SIMILAR PATTERNS OF AMINO ACIDS FOR 2COJ_A_GBNA420

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) 		6 PHE A  36
TYR A  95
ARG A  97
GLY A 256
THR A 257
ALA A 258
 None
None
None
PLP  A 413 ( 3.9A)
PLP  A 413 (-3.4A)
None
 0.41A 2cojA-1a3gA:
29.6
2cojB-1a3gA:
29.7		 2cojA-1a3gA:
29.31
2cojB-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
 1.38A 2cojA-1a4sA:
undetectable
2cojB-1a4sA:
undetectable		 2cojA-1a4sA:
21.36
2cojB-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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 TYR A 313
ARG A 363
TYR A 462
GLY A 459
ALA A 460
 None
TSB  A2002 (-2.7A)
None
None
None
 1.24A 2cojA-1evlA:
undetectable
2cojB-1evlA:
undetectable		 2cojA-1evlA:
23.97
2cojB-1evlA:
23.97
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.
1h0b CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 TYR A  19
GLY A  41
THR A  40
ALA A  15
VAL A 222
 None
 1.40A 2cojA-1h0bA:
undetectable
2cojB-1h0bA:
undetectable		 2cojA-1h0bA:
20.25
2cojB-1h0bA:
20.25
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.
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
 1.39A 2cojA-1h76A:
undetectable
2cojB-1h76A:
undetectable		 2cojA-1h76A:
20.61
2cojB-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
 1.48A 2cojA-1httA:
undetectable
2cojB-1httA:
undetectable		 2cojA-1httA:
22.73
2cojB-1httA:
22.73
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) 		7 PHE A  75
TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
 None
ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 0.42A 2cojA-1kt8A:
52.9
2cojB-1kt8A:
52.4		 2cojA-1kt8A:
55.96
2cojB-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) 		7 PHE A  75
TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
THR A 313
 None
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
 0.74A 2cojA-1kt8A:
52.9
2cojB-1kt8A:
52.4		 2cojA-1kt8A:
55.96
2cojB-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 2cojA-1ouoA:
undetectable
2cojB-1ouoA:
undetectable		 2cojA-1ouoA:
16.76
2cojB-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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		5 PHE A 157
THR A 163
THR A 443
ALA A 444
VAL A 133
 None
 1.13A 2cojA-1pemA:
undetectable
2cojB-1pemA:
undetectable		 2cojA-1pemA:
20.22
2cojB-1pemA:
20.22
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		5 PHE A  71
GLY A  78
THR A  79
ALA A  80
VAL A 264
 None
 1.19A 2cojA-1t6kA:
undetectable
2cojB-1t6kA:
undetectable		 2cojA-1t6kA:
21.72
2cojB-1t6kA:
21.72
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) 		8 PHE A  93
TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.6A)
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 2cojA-2abjA:
56.8
2cojB-2abjA:
56.8		 2cojA-2abjA:
98.63
2cojB-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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 TYR A  19
GLY A  41
THR A  40
ALA A  15
VAL A 222
 None
 1.41A 2cojA-2bwaA:
undetectable
2cojB-2bwaA:
undetectable		 2cojA-2bwaA:
20.56
2cojB-2bwaA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		6 PHE A  36
TYR A  95
ARG A  97
GLY A 255
THR A 256
ALA A 257
 None
None
None
PMP  A3413 (-3.5A)
PMP  A3413 (-3.6A)
None
 0.34A 2cojA-2ej0A:
30.5
2cojB-2ej0A:
30.8		 2cojA-2ej0A:
28.14
2cojB-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
 1.20A 2cojA-2evrA:
undetectable
2cojB-2evrA:
undetectable		 2cojA-2evrA:
20.85
2cojB-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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 ARG A 335
THR A 171
THR A 237
ALA A 236
VAL A 206
 None
 1.18A 2cojA-2fvmA:
undetectable
2cojB-2fvmA:
undetectable		 2cojA-2fvmA:
22.51
2cojB-2fvmA:
22.51
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.
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 2cojA-2fwuA:
undetectable
2cojB-2fwuA:
undetectable		 2cojA-2fwuA:
17.92
2cojB-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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		5 THR A 304
MET A 305
GLY A 597
THR A 596
VAL A 431
 None
 1.03A 2cojA-2gp4A:
undetectable
2cojB-2gp4A:
undetectable		 2cojA-2gp4A:
20.59
2cojB-2gp4A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 2cojA-2hbwA:
undetectable
2cojB-2hbwA:
undetectable		 2cojA-2hbwA:
20.98
2cojB-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.
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
 1.17A 2cojA-2qvkA:
undetectable
2cojB-2qvkA:
undetectable		 2cojA-2qvkA:
19.43
2cojB-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.
2rpz PROBABLE
C->U-EDITING ENZYME
APOBEC-2

(Mus musculus) 		PF08210
(APOBEC_N) 		5 PHE A 191
THR A 120
THR A  86
ALA A  85
TYR A 186
 None
 1.24A 2cojA-2rpzA:
undetectable
2cojB-2rpzA:
undetectable		 2cojA-2rpzA:
21.15
2cojB-2rpzA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		5 PHE A 130
ARG A 133
GLY B  12
TYR B  67
VAL B   4
 None
 1.48A 2cojA-2zpbA:
undetectable
2cojB-2zpbA:
undetectable		 2cojA-2zpbA:
16.96
2cojB-2zpbA:
16.96
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.
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
 1.41A 2cojA-3a2lA:
undetectable
2cojB-3a2lA:
undetectable		 2cojA-3a2lA:
22.25
2cojB-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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 THR A 247
MET A 246
THR A 232
ALA A 229
VAL A 180
 None
 1.46A 2cojA-3ajaA:
undetectable
2cojB-3ajaA:
undetectable		 2cojA-3ajaA:
22.98
2cojB-3ajaA:
22.98
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.
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
 1.00A 2cojA-3akcA:
undetectable
2cojB-3akcA:
undetectable		 2cojA-3akcA:
22.05
2cojB-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
 1.30A 2cojA-3ccfA:
undetectable
2cojB-3ccfA:
undetectable		 2cojA-3ccfA:
21.18
2cojB-3ccfA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdd PROPHAGE MUSO2, 43
KDA TAIL PROTEIN

(Shewanella
oneidensis) 		PF05954
(Phage_GPD) 		5 TYR A 283
MET A 280
GLY A 201
ALA A 199
VAL A 305
 None
 1.45A 2cojA-3cddA:
undetectable
2cojB-3cddA:
undetectable		 2cojA-3cddA:
19.76
2cojB-3cddA:
19.76
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) 		8 PHE A  77
TYR A 144
ARG A 146
TYR A 176
MET A 244
GLY A 313
THR A 314
ALA A 315
 OBZ  A 371 (-4.6A)
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)
 0.30A 2cojA-3dtgA:
45.3
2cojB-3dtgA:
45.4		 2cojA-3dtgA:
37.53
2cojB-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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 TYR A 409
GLY A 155
THR A 156
ALA A 157
TYR A 344
 None
 1.26A 2cojA-3nm1A:
undetectable
2cojB-3nm1A:
undetectable		 2cojA-3nm1A:
22.26
2cojB-3nm1A:
22.26
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 PHE B 687
TYR B 411
THR B 355
ALA B 354
TYR B 691
 None
 1.38A 2cojA-3p8cB:
undetectable
2cojB-3p8cB:
undetectable		 2cojA-3p8cB:
16.52
2cojB-3p8cB:
16.52
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 299
THR A 259
GLY A 147
THR A 148
TYR A 265
 None
 1.06A 2cojA-3pqdA:
undetectable
2cojB-3pqdA:
undetectable		 2cojA-3pqdA:
24.18
2cojB-3pqdA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qb8 A654L PROTEIN

(Paramecium
bursaria
Chlorella virus
1) 		PF00583
(Acetyltransf_1) 		5 PHE A 162
THR A 132
THR A 126
ALA A 125
VAL A 112
 None
None
COA  A 198 (-3.5A)
COA  A 198 (-3.2A)
None
 0.97A 2cojA-3qb8A:
undetectable
2cojB-3qb8A:
undetectable		 2cojA-3qb8A:
19.12
2cojB-3qb8A:
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.
3rv1 K. POLYSPORUS DCR1

(Vanderwaltozyma
polyspora) 		PF00636
(Ribonuclease_3) 		5 PHE A 196
ARG A 199
GLY A 228
ALA A 229
TYR A 108
 None
 1.49A 2cojA-3rv1A:
undetectable
2cojB-3rv1A:
undetectable		 2cojA-3rv1A:
23.02
2cojB-3rv1A:
23.02
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.
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
 1.16A 2cojA-3us9A:
undetectable
2cojB-3us9A:
undetectable		 2cojA-3us9A:
21.72
2cojB-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) 		7 PHE A  76
TYR A 143
ARG A 145
TYR A 175
GLY A 303
THR A 304
ALA A 305
 COI  A1517 (-4.9A)
COI  A1517 (-4.8A)
None
COI  A1517 ( 4.8A)
PLP  A 371 (-3.6A)
PLP  A 371 ( 3.7A)
COI  A1517 (-3.1A)
 0.49A 2cojA-3uzbA:
39.7
2cojB-3uzbA:
39.9		 2cojA-3uzbA:
32.66
2cojB-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
 1.38A 2cojA-3visA:
undetectable
2cojB-3visA:
undetectable		 2cojA-3visA:
19.59
2cojB-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.
3w2x EXODEOXYRIBONUCLEASE

(Methanothermobacter
thermautotrophicus) 		PF03372
(Exo_endo_phos) 		5 PHE A 128
TYR A  68
GLY A  70
ALA A  63
TYR A 124
 None
None
None
FMT  A 302 (-4.0A)
None
 1.42A 2cojA-3w2xA:
undetectable
2cojB-3w2xA:
undetectable		 2cojA-3w2xA:
22.28
2cojB-3w2xA:
22.28
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.
3wxf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00443
(UCH) 		5 ARG A 644
THR A 881
MET A 882
GLY A 809
VAL A 611
 None
 1.45A 2cojA-3wxfA:
undetectable
2cojB-3wxfA:
undetectable		 2cojA-3wxfA:
22.22
2cojB-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.
3zn6 VP17

(Thermus virus
P23-77) 		no annotation 5 TYR A 135
THR A 124
GLY A 127
ALA A 128
VAL A 183
 None
 1.41A 2cojA-3zn6A:
undetectable
2cojB-3zn6A:
undetectable		 2cojA-3zn6A:
21.78
2cojB-3zn6A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		5 GLY A 719
THR A 716
ALA A 715
TYR A 784
VAL A 798
 None
 1.12A 2cojA-3zqjA:
undetectable
2cojB-3zqjA:
undetectable		 2cojA-3zqjA:
18.04
2cojB-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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 TYR A 230
THR A 152
GLY A 297
ALA A 300
VAL A 204
 None
 1.18A 2cojA-4a01A:
undetectable
2cojB-4a01A:
undetectable		 2cojA-4a01A:
18.54
2cojB-4a01A:
18.54
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.
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 2cojA-4ayzA:
undetectable
2cojB-4ayzA:
undetectable		 2cojA-4ayzA:
20.51
2cojB-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) 		6 PHE A  57
TYR A 124
ARG A 126
GLY A 284
THR A 285
ALA A 286
 None
 0.45A 2cojA-4dqnA:
40.0
2cojB-4dqnA:
40.0		 2cojA-4dqnA:
33.16
2cojB-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
 0.93A 2cojA-4drfB:
undetectable
2cojB-4drfB:
undetectable		 2cojA-4drfB:
19.74
2cojB-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
 1.26A 2cojA-4eipA:
undetectable
2cojB-4eipA:
undetectable		 2cojA-4eipA:
22.62
2cojB-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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 TYR A 109
ARG A 162
TYR A 270
GLY A 267
ALA A 268
 None
SSA  A1001 (-2.8A)
None
None
None
 1.20A 2cojA-4eo4A:
undetectable
2cojB-4eo4A:
undetectable		 2cojA-4eo4A:
20.78
2cojB-4eo4A:
20.78
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 PHE A 323
MET A 818
GLY A 757
THR A 760
ALA A 761
 None
 1.43A 2cojA-4f4cA:
undetectable
2cojB-4f4cA:
undetectable		 2cojA-4f4cA:
15.07
2cojB-4f4cA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.19A 2cojA-4is4A:
undetectable
2cojB-4is4A:
undetectable		 2cojA-4is4A:
22.57
2cojB-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 2cojA-4j0eA:
undetectable
2cojB-4j0eA:
undetectable		 2cojA-4j0eA:
24.31
2cojB-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
 1.24A 2cojA-4jxcA:
undetectable
2cojB-4jxcA:
undetectable		 2cojA-4jxcA:
23.63
2cojB-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
 1.39A 2cojA-4k2aA:
undetectable
2cojB-4k2aA:
undetectable		 2cojA-4k2aA:
19.95
2cojB-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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 TYR A 243
GLY A 192
THR A 198
ALA A 190
VAL A 246
 None
 1.45A 2cojA-4novA:
undetectable
2cojB-4novA:
undetectable		 2cojA-4novA:
21.85
2cojB-4novA:
21.85
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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 PHE A 319
GLY A 306
THR A 295
ALA A 294
VAL A 433
 None
 1.30A 2cojA-4pxlA:
undetectable
2cojB-4pxlA:
undetectable		 2cojA-4pxlA:
21.70
2cojB-4pxlA:
21.70
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 TYR A 179
GLY A  25
THR A  28
ALA A  29
VAL A 321
 None
 1.32A 2cojA-4qiqA:
undetectable
2cojB-4qiqA:
undetectable		 2cojA-4qiqA:
20.24
2cojB-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.
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
 1.19A 2cojA-4qiqA:
undetectable
2cojB-4qiqA:
undetectable		 2cojA-4qiqA:
20.24
2cojB-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
 1.25A 2cojA-4repA:
undetectable
2cojB-4repA:
undetectable		 2cojA-4repA:
23.48
2cojB-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) 		7 PHE A  38
TYR A  98
ARG A 100
TYR A 131
GLY A 257
THR A 258
ALA A 259
 LLP  A 161 ( 4.4A)
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)
 0.53A 2cojA-4whxA:
31.1
2cojB-4whxA:
31.4		 2cojA-4whxA:
26.49
2cojB-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)
 1.38A 2cojA-4wjmA:
undetectable
2cojB-4wjmA:
undetectable		 2cojA-4wjmA:
20.20
2cojB-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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		7 PHE A  31
TYR A  91
ARG A  93
TYR A 124
GLY A 247
THR A 248
ALA A 249
 None
None
None
None
PLP  A 301 ( 3.7A)
PLP  A 301 (-3.5A)
None
 0.49A 2cojA-5ce8A:
31.4
2cojB-5ce8A:
31.5		 2cojA-5ce8A:
25.00
2cojB-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
 1.19A 2cojA-5czwA:
undetectable
2cojB-5czwA:
undetectable		 2cojA-5czwA:
19.03
2cojB-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
 1.30A 2cojA-5czwA:
undetectable
2cojB-5czwA:
undetectable		 2cojA-5czwA:
19.03
2cojB-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
 1.41A 2cojA-5dn6A:
undetectable
2cojB-5dn6A:
undetectable		 2cojA-5dn6A:
22.81
2cojB-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) 		6 PHE A  34
TYR A  89
ARG A  91
GLY A 247
THR A 248
ALA A 249
 AKG  A 302 (-4.9A)
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)
 0.54A 2cojA-5e25A:
29.2
2cojB-5e25A:
29.6		 2cojA-5e25A:
24.56
2cojB-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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 PHE A 155
TYR A 134
ALA A 120
TYR A  91
VAL A  96
 None
 1.49A 2cojA-5e31A:
undetectable
2cojB-5e31A:
undetectable		 2cojA-5e31A:
20.43
2cojB-5e31A:
20.43
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.
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
 1.31A 2cojA-5g5gC:
undetectable
2cojB-5g5gC:
undetectable		 2cojA-5g5gC:
19.92
2cojB-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.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 PHE A 119
THR A 114
GLY A  99
ALA A 765
VAL A 103
 None
 1.15A 2cojA-5jxlA:
undetectable
2cojB-5jxlA:
undetectable		 2cojA-5jxlA:
19.29
2cojB-5jxlA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 6 PHE A  32
TYR A  87
ARG A  89
GLY A 245
THR A 246
ALA A 247
 LLP  A 150 ( 3.9A)
None
None
LLP  A 150 ( 3.4A)
LLP  A 150 ( 3.7A)
None
 0.47A 2cojA-5mqzA:
28.4
2cojB-5mqzA:
28.6		 2cojA-5mqzA:
10.78
2cojB-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)
 1.20A 2cojA-5oc0A:
undetectable
2cojB-5oc0A:
undetectable		 2cojA-5oc0A:
12.97
2cojB-5oc0A:
12.97
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 PHE B  26
TYR B  42
THR B 120
GLY B 117
ALA B 114
 None
 1.41A 2cojA-5op0B:
undetectable
2cojB-5op0B:
undetectable		 2cojA-5op0B:
20.10
2cojB-5op0B:
20.10
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 TYR A1622
MET A1536
GLY A1546
THR A1547
VAL A1620
 None
 1.45A 2cojA-5u1sA:
undetectable
2cojB-5u1sA:
undetectable		 2cojA-5u1sA:
12.27
2cojB-5u1sA:
12.27
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) 		7 PHE A  77
TYR A 144
ARG A 146
MET A 244
GLY A 313
THR A 314
ALA A 315
 None
7TS  A 400 (-4.6A)
None
None
7TS  A 400 (-3.6A)
7TS  A 400 (-3.6A)
None
 0.32A 2cojA-5u3fA:
39.9
2cojB-5u3fA:
40.0		 2cojA-5u3fA:
36.57
2cojB-5u3fA:
36.57
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.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION

(Mycobacterium
tuberculosis) 		no annotation 5 THR A 246
MET A 245
THR A 231
ALA A 228
VAL A 179
 None
1PE  A 401 ( 4.3A)
None
1PE  A 401 ( 4.0A)
None
 1.39A 2cojA-5w95A:
undetectable
2cojB-5w95A:
undetectable		 2cojA-5w95A:
12.23
2cojB-5w95A:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 PHE D 331
THR D 632
GLY D 359
ALA D 357
VAL D 628
 None
None
CL  D 718 (-3.5A)
None
None
 1.21A 2cojA-6eq8D:
undetectable
2cojB-6eq8D:
undetectable		 2cojA-6eq8D:
13.48
2cojB-6eq8D:
13.48