-4fmvA:
undetectable
3e7gD-4fmvA:
undetectable		 3e7gC-4fmvA:
22.39
3e7gD-4fmvA:
22.39
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 TRP A 172
PHE A 188
GLU A 173
ILE A 175
 None
 1.33A 3e7gC-4im4A:
0.1
3e7gD-4im4A:
0.1		 3e7gC-4im4A:
21.74
3e7gD-4im4A:
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 TRP A  58
TRP A 143
PHE A 158
ARG A 239
 None
 1.34A 3e7gC-4j3qA:
0.5
3e7gD-4j3qA:
0.6		 3e7gC-4j3qA:
22.43
3e7gD-4j3qA:
22.43
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.
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 3e7gC-4jwtA:
undetectable
3e7gD-4jwtA:
undetectable		 3e7gC-4jwtA:
21.58
3e7gD-4jwtA:
21.58
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.
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
 1.36A 3e7gC-4l37B:
undetectable
3e7gD-4l37B:
undetectable		 3e7gC-4l37B:
19.88
3e7gD-4l37B:
19.88
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.
4lk4 VESB PROTEASE

(Vibrio cholerae) 		PF00089
(Trypsin) 		4 TRP A  44
GLU A 179
ILE A 176
TRP A 162
 None
 1.22A 3e7gC-4lk4A:
undetectable
3e7gD-4lk4A:
undetectable		 3e7gC-4lk4A:
22.83
3e7gD-4lk4A:
22.83
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.
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
 1.42A 3e7gC-4ncnA:
0.5
3e7gD-4ncnA:
undetectable		 3e7gC-4ncnA:
21.12
3e7gD-4ncnA:
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.
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
 1.11A 3e7gC-4nnzA:
undetectable
3e7gD-4nnzA:
undetectable		 3e7gC-4nnzA:
23.28
3e7gD-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)
 1.46A 3e7gC-4pneA:
undetectable
3e7gD-4pneA:
undetectable		 3e7gC-4pneA:
22.22
3e7gD-4pneA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.47A 3e7gC-4rgwA:
undetectable
3e7gD-4rgwA:
undetectable		 3e7gC-4rgwA:
21.14
3e7gD-4rgwA:
21.14
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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 TRP A 156
GLU A 157
ARG A 206
ILE A 200
 None
 1.21A 3e7gC-4trbA:
undetectable
3e7gD-4trbA:
undetectable		 3e7gC-4trbA:
20.44
3e7gD-4trbA:
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 TRP A 299
TRP A 361
GLU A 360
TRP A 359
 None
None
CA  A 517 (-3.9A)
None
 1.12A 3e7gC-4x8dA:
undetectable
3e7gD-4x8dA:
undetectable		 3e7gC-4x8dA:
21.44
3e7gD-4x8dA:
21.44
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
ILE A 271
 None
 1.24A 3e7gC-4xj6A:
undetectable
3e7gD-4xj6A:
undetectable		 3e7gC-4xj6A:
22.95
3e7gD-4xj6A:
22.95
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.
5a0n PROTEIN F2 LIKE
FIBRONECTIN-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 TRP A 240
PHE A 246
ARG A 100
ILE A 112
 None
 1.41A 3e7gC-5a0nA:
undetectable
3e7gD-5a0nA:
undetectable		 3e7gC-5a0nA:
17.76
3e7gD-5a0nA:
17.76
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2471
PHE A2357
ILE A2396
TRP A2459
 None
 1.38A 3e7gC-5b4xA:
undetectable
3e7gD-5b4xA:
undetectable		 3e7gC-5b4xA:
19.78
3e7gD-5b4xA:
19.78
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.
5dxd PUTATIVE
BETA-GLUCANASE

(Mycobacteroides
abscessus) 		PF00722
(Glyco_hydro_16) 		4 TRP A 126
GLU A 146
ILE A 175
TRP A 147
 None
 1.13A 3e7gC-5dxdA:
undetectable
3e7gD-5dxdA:
undetectable		 3e7gC-5dxdA:
20.37
3e7gD-5dxdA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 TRP B 163
PHE B 164
MET B  14
ILE B 158
 None
 1.17A 3e7gC-5ecoB:
undetectable
3e7gD-5ecoB:
undetectable		 3e7gC-5ecoB:
17.84
3e7gD-5ecoB:
17.84
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.
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
 1.44A 3e7gC-5furG:
undetectable
3e7gD-5furG:
undetectable		 3e7gC-5furG:
12.64
3e7gD-5furG:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.11A 3e7gC-5j1qA:
undetectable
3e7gD-5j1qA:
undetectable		 3e7gC-5j1qA:
21.28
3e7gD-5j1qA:
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.
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
 1.43A 3e7gC-5jnuA:
undetectable
3e7gD-5jnuA:
undetectable		 3e7gC-5jnuA:
16.71
3e7gD-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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 TRP A 399
GLU A 394
ARG A 539
ILE A 506
 None
 1.45A 3e7gC-5jtaA:
undetectable
3e7gD-5jtaA:
undetectable		 3e7gC-5jtaA:
20.68
3e7gD-5jtaA:
20.68
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.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 TRP A 399
GLU A 394
ARG A 539
ILE A 506
 None
 1.32A 3e7gC-5m4aA:
undetectable
3e7gD-5m4aA:
undetectable		 3e7gC-5m4aA:
23.58
3e7gD-5m4aA:
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.46A 3e7gC-5m7rA:
undetectable
3e7gD-5m7rA:
undetectable		 3e7gC-5m7rA:
18.14
3e7gD-5m7rA:
18.14
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.
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 3e7gC-5m8tA:
undetectable
3e7gD-5m8tA:
undetectable		 3e7gC-5m8tA:
20.93
3e7gD-5m8tA:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		4 TRP A 286
TRP A 290
MET A 323
ILE A 320
 None
 0.95A 3e7gC-5mswA:
undetectable
3e7gD-5mswA:
undetectable		 3e7gC-5mswA:
15.38
3e7gD-5mswA:
15.38
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 PHE A 581
GLU A 576
ARG A 249
ILE A 179
 None
 1.15A 3e7gC-5no8A:
undetectable
3e7gD-5no8A:
undetectable		 3e7gC-5no8A:
20.49
3e7gD-5no8A:
20.49
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.
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
 1.14A 3e7gC-5nqdA:
undetectable
3e7gD-5nqdA:
undetectable		 3e7gC-5nqdA:
10.70
3e7gD-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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 160
TRP A 230
GLU A 229
TRP A 228
 None
None
CA  A 407 (-3.9A)
ACT  A 405 (-3.9A)
 1.14A 3e7gC-5nyyA:
undetectable
3e7gD-5nyyA:
undetectable		 3e7gC-5nyyA:
20.91
3e7gD-5nyyA:
20.91
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 PHE A1106
GLU A1090
ARG A1115
ILE A1136
 None
 1.33A 3e7gC-5o51A:
undetectable
3e7gD-5o51A:
undetectable		 3e7gC-5o51A:
11.14
3e7gD-5o51A:
11.14
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.
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 3e7gC-5odrA:
undetectable
3e7gD-5odrA:
undetectable		 3e7gC-5odrA:
21.23
3e7gD-5odrA:
21.23
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 4 GLU A 521
MET A 224
ILE A 239
TRP A 226
 None
 1.43A 3e7gC-5opqA:
undetectable
3e7gD-5opqA:
undetectable		 3e7gC-5opqA:
11.03
3e7gD-5opqA:
11.03
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 TRP A  58
TRP A 143
PHE A 158
ARG A 239
 None
 1.39A 3e7gC-5or4A:
0.3
3e7gD-5or4A:
0.4		 3e7gC-5or4A:
15.38
3e7gD-5or4A:
15.38
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 TRP A 234
PHE A 250
GLU A 235
ILE A 237
 None
 1.34A 3e7gC-5oydA:
undetectable
3e7gD-5oydA:
undetectable		 3e7gC-5oydA:
11.79
3e7gD-5oydA:
11.79
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 PHE A  28
GLU A  26
MET A  23
ILE A 102
 None
 1.05A 3e7gC-5t3uA:
undetectable
3e7gD-5t3uA:
undetectable		 3e7gC-5t3uA:
16.98
3e7gD-5t3uA:
16.98
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 PHE A 285
GLU A 283
ILE A 278
TRP A 281
 None
 1.38A 3e7gC-5u6oA:
undetectable
3e7gD-5u6oA:
undetectable		 3e7gC-5u6oA:
19.32
3e7gD-5u6oA:
19.32
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 TRP A  27
PHE A  63
GLU A  28
ILE A  30
 None
 1.18A 3e7gC-5x3hA:
undetectable
3e7gD-5x3hA:
undetectable		 3e7gC-5x3hA:
22.06
3e7gD-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.
5y2p -

(-) 		no annotation 4 PHE A 264
GLU A 262
ARG A  30
ILE A 236
 None
 1.05A 3e7gC-5y2pA:
undetectable
3e7gD-5y2pA:
undetectable		 3e7gC-5y2pA:
undetectable
3e7gD-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 3e7gC-5yhhA:
undetectable
3e7gD-5yhhA:
undetectable		 3e7gC-5yhhA:
11.33
3e7gD-5yhhA:
11.33
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.37A 3e7gC-5zibA:
undetectable
3e7gD-5zibA:
undetectable		 3e7gC-5zibA:
undetectable
3e7gD-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
 1.31A 3e7gC-5zvtB:
undetectable
3e7gD-5zvtB:
undetectable		 3e7gC-5zvtB:
10.61
3e7gD-5zvtB:
10.61
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.
6d34 TERC

(Streptomyces) 		no annotation 4 TRP A 161
MET A 171
ARG A 143
ILE A 174
 None
IPA  A 202 ( 4.1A)
IPA  A 201 (-2.8A)
None
 1.45A 3e7gC-6d34A:
undetectable
3e7gD-6d34A:
undetectable		 3e7gC-6d34A:
10.86
3e7gD-6d34A:
10.86
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.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 PHE A1889
GLU A1810
MET A1807
ILE A1805
 None
 1.12A 3e7gC-6fghA:
undetectable
3e7gD-6fghA:
undetectable		 3e7gC-6fghA:
14.24
3e7gD-6fghA:
14.24