SIMILAR PATTERNS OF AMINO ACIDS FOR 2COI_B_GBNB420

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.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		5 TYR A  95
ARG A  97
GLY A 256
THR A 257
ALA A 258
 None
None
PLP  A 413 ( 3.9A)
PLP  A 413 (-3.4A)
None
 0.31A 2coiA-1a3gA:
29.9
2coiB-1a3gA:
30.1		 2coiA-1a3gA:
29.31
2coiB-1a3gA:
29.31
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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		5 VAL A 296
TYR A 453
GLY A 450
THR A 451
ALA A 429
 None
 1.36A 2coiA-1a4sA:
undetectable
2coiB-1a4sA:
undetectable		 2coiA-1a4sA:
21.36
2coiB-1a4sA:
21.36
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 391
VAL A 377
THR A 365
GLY A 381
ALA A 384
 None
 1.44A 2coiA-1bhyA:
undetectable
2coiB-1bhyA:
undetectable		 2coiA-1bhyA:
21.65
2coiB-1bhyA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		5 VAL A  25
TYR A  19
GLY A 120
THR A 121
ALA A 122
 None
 1.40A 2coiA-1bwyA:
undetectable
2coiB-1bwyA:
undetectable		 2coiA-1bwyA:
18.90
2coiB-1bwyA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.39A 2coiA-1h76A:
undetectable
2coiB-1h76A:
undetectable		 2coiA-1h76A:
20.61
2coiB-1h76A:
20.61
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.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 VAL A  24
TYR A  32
MET A  68
THR A 143
ALA A  39
 None
None
None
SO4  A 207 (-4.5A)
None
 1.48A 2coiA-1k7jA:
undetectable
2coiB-1k7jA:
undetectable		 2coiA-1k7jA:
18.25
2coiB-1k7jA:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		6 TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
 ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 0.42A 2coiA-1kt8A:
53.0
2coiB-1kt8A:
52.8		 2coiA-1kt8A:
55.96
2coiB-1kt8A:
55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		6 TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
THR A 313
 ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
 0.77A 2coiA-1kt8A:
53.0
2coiB-1kt8A:
52.8		 2coiA-1kt8A:
55.96
2coiB-1kt8A:
55.96
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.
1ouo NUCLEASE

(Vibrio
vulnificus) 		PF04231
(Endonuclease_1) 		5 TYR A  43
ARG A 130
THR A 173
GLY A 168
ALA A 166
 None
 1.49A 2coiA-1ouoA:
undetectable
2coiB-1ouoA:
undetectable		 2coiA-1ouoA:
16.76
2coiB-1ouoA:
16.76
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 TYR A 188
VAL A   7
GLY A 257
THR A 258
ALA A 336
 None
 1.30A 2coiA-1y0yA:
undetectable
2coiB-1y0yA:
undetectable		 2coiA-1y0yA:
20.63
2coiB-1y0yA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		7 TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 0.43A 2coiA-2abjA:
57.1
2coiB-2abjA:
57.0		 2coiA-2abjA:
98.63
2coiB-2abjA:
98.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 TYR A 159
TYR A 191
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.3A)
CBC  A1401 (-4.1A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 0.96A 2coiA-2abjA:
57.1
2coiB-2abjA:
57.0		 2coiA-2abjA:
98.63
2coiB-2abjA:
98.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		5 TYR A  95
ARG A  97
GLY A 255
THR A 256
ALA A 257
 None
None
PMP  A3413 (-3.5A)
PMP  A3413 (-3.6A)
None
 0.26A 2coiA-2ej0A:
30.7
2coiB-2ej0A:
31.1		 2coiA-2ej0A:
28.14
2coiB-2ej0A:
28.14
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.
2evr COG0791: CELL
WALL-ASSOCIATED
HYDROLASES
(INVASION-ASSOCIATED
PROTEINS)

(Nostoc
punctiforme) 		PF00877
(NLPC_P60) 		5 TYR A 146
TYR A  64
GLY A 117
THR A  36
ALA A  35
 None
 1.22A 2coiA-2evrA:
undetectable
2coiB-2evrA:
undetectable		 2coiA-2evrA:
20.85
2coiB-2evrA:
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.
2fwu SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 VAL A 573
THR A 541
GLY A 544
THR A 545
ALA A 546
 None
 1.14A 2coiA-2fwuA:
undetectable
2coiB-2fwuA:
undetectable		 2coiA-2fwuA:
17.92
2coiB-2fwuA:
17.92
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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 TYR A 146
TYR A  64
GLY A 117
THR A  36
ALA A  35
 None
UNL  A 237 (-4.9A)
UNL  A 237 ( 3.7A)
None
UNL  A 237 (-4.7A)
 1.26A 2coiA-2hbwA:
undetectable
2coiB-2hbwA:
undetectable		 2coiA-2hbwA:
20.98
2coiB-2hbwA:
20.98
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.
2p1z PHOSPHORIBOSYLTRANSF
ERASE

(Corynebacterium
diphtheriae) 		PF00156
(Pribosyltran) 		5 VAL A 148
TYR A 165
GLY A 153
THR A 123
ALA A 154
 None
 1.34A 2coiA-2p1zA:
undetectable
2coiB-2p1zA:
undetectable		 2coiA-2p1zA:
21.19
2coiB-2p1zA:
21.19
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.
2qvk SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 VAL A 573
THR A 541
GLY A 544
THR A 586
ALA A 546
 None
 1.18A 2coiA-2qvkA:
undetectable
2coiB-2qvkA:
undetectable		 2coiA-2qvkA:
19.43
2coiB-2qvkA:
19.43
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.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 TYR A 242
VAL A 120
GLY A 105
THR A 106
ALA A 101
 None
 1.38A 2coiA-3a2lA:
undetectable
2coiB-3a2lA:
undetectable		 2coiA-3a2lA:
22.25
2coiB-3a2lA:
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.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		5 TYR A  37
VAL A 110
GLY A 129
THR A 130
ALA A 131
 CDP  A 209 (-3.9A)
None
None
None
None
 0.98A 2coiA-3akcA:
undetectable
2coiB-3akcA:
undetectable		 2coiA-3akcA:
22.05
2coiB-3akcA:
22.05
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 VAL A 250
THR A 253
GLY A 257
THR A 259
ALA A 285
 None
 1.49A 2coiA-3b3lA:
undetectable
2coiB-3b3lA:
undetectable		 2coiA-3b3lA:
20.74
2coiB-3b3lA:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 VAL A  63
TYR A  80
GLY A  48
THR A  49
ALA A  76
 None
 1.33A 2coiA-3ccfA:
undetectable
2coiB-3ccfA:
undetectable		 2coiA-3ccfA:
21.18
2coiB-3ccfA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		7 TYR A 144
ARG A 146
TYR A 176
MET A 244
GLY A 313
THR A 314
ALA A 315
 None
OBZ  A 371 (-4.2A)
OBZ  A 371 (-3.4A)
None
PLP  A 369 (-3.6A)
PLP  A 369 (-3.5A)
OBZ  A 371 ( 4.1A)
 0.49A 2coiA-3dtgA:
45.0
2coiB-3dtgA:
45.1		 2coiA-3dtgA:
37.53
2coiB-3dtgA:
37.53
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		5 TYR A  59
TYR A 182
ARG A 246
THR A  53
ALA A 114
 None
 1.37A 2coiA-3qxfA:
undetectable
2coiB-3qxfA:
undetectable		 2coiA-3qxfA:
19.47
2coiB-3qxfA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3us9 SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 VAL A 573
THR A 541
GLY A 544
THR A 586
ALA A 546
 None
 1.17A 2coiA-3us9A:
undetectable
2coiB-3us9A:
undetectable		 2coiA-3us9A:
21.72
2coiB-3us9A:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		6 TYR A 143
ARG A 145
TYR A 175
GLY A 303
THR A 304
ALA A 305
 COI  A1517 (-4.8A)
None
COI  A1517 ( 4.8A)
PLP  A 371 (-3.6A)
PLP  A 371 ( 3.7A)
COI  A1517 (-3.1A)
 0.68A 2coiA-3uzbA:
39.5
2coiB-3uzbA:
39.7		 2coiA-3uzbA:
32.66
2coiB-3uzbA:
32.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		5 TYR A 207
TYR A 175
GLY A 303
THR A 304
ALA A 305
 COI  A1517 (-4.7A)
COI  A1517 ( 4.8A)
PLP  A 371 (-3.6A)
PLP  A 371 ( 3.7A)
COI  A1517 (-3.1A)
 1.23A 2coiA-3uzbA:
39.5
2coiB-3uzbA:
39.7		 2coiA-3uzbA:
32.66
2coiB-3uzbA:
32.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 TYR A  82
THR A 102
GLY A  79
THR A  80
ALA A 122
 None
 1.31A 2coiA-3visA:
undetectable
2coiB-3visA:
undetectable		 2coiA-3visA:
19.59
2coiB-3visA:
19.59
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.
3wxf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00443
(UCH) 		5 VAL A 611
ARG A 644
THR A 881
MET A 882
GLY A 809
 None
 1.47A 2coiA-3wxfA:
undetectable
2coiB-3wxfA:
undetectable		 2coiA-3wxfA:
22.22
2coiB-3wxfA:
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		5 TYR A 784
VAL A 798
GLY A 719
THR A 716
ALA A 715
 None
 1.11A 2coiA-3zqjA:
undetectable
2coiB-3zqjA:
undetectable		 2coiA-3zqjA:
18.04
2coiB-3zqjA:
18.04
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.
4ayz HEME-BINDING PROTEIN
2

(Homo sapiens) 		PF04832
(SOUL) 		5 TYR A  43
TYR A 179
THR A  90
THR A  86
ALA A  87
 None
 1.24A 2coiA-4ayzA:
undetectable
2coiB-4ayzA:
undetectable		 2coiA-4ayzA:
20.51
2coiB-4ayzA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		5 TYR A 124
ARG A 126
GLY A 284
THR A 285
ALA A 286
 None
 0.36A 2coiA-4dqnA:
40.1
2coiB-4dqnA:
40.3		 2coiA-4dqnA:
33.16
2coiB-4dqnA:
33.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4drf METHYLTRANSFERASE
TYPE 12

(Ruminiclostridium
thermocellum) 		PF12623
(Hen1_L) 		5 TYR B  40
VAL B  50
GLY B  98
THR B  99
ALA B 100
 None
 0.91A 2coiA-4drfB:
undetectable
2coiB-4drfB:
undetectable		 2coiA-4drfB:
19.74
2coiB-4drfB:
19.74
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		5 VAL A 346
THR A 311
GLY A 295
THR A 294
ALA A 298
 None
None
FAD  A 602 (-3.4A)
None
None
 1.26A 2coiA-4eipA:
undetectable
2coiB-4eipA:
undetectable		 2coiA-4eipA:
22.62
2coiB-4eipA:
22.62
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.
4g1i PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		5 ARG A 262
TYR A 354
GLY A 301
THR A 298
ALA A 299
 None
None
None
PO4  A 404 (-3.0A)
None
 1.30A 2coiA-4g1iA:
undetectable
2coiB-4g1iA:
undetectable		 2coiA-4g1iA:
22.04
2coiB-4g1iA:
22.04
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 260
TYR A 362
TYR A  96
GLY A 146
ALA A 141
 GAL  A1130 (-4.5A)
None
GAL  A1130 (-4.7A)
None
GAL  A1130 (-4.5A)
 1.34A 2coiA-4iugA:
undetectable
2coiB-4iugA:
undetectable		 2coiA-4iugA:
17.51
2coiB-4iugA:
17.51
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.
4j0e PROBABLE
3-HYDROXYACYL-COA
DEHYDROGENASE
F54C8.1

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 VAL A  14
THR A  30
GLY A 188
THR A 185
ALA A 186
 None
 1.31A 2coiA-4j0eA:
undetectable
2coiB-4j0eA:
undetectable		 2coiA-4j0eA:
24.31
2coiB-4j0eA:
24.31
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.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 VAL A 253
THR A 282
GLY A 272
THR A 269
ALA A 270
 None
None
None
CL  A 414 (-4.7A)
CL  A 414 (-3.8A)
 1.23A 2coiA-4jxcA:
undetectable
2coiB-4jxcA:
undetectable		 2coiA-4jxcA:
23.63
2coiB-4jxcA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		5 TYR A 233
VAL A 120
GLY A 105
THR A 106
ALA A 101
 None
 1.36A 2coiA-4k2aA:
undetectable
2coiB-4k2aA:
undetectable		 2coiA-4k2aA:
19.95
2coiB-4k2aA:
19.95
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.
4mh0 RAS-RELATED PROTEIN
RAP-1B

(Homo sapiens) 		PF00071
(Ras) 		5 TYR R  32
VAL R  21
GLY R  60
THR R  61
ALA R  59
 None
None
None
None
SO4  R 201 (-3.3A)
 1.31A 2coiA-4mh0R:
undetectable
2coiB-4mh0R:
undetectable		 2coiA-4mh0R:
16.49
2coiB-4mh0R:
16.49
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.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		5 TYR A  81
ARG A  80
GLY A  31
THR A  30
ALA A  33
 None
 1.33A 2coiA-4ntcA:
undetectable
2coiB-4ntcA:
undetectable		 2coiA-4ntcA:
21.77
2coiB-4ntcA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 TYR A 298
TYR A 179
GLY A  25
THR A  28
ALA A  29
 None
 1.16A 2coiA-4qiqA:
undetectable
2coiB-4qiqA:
undetectable		 2coiA-4qiqA:
20.24
2coiB-4qiqA:
20.24
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 TYR A 192
TYR A  88
ARG A 188
THR A 216
ALA A  98
 None
 1.22A 2coiA-4repA:
undetectable
2coiB-4repA:
undetectable		 2coiA-4repA:
23.48
2coiB-4repA:
23.48
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.
4ts6 RAB3 INTERACTING
MOLECULE VARIANT 2

(Drosophila
melanogaster) 		PF00168
(C2) 		5 VAL A 897
THR A 900
GLY A 864
THR A 863
ALA A 862
 None
 1.28A 2coiA-4ts6A:
undetectable
2coiB-4ts6A:
undetectable		 2coiA-4ts6A:
17.02
2coiB-4ts6A:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 5 VAL B 105
TYR B 130
GLY B  66
THR B  67
ALA B  68
 None
 1.47A 2coiA-4w5uB:
undetectable
2coiB-4w5uB:
undetectable		 2coiA-4w5uB:
20.96
2coiB-4w5uB:
20.96
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		6 TYR A  98
ARG A 100
TYR A 131
GLY A 257
THR A 258
ALA A 259
 ALA  A 401 (-4.3A)
ALA  A 401 ( 4.6A)
EDO  A 402 (-3.7A)
LLP  A 161 ( 3.4A)
LLP  A 161 (-3.6A)
ALA  A 401 (-3.4A)
 0.52A 2coiA-4whxA:
31.2
2coiB-4whxA:
31.5		 2coiA-4whxA:
26.49
2coiB-4whxA:
26.49
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		5 TYR A 166
TYR A 131
GLY A 257
THR A 258
ALA A 259
 LLP  A 161 ( 4.2A)
EDO  A 402 (-3.7A)
LLP  A 161 ( 3.4A)
LLP  A 161 (-3.6A)
ALA  A 401 (-3.4A)
 1.13A 2coiA-4whxA:
31.2
2coiB-4whxA:
31.5		 2coiA-4whxA:
26.49
2coiB-4whxA:
26.49
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 VAL A 241
THR A 244
GLY A 248
THR A 250
ALA A 289
 ANP  A 401 (-4.9A)
ANP  A 401 (-4.3A)
ANP  A 401 (-3.4A)
None
ANP  A 401 (-3.5A)
 1.36A 2coiA-4wjmA:
undetectable
2coiB-4wjmA:
undetectable		 2coiA-4wjmA:
20.20
2coiB-4wjmA:
20.20
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 146
TYR A 324
ARG A 328
TYR A 359
THR A 354
 None
 1.41A 2coiA-4xeeA:
undetectable
2coiB-4xeeA:
undetectable		 2coiA-4xeeA:
22.10
2coiB-4xeeA:
22.10
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.
4z4m GREEN FLUORESCENT
PROTEIN,TAX1-BINDING
PROTEIN 1

(Aequorea
victoria;
Homo sapiens) 		PF01353
(GFP) 		5 VAL A 150
TYR A  74
THR A 203
GLY A  40
ALA A  72
 CR2  A  66 ( 4.9A)
None
CR2  A  66 ( 3.6A)
None
None
 1.49A 2coiA-4z4mA:
undetectable
2coiB-4z4mA:
undetectable		 2coiA-4z4mA:
21.48
2coiB-4z4mA:
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 TYR A  79
TYR A 203
ARG A 268
THR A  73
ALA A 134
 None
None
GOL  A 402 ( 4.9A)
GOL  A 402 ( 4.5A)
GOL  A 402 (-3.4A)
 1.46A 2coiA-5cd2A:
undetectable
2coiB-5cd2A:
undetectable		 2coiA-5cd2A:
22.09
2coiB-5cd2A:
22.09
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		6 TYR A  91
ARG A  93
TYR A 124
GLY A 247
THR A 248
ALA A 249
 None
None
None
PLP  A 301 ( 3.7A)
PLP  A 301 (-3.5A)
None
 0.49A 2coiA-5ce8A:
31.5
2coiB-5ce8A:
31.8		 2coiA-5ce8A:
25.00
2coiB-5ce8A:
25.00
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 TYR A 107
VAL A  31
TYR A 175
GLY A 125
ALA A 102
 None
 1.24A 2coiA-5czwA:
undetectable
2coiB-5czwA:
undetectable		 2coiA-5czwA:
19.03
2coiB-5czwA:
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 TYR A 107
VAL A  31
TYR A 175
GLY A 125
THR A  99
 None
 1.33A 2coiA-5czwA:
undetectable
2coiB-5czwA:
undetectable		 2coiA-5czwA:
19.03
2coiB-5czwA:
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 TYR A  89
ARG A  91
GLY A 247
THR A 248
ALA A 249
 AKG  A 302 (-4.3A)
AKG  A 302 ( 4.1A)
PLP  A 301 (-3.4A)
PLP  A 301 ( 3.7A)
AKG  A 302 (-3.6A)
 0.43A 2coiA-5e25A:
29.3
2coiB-5e25A:
29.6		 2coiA-5e25A:
24.56
2coiB-5e25A:
24.56
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 TYR C  37
THR A 162
GLY C  33
THR C  34
ALA C  35
 None
 1.02A 2coiA-5g5gC:
undetectable
2coiB-5g5gC:
undetectable		 2coiA-5g5gC:
19.92
2coiB-5g5gC:
19.92
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.
5gqq HEME-BINDING PROTEIN
2

(Homo sapiens) 		PF04832
(SOUL) 		5 TYR A  43
TYR A 179
THR A  90
THR A  86
ALA A  87
 None
 1.25A 2coiA-5gqqA:
undetectable
2coiB-5gqqA:
undetectable		 2coiA-5gqqA:
19.74
2coiB-5gqqA:
19.74
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 TYR A  63
ARG A 313
TYR A 160
THR A 184
ALA A 183
 None
 1.50A 2coiA-5gw7A:
undetectable
2coiB-5gw7A:
undetectable		 2coiA-5gw7A:
21.13
2coiB-5gw7A:
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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 VAL A  55
TYR A 446
GLY A  50
THR A  48
ALA A  51
 None
 1.49A 2coiA-5jboA:
undetectable
2coiB-5jboA:
undetectable		 2coiA-5jboA:
22.37
2coiB-5jboA:
22.37
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 VAL A 532
ARG A 488
THR A 571
GLY A 528
THR A 514
 None
 1.10A 2coiA-5ljoA:
undetectable
2coiB-5ljoA:
undetectable		 2coiA-5ljoA:
19.74
2coiB-5ljoA:
19.74
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.
5m6j NITROPHORIN-7

(Rhodnius
prolixus) 		no annotation 5 TYR A  84
VAL A  54
GLY A  23
THR A  24
ALA A  46
 None
 1.30A 2coiA-5m6jA:
undetectable
2coiB-5m6jA:
undetectable		 2coiA-5m6jA:
13.33
2coiB-5m6jA:
13.33
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 5 TYR A  87
ARG A  89
GLY A 245
THR A 246
ALA A 247
 None
None
LLP  A 150 ( 3.4A)
LLP  A 150 ( 3.7A)
None
 0.26A 2coiA-5mqzA:
28.8
2coiB-5mqzA:
29.0		 2coiA-5mqzA:
10.78
2coiB-5mqzA:
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.
5oc0 CYTOCHROME B561

(Escherichia
coli) 		no annotation 5 TYR A   5
ARG A 169
GLY A  81
THR A  80
ALA A  83
 HEM  A 201 (-4.6A)
HEM  A 201 (-2.6A)
None
None
GOL  A 204 ( 4.3A)
 1.18A 2coiA-5oc0A:
undetectable
2coiB-5oc0A:
undetectable		 2coiA-5oc0A:
12.97
2coiB-5oc0A:
12.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		6 TYR A 144
ARG A 146
MET A 244
GLY A 313
THR A 314
ALA A 315
 7TS  A 400 (-4.6A)
None
None
7TS  A 400 (-3.6A)
7TS  A 400 (-3.6A)
None
 0.37A 2coiA-5u3fA:
39.9
2coiB-5u3fA:
40.0		 2coiA-5u3fA:
36.57
2coiB-5u3fA:
36.57