SIMILAR PATTERNS OF AMINO ACIDS FOR 4CX7_B_H4BB600_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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		4 HIS A 222
GLU A 185
ILE A 162
TRP A 187
 None
None
None
NDP  A 300 ( 3.4A)
 1.37A 4cx7A-1a80A:
0.0
4cx7B-1a80A:
0.0		 4cx7A-1a80A:
19.91
4cx7B-1a80A:
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.
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
 1.15A 4cx7A-1bwyA:
undetectable
4cx7B-1bwyA:
undetectable		 4cx7A-1bwyA:
16.24
4cx7B-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.
1f6b SAR1

(Cricetulus
griseus) 		PF00025
(Arf) 		4 PHE A 151
GLU A 144
MET A 177
ILE A 131
 None
 1.37A 4cx7A-1f6bA:
0.0
4cx7B-1f6bA:
0.0		 4cx7A-1f6bA:
17.05
4cx7B-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.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		4 HIS A  40
GLU A 106
ARG A 123
ILE A 280
 None
 1.32A 4cx7A-1fhfA:
0.0
4cx7B-1fhfA:
0.1		 4cx7A-1fhfA:
20.27
4cx7B-1fhfA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4cx7A-1hraA:
undetectable
4cx7B-1hraA:
undetectable		 4cx7A-1hraA:
9.79
4cx7B-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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		4 PHE A 107
HIS A 106
GLU A 105
ILE A  90
 None
ZN  A 600 (-3.3A)
None
None
 1.14A 4cx7A-1irxA:
0.0
4cx7B-1irxA:
0.0		 4cx7A-1irxA:
21.42
4cx7B-1irxA:
21.42
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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		4 PHE A  66
HIS A  60
GLU A   8
ILE A 110
 None
 1.35A 4cx7A-1j85A:
undetectable
4cx7B-1j85A:
undetectable		 4cx7A-1j85A:
15.91
4cx7B-1j85A:
15.91
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.19A 4cx7A-1js6A:
0.2
4cx7B-1js6A:
0.3		 4cx7A-1js6A:
21.05
4cx7B-1js6A:
21.05
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 TRP A 307
PHE A 284
GLU A 280
ILE A 152
 None
 1.36A 4cx7A-1kobA:
undetectable
4cx7B-1kobA:
undetectable		 4cx7A-1kobA:
20.70
4cx7B-1kobA:
20.70
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 676
PHE A 691
HIS A 692
GLU A 694
 None
 0.18A 4cx7A-1lzxA:
56.7
4cx7B-1lzxA:
56.5		 4cx7A-1lzxA:
65.71
4cx7B-1lzxA:
65.71
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 445
PHE A 460
HIS A 461
GLU A 463
 MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
None
 0.21A 4cx7A-1m9qA:
55.1
4cx7B-1m9qA:
55.0		 4cx7A-1m9qA:
59.43
4cx7B-1m9qA:
59.43
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.
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
 1.27A 4cx7A-1nj1A:
undetectable
4cx7B-1nj1A:
undetectable		 4cx7A-1nj1A:
22.44
4cx7B-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.
1nq7 NUCLEAR RECEPTOR
ROR-BETA

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		4 HIS A 223
GLU A 225
ARG A 306
ILE A 280
 None
None
ARL  A 800 (-4.4A)
None
 1.29A 4cx7A-1nq7A:
undetectable
4cx7B-1nq7A:
undetectable		 4cx7A-1nq7A:
20.89
4cx7B-1nq7A:
20.89
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.
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 4cx7A-1nsaA:
undetectable
4cx7B-1nsaA:
undetectable		 4cx7A-1nsaA:
23.04
4cx7B-1nsaA:
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A 527
HIS A 510
GLU A 517
TRP A 518
 None
 1.24A 4cx7A-1pvdA:
undetectable
4cx7B-1pvdA:
undetectable		 4cx7A-1pvdA:
21.04
4cx7B-1pvdA:
21.04
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)
 0.35A 4cx7A-1qw5A:
60.0
4cx7B-1qw5A:
59.9		 4cx7A-1qw5A:
85.51
4cx7B-1qw5A:
85.51
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 455
PHE A 470
HIS A 471
GLU A 473
 None
 0.18A 4cx7A-1qw5A:
60.0
4cx7B-1qw5A:
59.9		 4cx7A-1qw5A:
85.51
4cx7B-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.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		4 TRP A 203
PHE A 177
HIS A 211
ARG A 213
 None
None
ZN  A 400 (-3.0A)
None
 1.34A 4cx7A-1u10A:
undetectable
4cx7B-1u10A:
undetectable		 4cx7A-1u10A:
20.09
4cx7B-1u10A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmj HYPOTHETICAL PROTEIN
TM0723

(Thermotoga
maritima) 		PF01894
(UPF0047) 		4 PHE A 120
HIS A  60
GLU A  17
ILE A  21
 None
 1.21A 4cx7A-1vmjA:
undetectable
4cx7B-1vmjA:
undetectable		 4cx7A-1vmjA:
15.44
4cx7B-1vmjA:
15.44
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.
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
 1.24A 4cx7A-1w1kA:
undetectable
4cx7B-1w1kA:
undetectable		 4cx7A-1w1kA:
21.72
4cx7B-1w1kA:
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		4 PHE A1005
HIS A1030
GLU A1318
ILE A1116
 None
 1.27A 4cx7A-1yxoA:
undetectable
4cx7B-1yxoA:
undetectable		 4cx7A-1yxoA:
22.25
4cx7B-1yxoA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 0.96A 4cx7A-1zliA:
undetectable
4cx7B-1zliA:
undetectable		 4cx7A-1zliA:
21.57
4cx7B-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
 1.31A 4cx7A-1zq1A:
undetectable
4cx7B-1zq1A:
undetectable		 4cx7A-1zq1A:
20.42
4cx7B-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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.33A 4cx7A-2cy7A:
undetectable
4cx7B-2cy7A:
undetectable		 4cx7A-2cy7A:
22.50
4cx7B-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.
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 4cx7A-2e3zA:
undetectable
4cx7B-2e3zA:
undetectable		 4cx7A-2e3zA:
23.58
4cx7B-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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 TRP A 652
HIS A 681
ARG A 709
ILE A 667
 None
 1.28A 4cx7A-2eaeA:
undetectable
4cx7B-2eaeA:
undetectable		 4cx7A-2eaeA:
19.03
4cx7B-2eaeA:
19.03
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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 PHE A 249
GLU A 257
ARG A 187
ILE A 218
 None
 1.29A 4cx7A-2eynA:
undetectable
4cx7B-2eynA:
undetectable		 4cx7A-2eynA:
19.49
4cx7B-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.
2f6s CELL FILAMENTATION
PROTEIN, PUTATIVE

(Helicobacter
pylori) 		PF02661
(Fic) 		4 PHE A  98
HIS A  35
GLU A  33
ILE A  28
 None
 1.35A 4cx7A-2f6sA:
undetectable
4cx7B-2f6sA:
undetectable		 4cx7A-2f6sA:
19.25
4cx7B-2f6sA:
19.25
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.
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
 1.36A 4cx7A-2i9uA:
undetectable
4cx7B-2i9uA:
undetectable		 4cx7A-2i9uA:
21.31
4cx7B-2i9uA:
21.31
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.
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
 1.10A 4cx7A-2jc6A:
undetectable
4cx7B-2jc6A:
undetectable		 4cx7A-2jc6A:
19.73
4cx7B-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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		4 HIS A 109
GLU A 120
MET A 116
ILE A 122
 FE  A 401 (-3.4A)
None
None
None
 1.33A 4cx7A-2o08A:
undetectable
4cx7B-2o08A:
undetectable		 4cx7A-2o08A:
18.08
4cx7B-2o08A:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ra8 UNCHARACTERIZED
PROTEIN Q64V53_BACFR

(Bacteroides
fragilis) 		PF05406
(WGR) 		4 PHE A 141
HIS A 140
GLU A 136
ILE A 131
 None
 1.28A 4cx7A-2ra8A:
undetectable
4cx7B-2ra8A:
undetectable		 4cx7A-2ra8A:
21.78
4cx7B-2ra8A:
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		4 PHE A  56
HIS A  64
GLU A  66
ILE A  70
 HEM  A 410 (-4.7A)
HEM  A 410 (-3.9A)
None
None
 1.36A 4cx7A-2rfbA:
undetectable
4cx7B-2rfbA:
undetectable		 4cx7A-2rfbA:
19.48
4cx7B-2rfbA:
19.48
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.
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
 0.89A 4cx7A-2rfmA:
undetectable
4cx7B-2rfmA:
undetectable		 4cx7A-2rfmA:
18.94
4cx7B-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.
2zae RIBONUCLEASE P
PROTEIN COMPONENT 1

(Pyrococcus
horikoshii) 		PF01868
(UPF0086) 		4 PHE A  63
HIS A  60
MET A  77
ILE A  80
 GOL  A 132 ( 4.5A)
GOL  A 132 ( 4.4A)
None
None
 1.34A 4cx7A-2zaeA:
undetectable
4cx7B-2zaeA:
undetectable		 4cx7A-2zaeA:
15.21
4cx7B-2zaeA:
15.21
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 PHE A 263
HIS A  77
GLU A 268
ILE A 270
 None
 1.36A 4cx7A-3ai7A:
undetectable
4cx7B-3ai7A:
undetectable		 4cx7A-3ai7A:
19.52
4cx7B-3ai7A:
19.52
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.
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 4cx7A-3dfaA:
undetectable
4cx7B-3dfaA:
undetectable		 4cx7A-3dfaA:
21.17
4cx7B-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)
 0.42A 4cx7A-3e7gA:
60.7
4cx7B-3e7gA:
60.5		 4cx7A-3e7gA:
100.00
4cx7B-3e7gA:
100.00
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 TRP A 461
PHE A 476
HIS A 477
GLU A 479
 None
 0.12A 4cx7A-3e7gA:
60.7
4cx7B-3e7gA:
60.5		 4cx7A-3e7gA:
100.00
4cx7B-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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 164
GLU B  27
ARG B 157
ILE B 129
 None
FE2  B 188 ( 4.7A)
None
None
 1.16A 4cx7A-3eqqB:
undetectable
4cx7B-3eqqB:
undetectable		 4cx7A-3eqqB:
17.86
4cx7B-3eqqB:
17.86
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.
3fai BETA-LACTAMASE

(Aeromonas
hydrophila) 		PF00753
(Lactamase_B) 		4 HIS A 263
GLU A  56
ARG A 121
ILE A 260
 ZN  A   1 ( 3.2A)
None
ZN  A   1 ( 4.6A)
None
 1.20A 4cx7A-3faiA:
undetectable
4cx7B-3faiA:
undetectable		 4cx7A-3faiA:
20.56
4cx7B-3faiA:
20.56
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 PHE A 353
GLU A 395
ARG A 440
ILE A 391
 None
 1.19A 4cx7A-3g3oA:
undetectable
4cx7B-3g3oA:
undetectable		 4cx7A-3g3oA:
20.76
4cx7B-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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		4 HIS A 100
GLU A  50
ARG A 103
ILE A  60
 None
 1.26A 4cx7A-3g7uA:
undetectable
4cx7B-3g7uA:
undetectable		 4cx7A-3g7uA:
21.14
4cx7B-3g7uA:
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.
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
 1.30A 4cx7A-3gazA:
undetectable
4cx7B-3gazA:
undetectable		 4cx7A-3gazA:
22.57
4cx7B-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.
3i71 ETHANOLAMINE
UTILIZATION PROTEIN
EUTK

(Escherichia
coli) 		PF16365
(EutK_C) 		4 PHE A 134
HIS A 133
GLU A 129
MET A 125
 None
 0.91A 4cx7A-3i71A:
undetectable
4cx7B-3i71A:
undetectable		 4cx7A-3i71A:
9.84
4cx7B-3i71A:
9.84
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.
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
 1.05A 4cx7A-3igoA:
undetectable
4cx7B-3igoA:
undetectable		 4cx7A-3igoA:
21.50
4cx7B-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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 TRP A  55
HIS A  36
GLU A  38
ILE A  98
 None
 1.20A 4cx7A-3iveA:
undetectable
4cx7B-3iveA:
undetectable		 4cx7A-3iveA:
24.64
4cx7B-3iveA:
24.64
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 363
HIS A 224
GLU A 228
ARG A 270
 None
 1.26A 4cx7A-3ixwA:
undetectable
4cx7B-3ixwA:
undetectable		 4cx7A-3ixwA:
21.82
4cx7B-3ixwA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l9v PUTATIVE
THIOL-DISULFIDE
ISOMERASE OR
THIOREDOXIN

(Salmonella
enterica) 		PF01323
(DSBA) 		4 PHE A  25
HIS A  57
MET A  76
ILE A  84
 None
 1.26A 4cx7A-3l9vA:
undetectable
4cx7B-3l9vA:
undetectable		 4cx7A-3l9vA:
16.71
4cx7B-3l9vA:
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 TRP B 187
MET B 410
ILE B 407
TRP B 406
 None
 1.29A 4cx7A-3n2zB:
undetectable
4cx7B-3n2zB:
undetectable		 4cx7A-3n2zB:
21.06
4cx7B-3n2zB:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		4 PHE A  66
HIS A  60
GLU A   8
ILE A 115
 None
 1.32A 4cx7A-3n4kA:
undetectable
4cx7B-3n4kA:
undetectable		 4cx7A-3n4kA:
15.30
4cx7B-3n4kA:
15.30
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.
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 PHE A 204
HIS A 259
GLU A 258
ILE A 211
 None
 1.10A 4cx7A-3p77A:
undetectable
4cx7B-3p77A:
undetectable		 4cx7A-3p77A:
23.13
4cx7B-3p77A:
23.13
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.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		4 HIS A  79
GLU A  89
ARG A  77
ILE A   4
 None
 1.10A 4cx7A-3q2wA:
undetectable
4cx7B-3q2wA:
undetectable		 4cx7A-3q2wA:
21.32
4cx7B-3q2wA:
21.32
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 HIS A 263
GLU A  55
ARG A 121
ILE A 260
 ZN  A   2 ( 3.3A)
None
ZN  A   2 ( 4.5A)
None
 1.27A 4cx7A-3q6vA:
undetectable
4cx7B-3q6vA:
undetectable		 4cx7A-3q6vA:
19.13
4cx7B-3q6vA:
19.13
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.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		4 HIS A 108
GLU A 113
ILE A  20
TRP A  16
 None
 1.34A 4cx7A-3qptA:
undetectable
4cx7B-3qptA:
undetectable		 4cx7A-3qptA:
16.28
4cx7B-3qptA:
16.28
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		4 PHE A  36
HIS A  72
GLU A 421
ILE A 424
 None
 1.15A 4cx7A-3qt3A:
undetectable
4cx7B-3qt3A:
undetectable		 4cx7A-3qt3A:
23.25
4cx7B-3qt3A:
23.25
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.
3qzc PERIPLASMIC PROTEIN
CPXP

(Escherichia
coli) 		PF07813
(LTXXQ) 		4 HIS A 136
GLU A 134
ARG A 139
ILE A  49
 ZN  A   2 (-3.2A)
None
None
None
 1.20A 4cx7A-3qzcA:
undetectable
4cx7B-3qzcA:
undetectable		 4cx7A-3qzcA:
12.76
4cx7B-3qzcA:
12.76
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.
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
 1.11A 4cx7A-3rblA:
undetectable
4cx7B-3rblA:
undetectable		 4cx7A-3rblA:
21.46
4cx7B-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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 PHE A 159
HIS A 152
GLU A 124
ILE A 100
 None
None
DSH  A 303 (-2.6A)
None
 1.36A 4cx7A-3rw9A:
undetectable
4cx7B-3rw9A:
undetectable		 4cx7A-3rw9A:
20.85
4cx7B-3rw9A:
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.
4ano ESSB

(Geobacillus
thermodenitrificans) 		PF10140
(YukC) 		4 HIS A 124
GLU A   9
MET A  16
ILE A  25
 None
 1.23A 4cx7A-4anoA:
undetectable
4cx7B-4anoA:
undetectable		 4cx7A-4anoA:
19.80
4cx7B-4anoA:
19.80
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 TRP A 190
PHE A 259
GLU A 179
ILE A 269
 None
 1.14A 4cx7A-4be3A:
undetectable
4cx7B-4be3A:
undetectable		 4cx7A-4be3A:
21.10
4cx7B-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
 1.36A 4cx7A-4c7vA:
undetectable
4cx7B-4c7vA:
undetectable		 4cx7A-4c7vA:
22.69
4cx7B-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.
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
 1.12A 4cx7A-4fg8A:
undetectable
4cx7B-4fg8A:
undetectable		 4cx7A-4fg8A:
22.49
4cx7B-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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 221
PHE A 128
GLU A 222
ILE A 219
 None
 1.37A 4cx7A-4h3eA:
undetectable
4cx7B-4h3eA:
undetectable		 4cx7A-4h3eA:
19.46
4cx7B-4h3eA:
19.46
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.
4i0p HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DM BETA
CHAIN

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 PHE B 122
HIS B 178
GLU B 177
ILE B 129
 None
 1.19A 4cx7A-4i0pB:
undetectable
4cx7B-4i0pB:
undetectable		 4cx7A-4i0pB:
15.74
4cx7B-4i0pB:
15.74
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 4 PHE A 265
HIS A 282
GLU A 212
ILE A 279
 None
 1.37A 4cx7A-4iikA:
undetectable
4cx7B-4iikA:
undetectable		 4cx7A-4iikA:
20.27
4cx7B-4iikA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 TRP A 172
PHE A 188
GLU A 173
ILE A 175
 None
 1.31A 4cx7A-4im4A:
undetectable
4cx7B-4im4A:
undetectable		 4cx7A-4im4A:
21.28
4cx7B-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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		4 PHE A  66
HIS A  60
GLU A   8
ILE A 110
 None
 1.36A 4cx7A-4kdzA:
undetectable
4cx7B-4kdzA:
undetectable		 4cx7A-4kdzA:
15.14
4cx7B-4kdzA:
15.14
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		4 PHE A  21
HIS A 679
GLU A 681
ILE A 700
 None
 1.25A 4cx7A-4krfA:
undetectable
4cx7B-4krfA:
undetectable		 4cx7A-4krfA:
18.82
4cx7B-4krfA:
18.82
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.
4lcc BETA-2-MICROGLOBULIN
, MHC CLASS
I-RELATED PROTEIN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 PHE C 318
HIS C 373
GLU C 372
ILE C 325
 None
 1.15A 4cx7A-4lccC:
undetectable
4cx7B-4lccC:
undetectable		 4cx7A-4lccC:
20.34
4cx7B-4lccC:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mbg CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus) 		PF00432
(Prenyltrans) 		4 PHE B 498
HIS B 495
GLU B 506
ILE B 508
 None
 1.33A 4cx7A-4mbgB:
undetectable
4cx7B-4mbgB:
undetectable		 4cx7A-4mbgB:
21.54
4cx7B-4mbgB:
21.54
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.
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
 1.14A 4cx7A-4nnzA:
undetectable
4cx7B-4nnzA:
undetectable		 4cx7A-4nnzA:
23.35
4cx7B-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)
 1.28A 4cx7A-4pneA:
undetectable
4cx7B-4pneA:
undetectable		 4cx7A-4pneA:
20.81
4cx7B-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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 TRP A 156
GLU A 157
ARG A 206
ILE A 200
 None
 1.30A 4cx7A-4trbA:
undetectable
4cx7B-4trbA:
undetectable		 4cx7A-4trbA:
18.29
4cx7B-4trbA:
18.29
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.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		4 PHE A 144
GLU A 240
MET A 148
ILE A 122
 None
BDP  A 401 (-2.9A)
None
None
 1.36A 4cx7A-4x04A:
undetectable
4cx7B-4x04A:
undetectable		 4cx7A-4x04A:
19.27
4cx7B-4x04A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		4 HIS A 188
GLU A 184
ARG A 160
ILE A 206
 None
None
PAF  A 401 (-3.0A)
None
 1.06A 4cx7A-4xeqA:
undetectable
4cx7B-4xeqA:
undetectable		 4cx7A-4xeqA:
23.11
4cx7B-4xeqA:
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2471
PHE A2357
ILE A2396
TRP A2459
 None
 1.35A 4cx7A-5b4xA:
undetectable
4cx7B-5b4xA:
undetectable		 4cx7A-5b4xA:
19.75
4cx7B-5b4xA:
19.75
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 HIS A 400
GLU A 402
ILE A 407
TRP A 404
 None
 1.01A 4cx7A-5fq6A:
undetectable
4cx7B-5fq6A:
undetectable		 4cx7A-5fq6A:
21.79
4cx7B-5fq6A:
21.79
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.
5hes MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE A 253
HIS A 122
GLU A 124
ILE A 257
 None
 1.24A 4cx7A-5hesA:
undetectable
4cx7B-5hesA:
undetectable		 4cx7A-5hesA:
21.99
4cx7B-5hesA:
21.99
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.
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 4cx7A-5hwtA:
undetectable
4cx7B-5hwtA:
undetectable		 4cx7A-5hwtA:
15.97
4cx7B-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.
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
 1.34A 4cx7A-5m15C:
undetectable
4cx7B-5m15C:
undetectable		 4cx7A-5m15C:
14.62
4cx7B-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.
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
 1.06A 4cx7A-5m8tA:
undetectable
4cx7B-5m8tA:
undetectable		 4cx7A-5m8tA:
20.32
4cx7B-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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		4 PHE A1056
HIS A 971
GLU A 969
ILE A 939
 None
 1.36A 4cx7A-5msoA:
undetectable
4cx7B-5msoA:
undetectable		 4cx7A-5msoA:
16.19
4cx7B-5msoA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4cx7A-5nqdA:
undetectable
4cx7B-5nqdA:
undetectable		 4cx7A-5nqdA:
10.00
4cx7B-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.
5o0y SERINE/THREONINE-PRO
TEIN KINASE
TOUSLED-LIKE 2

(Homo sapiens) 		no annotation 4 PHE A 614
HIS A 518
GLU A 520
ILE A 588
 None
 1.00A 4cx7A-5o0yA:
undetectable
4cx7B-5o0yA:
undetectable		 4cx7A-5o0yA:
10.78
4cx7B-5o0yA:
10.78
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 4 PHE A 383
HIS A 443
GLU A 445
ILE A 371
 None
FMT  A 603 ( 4.4A)
None
None
 1.21A 4cx7A-5odoA:
undetectable
4cx7B-5odoA:
undetectable		 4cx7A-5odoA:
22.83
4cx7B-5odoA:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 GLU A 507
ARG A 501
ILE A 535
TRP A 536
 None
 1.31A 4cx7A-5ot1A:
undetectable
4cx7B-5ot1A:
undetectable		 4cx7A-5ot1A:
13.54
4cx7B-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
 1.29A 4cx7A-5t3uA:
undetectable
4cx7B-5t3uA:
undetectable		 4cx7A-5t3uA:
17.52
4cx7B-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.
5t4m PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		4 PHE A 316
HIS A 337
GLU A 267
ARG A 315
 None
 1.15A 4cx7A-5t4mA:
undetectable
4cx7B-5t4mA:
undetectable		 4cx7A-5t4mA:
21.68
4cx7B-5t4mA:
21.68
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.
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 4cx7A-5u6oA:
undetectable
4cx7B-5u6oA:
undetectable		 4cx7A-5u6oA:
18.98
4cx7B-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 4cx7A-5x3hA:
undetectable
4cx7B-5x3hA:
undetectable		 4cx7A-5x3hA:
22.06
4cx7B-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
 1.10A 4cx7A-5y2pA:
undetectable
4cx7B-5y2pA:
undetectable		 4cx7A-5y2pA:
undetectable
4cx7B-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
 0.75A 4cx7A-5yhhA:
undetectable
4cx7B-5yhhA:
undetectable		 4cx7A-5yhhA:
11.96
4cx7B-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
 1.35A 4cx7A-5zibA:
undetectable
4cx7B-5zibA:
undetectable		 4cx7A-5zibA:
undetectable
4cx7B-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
 1.18A 4cx7A-5zvtB:
undetectable
4cx7B-5zvtB:
undetectable		 4cx7A-5zvtB:
10.45
4cx7B-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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 HIS A 414
GLU A 416
ARG A 364
ILE A 421
 None
 0.98A 4cx7A-6b3bA:
undetectable
4cx7B-6b3bA:
undetectable		 4cx7A-6b3bA:
21.87
4cx7B-6b3bA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE U 748
GLU U 731
ARG U 760
ILE U 733
 None
 1.33A 4cx7A-6bk8U:
undetectable
4cx7B-6bk8U:
undetectable		 4cx7A-6bk8U:
11.54
4cx7B-6bk8U:
11.54
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 4 HIS A 193
GLU A 181
MET A 166
ILE A 179
 LBV  A 701 (-3.8A)
None
None
None
 1.35A 4cx7A-6et7A:
undetectable
4cx7B-6et7A:
undetectable		 4cx7A-6et7A:
12.57
4cx7B-6et7A:
12.57
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.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 PHE A1889
GLU A1810
MET A1807
ILE A1805
 None
 1.37A 4cx7A-6fghA:
undetectable
4cx7B-6fghA:
undetectable		 4cx7A-6fghA:
14.20
4cx7B-6fghA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 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
HIS A1812
GLU A1810
ILE A1805
 None
 0.86A 4cx7A-6fghA:
undetectable
4cx7B-6fghA:
undetectable		 4cx7A-6fghA:
14.20
4cx7B-6fghA:
14.20