SIMILAR PATTERNS OF AMINO ACIDS FOR 4CX7_D_H4BD600_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 PHE A  64
GLU A  72
ARG A 106
ILE A  50
 None
 1.15A 4cx7C-1bwyA:
0.0
4cx7D-1bwyA:
0.0		 4cx7C-1bwyA:
16.24
4cx7D-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
 1.30A 4cx7C-1f6bA:
0.0
4cx7D-1f6bA:
0.0		 4cx7C-1f6bA:
17.05
4cx7D-1f6bA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 PHE A  31
MET A  73
ARG A  59
ILE A  36
 None
None
ZN  A  81 ( 4.9A)
None
 1.06A 4cx7C-1hraA:
undetectable
4cx7D-1hraA:
undetectable		 4cx7C-1hraA:
9.79
4cx7D-1hraA:
9.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 TRP A  36
PHE A  12
GLU A  35
ILE A  72
 None
 1.49A 4cx7C-1iktA:
0.0
4cx7D-1iktA:
0.0		 4cx7C-1iktA:
14.83
4cx7D-1iktA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 TRP A 307
PHE A 284
GLU A 280
ILE A 152
 None
 1.43A 4cx7C-1kobA:
undetectable
4cx7D-1kobA:
undetectable		 4cx7C-1kobA:
20.70
4cx7D-1kobA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.31A 4cx7C-1nj1A:
0.0
4cx7D-1nj1A:
0.0		 4cx7C-1nj1A:
22.44
4cx7D-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.
1nl4 PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Rattus
norvegicus) 		PF01239
(PPTA) 		4 TRP A 277
PHE A 314
GLU A 274
ILE A 267
 None
 1.44A 4cx7C-1nl4A:
0.0
4cx7D-1nl4A:
0.4		 4cx7C-1nl4A:
18.72
4cx7D-1nl4A:
18.72
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.
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
 1.00A 4cx7C-1nsaA:
0.0
4cx7D-1nsaA:
0.0		 4cx7C-1nsaA:
23.04
4cx7D-1nsaA:
23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.39A 4cx7C-1qw5A:
58.8
4cx7D-1qw5A:
14.5		 4cx7C-1qw5A:
85.51
4cx7D-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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 GLU A  33
ARG A 288
ILE A  73
TRP A  74
 None
GOL  A3020 (-2.5A)
None
GOL  A3020 (-4.3A)
 1.46A 4cx7C-1yi7A:
0.0
4cx7D-1yi7A:
0.0		 4cx7C-1yi7A:
20.81
4cx7D-1yi7A:
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		4 GLU A1034
ARG A1280
ILE A1074
TRP A1075
 None
 1.44A 4cx7C-1yrzA:
undetectable
4cx7D-1yrzA:
undetectable		 4cx7C-1yrzA:
21.34
4cx7D-1yrzA:
21.34
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 0.94A 4cx7C-1zliA:
undetectable
4cx7D-1zliA:
undetectable		 4cx7C-1zliA:
21.57
4cx7D-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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		4 PHE A  60
GLU A  67
ARG A 358
ILE A 279
 None
 1.45A 4cx7C-2b3oA:
0.5
4cx7D-2b3oA:
undetectable		 4cx7C-2b3oA:
21.92
4cx7D-2b3oA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 TRP A  14
PHE A  17
GLU A  15
ILE B  13
 None
 1.40A 4cx7C-2b87A:
undetectable
4cx7D-2b87A:
undetectable		 4cx7C-2b87A:
8.73
4cx7D-2b87A:
8.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 138
GLU A 167
MET A 164
ILE A 176
 None
 1.41A 4cx7C-2bwgA:
undetectable
4cx7D-2bwgA:
undetectable		 4cx7C-2bwgA:
20.94
4cx7D-2bwgA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 138
GLU A 167
MET A 164
ILE A 176
 None
 1.44A 4cx7C-2bznA:
undetectable
4cx7D-2bznA:
undetectable		 4cx7C-2bznA:
22.17
4cx7D-2bznA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.30A 4cx7C-2cy7A:
undetectable
4cx7D-2cy7A:
undetectable		 4cx7C-2cy7A:
22.50
4cx7D-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 174
 None
 1.19A 4cx7C-2e3zA:
undetectable
4cx7D-2e3zA:
undetectable		 4cx7C-2e3zA:
23.58
4cx7D-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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 PHE A 257
GLU A 170
ARG A 256
ILE A 201
 None
 1.33A 4cx7C-2e3zA:
undetectable
4cx7D-2e3zA:
undetectable		 4cx7C-2e3zA:
23.58
4cx7D-2e3zA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 PHE A 249
GLU A 257
ARG A 187
ILE A 218
 None
 1.20A 4cx7C-2eynA:
undetectable
4cx7D-2eynA:
undetectable		 4cx7C-2eynA:
19.49
4cx7D-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.
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
 1.34A 4cx7C-2i9uA:
undetectable
4cx7D-2i9uA:
undetectable		 4cx7C-2i9uA:
21.31
4cx7D-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
 1.11A 4cx7C-2jc6A:
undetectable
4cx7D-2jc6A:
undetectable		 4cx7C-2jc6A:
19.73
4cx7D-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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB

(Methanothermobacter
thermautotrophicus) 		PF01641
(SelR) 		4 TRP A  31
GLU A  30
ARG A  66
ILE A  24
 None
 1.12A 4cx7C-2k8dA:
undetectable
4cx7D-2k8dA:
undetectable		 4cx7C-2k8dA:
15.74
4cx7D-2k8dA:
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 TRP A  90
PHE A  93
ARG A  37
ILE A  83
 None
 1.44A 4cx7C-2o2xA:
undetectable
4cx7D-2o2xA:
undetectable		 4cx7C-2o2xA:
19.82
4cx7D-2o2xA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 PHE A 104
GLU A 133
ARG A 102
ILE A 106
 None
 1.46A 4cx7C-2qlzA:
undetectable
4cx7D-2qlzA:
undetectable		 4cx7C-2qlzA:
17.36
4cx7D-2qlzA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 PHE A  55
GLU A  53
ARG A  25
ILE A  17
 None
BU2  A 196 (-3.2A)
None
None
 0.91A 4cx7C-2rfmA:
undetectable
4cx7D-2rfmA:
undetectable		 4cx7C-2rfmA:
18.94
4cx7D-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.
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
 1.46A 4cx7C-2x4fA:
undetectable
4cx7D-2x4fA:
undetectable		 4cx7C-2x4fA:
23.11
4cx7D-2x4fA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 4cx7C-3c2uA:
undetectable
4cx7D-3c2uA:
undetectable		 4cx7C-3c2uA:
22.59
4cx7D-3c2uA:
22.59
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.01A 4cx7C-3ckbA:
0.0
4cx7D-3ckbA:
1.1		 4cx7C-3ckbA:
21.74
4cx7D-3ckbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 229
PHE A 224
ARG A 241
ILE A 232
 None
 1.08A 4cx7C-3dfaA:
undetectable
4cx7D-3dfaA:
undetectable		 4cx7C-3dfaA:
21.17
4cx7D-3dfaA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dv9 BETA-PHOSPHOGLUCOMUT
ASE

(Bacteroides
vulgatus) 		PF13419
(HAD_2) 		4 TRP A 234
PHE A 230
GLU A 112
ILE A 117
 None
 1.45A 4cx7C-3dv9A:
undetectable
4cx7D-3dv9A:
undetectable		 4cx7C-3dv9A:
20.00
4cx7D-3dv9A:
20.00
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 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)
 0.47A 4cx7C-3e7gA:
19.6
4cx7D-3e7gA:
14.0		 4cx7C-3e7gA:
100.00
4cx7D-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
 1.17A 4cx7C-3eqqB:
undetectable
4cx7D-3eqqB:
undetectable		 4cx7C-3eqqB:
17.86
4cx7D-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.
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
 1.38A 4cx7C-3f3zA:
undetectable
4cx7D-3f3zA:
undetectable		 4cx7C-3f3zA:
20.85
4cx7D-3f3zA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 PHE A 353
GLU A 395
ARG A 440
ILE A 391
 None
 1.15A 4cx7C-3g3oA:
undetectable
4cx7D-3g3oA:
undetectable		 4cx7C-3g3oA:
20.76
4cx7D-3g3oA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A  20
GLU A 310
ARG A  52
ILE A 333
 None
 1.33A 4cx7C-3gazA:
undetectable
4cx7D-3gazA:
undetectable		 4cx7C-3gazA:
22.57
4cx7D-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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLU A 134
MET A 133
ARG A 180
ILE A 130
 None
 1.45A 4cx7C-3hrdA:
undetectable
4cx7D-3hrdA:
undetectable		 4cx7C-3hrdA:
20.21
4cx7D-3hrdA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 298
PHE A 293
ARG A 310
ILE A 301
 None
None
SRT  A 543 (-3.8A)
None
 1.06A 4cx7C-3igoA:
0.0
4cx7D-3igoA:
undetectable		 4cx7C-3igoA:
21.50
4cx7D-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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
 None
 1.50A 4cx7C-3n3kA:
undetectable
4cx7D-3n3kA:
undetectable		 4cx7C-3n3kA:
21.13
4cx7D-3n3kA:
21.13
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PHE A 494
GLU A 507
ARG A 459
ILE A 292
 None
 1.43A 4cx7C-3n6rA:
0.0
4cx7D-3n6rA:
undetectable		 4cx7C-3n6rA:
22.11
4cx7D-3n6rA:
22.11
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.
3wo0 ALANINE-ANTICAPSIN
LIGASE BACD

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		4 GLU A 319
MET A 315
ARG A 142
ILE A 312
 None
 1.50A 4cx7C-3wo0A:
undetectable
4cx7D-3wo0A:
undetectable		 4cx7C-3wo0A:
21.54
4cx7D-3wo0A:
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		4 PHE A 103
GLU A  98
ARG A  42
ILE A  46
 None
 1.44A 4cx7C-3zidA:
undetectable
4cx7D-3zidA:
undetectable		 4cx7C-3zidA:
20.74
4cx7D-3zidA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 TRP A 190
PHE A 259
GLU A 179
ILE A 269
 None
 1.13A 4cx7C-4be3A:
undetectable
4cx7D-4be3A:
undetectable		 4cx7C-4be3A:
21.10
4cx7D-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
 1.31A 4cx7C-4c7vA:
undetectable
4cx7D-4c7vA:
undetectable		 4cx7C-4c7vA:
22.69
4cx7D-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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B

(Mus musculus) 		PF02373
(JmjC) 		4 PHE A1424
GLU A1419
ARG A1427
ILE A1449
 None
 1.28A 4cx7C-4eyuA:
1.1
4cx7D-4eyuA:
undetectable		 4cx7C-4eyuA:
21.92
4cx7D-4eyuA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4cx7C-4fg8A:
undetectable
4cx7D-4fg8A:
undetectable		 4cx7C-4fg8A:
22.49
4cx7D-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.
4gtr PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA

(Rattus
norvegicus) 		PF01239
(PPTA) 		4 TRP A 277
PHE A 314
GLU A 274
ILE A 267
 None
 1.43A 4cx7C-4gtrA:
undetectable
4cx7D-4gtrA:
undetectable		 4cx7C-4gtrA:
19.12
4cx7D-4gtrA:
19.12
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 TRP A 172
PHE A 188
GLU A 173
ILE A 175
 None
 1.28A 4cx7C-4im4A:
undetectable
4cx7D-4im4A:
undetectable		 4cx7C-4im4A:
21.28
4cx7D-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.
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
 1.48A 4cx7C-4l37B:
undetectable
4cx7D-4l37B:
undetectable		 4cx7C-4l37B:
19.91
4cx7D-4l37B:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.47A 4cx7C-4qbuA:
undetectable
4cx7D-4qbuA:
undetectable		 4cx7C-4qbuA:
21.12
4cx7D-4qbuA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 TRP A 337
GLU A 338
ARG A 347
ILE A 340
 None
 1.34A 4cx7C-4z4lA:
undetectable
4cx7D-4z4lA:
undetectable		 4cx7C-4z4lA:
22.78
4cx7D-4z4lA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2471
PHE A2357
ILE A2396
TRP A2459
 None
 1.32A 4cx7C-5b4xA:
undetectable
4cx7D-5b4xA:
undetectable		 4cx7C-5b4xA:
19.75
4cx7D-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.
5eum LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA

(Haemophilus
influenzae) 		PF00005
(ABC_tran) 		4 PHE A 467
GLU A 469
ARG A 493
ILE A 438
 None
None
MLI  A 608 (-3.3A)
None
 1.48A 4cx7C-5eumA:
undetectable
4cx7D-5eumA:
undetectable		 4cx7C-5eumA:
21.17
4cx7D-5eumA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 PHE A 128
GLU A  45
ILE A 114
TRP A  84
 None
 1.38A 4cx7C-5hwtA:
undetectable
4cx7D-5hwtA:
undetectable		 4cx7C-5hwtA:
15.97
4cx7D-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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 PHE A 320
GLU A 358
ARG A 315
ILE A 335
 None
 1.34A 4cx7C-5k94A:
undetectable
4cx7D-5k94A:
undetectable		 4cx7C-5k94A:
21.21
4cx7D-5k94A:
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.
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
 1.33A 4cx7C-5m15C:
undetectable
4cx7D-5m15C:
undetectable		 4cx7C-5m15C:
14.62
4cx7D-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
 1.11A 4cx7C-5m8tA:
undetectable
4cx7D-5m8tA:
0.0		 4cx7C-5m8tA:
20.32
4cx7D-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.
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
 1.12A 4cx7C-5nqdA:
undetectable
4cx7D-5nqdA:
undetectable		 4cx7C-5nqdA:
10.00
4cx7D-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.
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
 1.42A 4cx7C-5opqA:
undetectable
4cx7D-5opqA:
undetectable		 4cx7C-5opqA:
10.82
4cx7D-5opqA:
10.82
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 TRP A 234
PHE A 250
GLU A 235
ILE A 237
 None
 1.28A 4cx7C-5oydA:
undetectable
4cx7D-5oydA:
undetectable		 4cx7C-5oydA:
13.55
4cx7D-5oydA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 PHE A  28
GLU A  26
MET A  23
ILE A 102
 None
 1.23A 4cx7C-5t3uA:
undetectable
4cx7D-5t3uA:
undetectable		 4cx7C-5t3uA:
17.52
4cx7D-5t3uA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 PHE A 285
GLU A 283
ILE A 278
TRP A 281
 None
 1.32A 4cx7C-5u6oA:
0.0
4cx7D-5u6oA:
0.0		 4cx7C-5u6oA:
18.98
4cx7D-5u6oA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 TRP A 281
PHE A 143
GLU A 282
ILE A 284
 None
 1.43A 4cx7C-5u6oA:
0.0
4cx7D-5u6oA:
0.0		 4cx7C-5u6oA:
18.98
4cx7D-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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		4 GLU A 483
ARG A 210
ILE A 481
TRP A 482
 None
 1.44A 4cx7C-5w94A:
undetectable
4cx7D-5w94A:
0.0		 4cx7C-5w94A:
22.73
4cx7D-5w94A:
22.73
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 TRP A  27
PHE A  63
GLU A  28
ILE A  30
 None
 1.16A 4cx7C-5x3hA:
undetectable
4cx7D-5x3hA:
undetectable		 4cx7C-5x3hA:
22.06
4cx7D-5x3hA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 PHE E  73
ARG E  72
ILE E  80
TRP E  65
 None
None
None
UDP  E 403 (-4.0A)
 1.46A 4cx7C-5xykE:
undetectable
4cx7D-5xykE:
undetectable		 4cx7C-5xykE:
11.53
4cx7D-5xykE:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2p -

(-) 		no annotation 4 PHE A 264
GLU A 262
ARG A  30
ILE A 236
 None
 1.05A 4cx7C-5y2pA:
undetectable
4cx7D-5y2pA:
undetectable		 4cx7C-5y2pA:
undetectable
4cx7D-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
 0.80A 4cx7C-5yhhA:
undetectable
4cx7D-5yhhA:
undetectable		 4cx7C-5yhhA:
11.96
4cx7D-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
 1.36A 4cx7C-5zibA:
undetectable
4cx7D-5zibA:
undetectable		 4cx7C-5zibA:
undetectable
4cx7D-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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE U 748
GLU U 731
ARG U 760
ILE U 733
 None
 1.32A 4cx7C-6bk8U:
undetectable
4cx7D-6bk8U:
undetectable		 4cx7C-6bk8U:
11.54
4cx7D-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.
6dbr -

(-) 		no annotation 4 PHE A 611
GLU A 590
MET A 594
ILE A 649
 None
 1.42A 4cx7C-6dbrA:
undetectable
4cx7D-6dbrA:
undetectable		 4cx7C-6dbrA:
undetectable
4cx7D-6dbrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 PHE A1889
GLU A1810
MET A1807
ILE A1805
 None
 1.36A 4cx7C-6fghA:
undetectable
4cx7D-6fghA:
undetectable		 4cx7C-6fghA:
14.20
4cx7D-6fghA:
14.20