SIMILAR PATTERNS OF AMINO ACIDS FOR 2COI_A_GBNA420_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.
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
 0.34A 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 TYR A 453
GLY A 450
THR A 451
ALA A 429
VAL A 296
 None
 1.35A 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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		5 TYR A  19
GLY A 120
THR A 121
ALA A 122
VAL A  25
 None
 1.42A 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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ARG A 612
GLY A 537
ALA A 615
TYR A 340
VAL A 661
 None
 1.49A 2coiA-1c7tA:
undetectable
2coiB-1c7tA:
undetectable		 2coiA-1c7tA:
17.54
2coiB-1c7tA:
17.54
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 TYR A 431
ARG A 641
GLY A 465
THR A 463
ALA A 464
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.49A 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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 TYR A 431
ARG A 641
THR A 463
ALA A 464
VAL A 546
 FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
None
 1.35A 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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR A 263
GLY A  87
THR A  85
ALA A  86
VAL A  62
 None
None
HIS  A 450 ( 3.2A)
None
None
 1.41A 2coiA-1httA:
undetectable
2coiB-1httA:
undetectable		 2coiA-1httA:
22.73
2coiB-1httA:
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.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 TYR A  32
MET A  68
THR A 143
ALA A  39
VAL A  24
 None
None
SO4  A 207 (-4.5A)
None
None
 1.47A 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)
 0.34A 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
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) 		5 TYR A 173
MET A 241
GLY A 312
THR A 313
ALA A 314
 None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 1.18A 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) 		5 TYR A 173
THR A 240
MET A 241
GLY A 312
THR A 313
 None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
 1.18A 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
 1.50A 2coiA-1ouoA:
undetectable
2coiB-1ouoA:
undetectable		 2coiA-1ouoA:
16.76
2coiB-1ouoA:
16.76
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)
 0.46A 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) 		6 TYR A 159
TYR A 191
MET A 259
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.3A)
CBC  A1401 (-4.1A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 1.09A 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
 0.21A 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  64
GLY A 117
THR A  36
ALA A  35
TYR A 146
 None
 1.25A 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 THR A 541
GLY A 544
THR A 545
ALA A 546
VAL A 573
 None
 1.20A 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  64
GLY A 117
THR A  36
ALA A  35
TYR A 146
 UNL  A 237 (-4.9A)
UNL  A 237 ( 3.7A)
None
UNL  A 237 (-4.7A)
None
 1.29A 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.
2mzw ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 TYR A 668
GLY A 653
ALA A 655
TYR A 482
VAL A 480
 None
 1.49A 2coiA-2mzwA:
undetectable
2coiB-2mzwA:
undetectable		 2coiA-2mzwA:
21.55
2coiB-2mzwA:
21.55
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.
2qvk SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 THR A 541
GLY A 544
THR A 586
ALA A 546
VAL A 573
 None
 1.19A 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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 ARG A 160
TYR A 445
MET A  24
GLY A  64
TYR A 460
 ZN  A 647 ( 4.3A)
None
GOL  A 656 (-4.7A)
None
GOL  A 656 (-4.5A)
 1.47A 2coiA-2zwsA:
undetectable
2coiB-2zwsA:
undetectable		 2coiA-2zwsA:
21.26
2coiB-2zwsA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 105
THR A 106
ALA A 101
TYR A 242
VAL A 120
 None
 1.39A 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 GLY A 129
THR A 130
ALA A 131
TYR A  37
VAL A 110
 None
None
None
CDP  A 209 (-3.9A)
None
 1.02A 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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 TYR A  80
GLY A  48
THR A  49
ALA A  76
VAL A  63
 None
 1.34A 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.
3us9 SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 THR A 541
GLY A 544
THR A 586
ALA A 546
VAL A 573
 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)
 0.69A 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
 1.32A 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 ARG A 644
THR A 881
MET A 882
GLY A 809
VAL A 611
 None
 1.46A 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.
4ayz HEME-BINDING PROTEIN
2

(Homo sapiens) 		PF04832
(SOUL) 		5 TYR A 179
THR A  90
THR A  86
ALA A  87
TYR A  43
 None
 1.20A 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
 0.41A 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 GLY B  98
THR B  99
ALA B 100
TYR B  40
VAL B  50
 None
 0.92A 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 THR A 311
GLY A 295
THR A 294
ALA A 298
VAL A 346
 None
FAD  A 602 (-3.4A)
None
None
None
 1.28A 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
 1.28A 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.
4is4 GLUTAMINE SYNTHETASE

(Medicago
truncatula) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ARG A 218
THR A 250
GLY A 203
ALA A 210
VAL A 343
 None
 1.22A 2coiA-4is4A:
undetectable
2coiB-4is4A:
undetectable		 2coiA-4is4A:
22.57
2coiB-4is4A:
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.
4j0e PROBABLE
3-HYDROXYACYL-COA
DEHYDROGENASE
F54C8.1

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 THR A  30
GLY A 188
THR A 185
ALA A 186
VAL A  14
 None
 1.38A 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 THR A 282
GLY A 272
THR A 269
ALA A 270
VAL A 253
 None
None
CL  A 414 (-4.7A)
CL  A 414 (-3.8A)
None
 1.26A 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 GLY A 105
THR A 106
ALA A 101
TYR A 233
VAL A 120
 None
 1.38A 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.
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
 1.35A 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
 1.13A 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  88
ARG A 188
THR A 216
ALA A  98
TYR A 192
 None
 1.26A 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.
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)
 0.54A 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 THR A 244
GLY A 248
THR A 250
ALA A 289
VAL A 241
 ANP  A 401 (-4.3A)
ANP  A 401 (-3.4A)
None
ANP  A 401 (-3.5A)
ANP  A 401 (-4.9A)
 1.37A 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 324
ARG A 328
TYR A 359
THR A 354
TYR A 146
 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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		5 TYR A1256
THR A1425
GLY A1194
THR A1191
ALA A1192
 None
 1.36A 2coiA-4ziuA:
undetectable
2coiB-4ziuA:
undetectable		 2coiA-4ziuA:
21.31
2coiB-4ziuA:
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 TYR A 203
ARG A 268
THR A  73
ALA A 134
TYR A  79
 None
GOL  A 402 ( 4.9A)
GOL  A 402 ( 4.5A)
GOL  A 402 (-3.4A)
None
 1.48A 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
 0.52A 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 175
GLY A 125
ALA A 102
TYR A 107
VAL A  31
 None
 1.16A 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 175
GLY A 125
THR A  99
TYR A 107
VAL A  31
 None
 1.25A 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.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 231
GLY A 255
THR A 252
ALA A 253
VAL A 108
 None
 1.45A 2coiA-5dn6A:
undetectable
2coiB-5dn6A:
undetectable		 2coiA-5dn6A:
22.81
2coiB-5dn6A:
22.81
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.
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)
 0.48A 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 179
THR A  90
THR A  86
ALA A  87
TYR A  43
 None
 1.22A 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
 1.48A 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 TYR A 446
GLY A  50
THR A  48
ALA A  51
VAL A  55
 None
 1.47A 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.
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
 0.32A 2coiA-5mqzA:
28.7
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 ARG A 169
GLY A  81
THR A  80
ALA A  83
TYR A   5
 HEM  A 201 (-2.6A)
None
None
GOL  A 204 ( 4.3A)
HEM  A 201 (-4.6A)
 1.19A 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
 0.32A 2coiA-5u3fA:
39.9
2coiB-5u3fA:
40.0		 2coiA-5u3fA:
36.57
2coiB-5u3fA:
36.57