SIMILAR PATTERNS OF AMINO ACIDS FOR 2J9D_E_ACTE1116_0

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.
1ii8 RAD50 ABC-ATPASE
RAD50 ABC-ATPASE

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF13476
(AAA_23)
PF13304
(AAA_21) 		5 GLU B 720
ILE A 184
LYS A 177
GLU B 727
ILE A 180
 None
 1.09A 2j9dD-1ii8B:
0.0
2j9dE-1ii8B:
0.0
2j9dF-1ii8B:
undetectable		 2j9dD-1ii8B:
25.15
2j9dE-1ii8B:
24.72
2j9dF-1ii8B:
25.15
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 GLU A  96
ILE A  94
LYS A  62
GLU A  65
ILE A  61
 None
 1.11A 2j9dD-1qrhA:
0.2
2j9dE-1qrhA:
0.2
2j9dF-1qrhA:
0.4		 2j9dD-1qrhA:
19.84
2j9dE-1qrhA:
19.84
2j9dF-1qrhA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 GLU A  96
ILE A  94
LYS A  62
GLU A  65
ILE A  61
 None
 1.13A 2j9dD-1qrhA:
0.2
2j9dE-1qrhA:
0.2
2j9dF-1qrhA:
0.4		 2j9dD-1qrhA:
19.84
2j9dE-1qrhA:
19.84
2j9dF-1qrhA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 LYS A  62
GLU A  65
ILE A  61
GLU A  96
ILE A  94
 None
 1.13A 2j9dD-1qrhA:
0.2
2j9dE-1qrhA:
0.2
2j9dF-1qrhA:
0.4		 2j9dD-1qrhA:
19.84
2j9dE-1qrhA:
19.84
2j9dF-1qrhA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 GLU A 172
ILE A 141
LYS A 455
GLU A 459
ILE A 456
 None
 0.74A 2j9dD-2ahwA:
0.0
2j9dE-2ahwA:
0.0
2j9dF-2ahwA:
0.0		 2j9dD-2ahwA:
13.94
2j9dE-2ahwA:
13.94
2j9dF-2ahwA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 GLU A 172
ILE A 141
LYS A 455
GLU A 459
ILE A 456
 None
 0.77A 2j9dD-2ahwA:
0.0
2j9dE-2ahwA:
0.0
2j9dF-2ahwA:
0.0		 2j9dD-2ahwA:
13.94
2j9dE-2ahwA:
13.94
2j9dF-2ahwA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 LYS A 455
GLU A 459
ILE A 456
GLU A 172
ILE A 141
 None
 0.71A 2j9dD-2ahwA:
0.0
2j9dE-2ahwA:
0.0
2j9dF-2ahwA:
0.0		 2j9dD-2ahwA:
13.94
2j9dE-2ahwA:
13.94
2j9dF-2ahwA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfa THYMIDYLATE SYNTHASE

(Paramecium
bursaria
Chlorella virus
1) 		PF02511
(Thy1) 		5 LYS B  98
GLU B  20
ILE B 209
GLU B 205
ILE B 172
 None
 1.33A 2j9dD-2cfaB:
0.1
2j9dE-2cfaB:
0.1
2j9dF-2cfaB:
0.0		 2j9dD-2cfaB:
21.56
2j9dE-2cfaB:
21.56
2j9dF-2cfaB:
21.56
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLU A  76
ILE A 172
GLU A 165
ILE A 167
ILE A 137
 None
 1.22A 2j9dD-2cg9A:
0.0
2j9dE-2cg9A:
0.0
2j9dF-2cg9A:
0.0		 2j9dD-2cg9A:
11.37
2j9dE-2cg9A:
11.23
2j9dF-2cg9A:
11.37
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.
2hjv ATP-DEPENDENT RNA
HELICASE DBPA

(Bacillus
subtilis) 		PF00271
(Helicase_C) 		5 LYS A 339
GLU A 216
GLU A 238
ILE A 341
ILE A 366
 None
 1.34A 2j9dD-2hjvA:
0.0
2j9dE-2hjvA:
0.0
2j9dF-2hjvA:
0.0		 2j9dD-2hjvA:
22.81
2j9dE-2hjvA:
22.81
2j9dF-2hjvA:
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.
2j4x MITOGEN

(Streptococcus
dysgalactiae) 		PF02876
(Stap_Strp_tox_C) 		5 GLU A 191
ILE A 193
ILE A 139
LYS A 177
ILE A 169
 None
 1.23A 2j9dD-2j4xA:
undetectable
2j9dE-2j4xA:
undetectable
2j9dF-2j4xA:
0.0		 2j9dD-2j4xA:
19.90
2j9dE-2j4xA:
18.87
2j9dF-2j4xA:
19.90
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.
2j4x MITOGEN

(Streptococcus
dysgalactiae) 		PF02876
(Stap_Strp_tox_C) 		5 LYS A 177
ILE A 169
GLU A 191
ILE A 193
ILE A 139
 None
 1.21A 2j9dD-2j4xA:
undetectable
2j9dE-2j4xA:
undetectable
2j9dF-2j4xA:
0.0		 2j9dD-2j4xA:
19.90
2j9dE-2j4xA:
18.87
2j9dF-2j4xA:
19.90
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 ILE A 152
GLU A 234
GLU A  25
ILE A  23
ILE A 108
 None
WQP  A1350 ( 4.1A)
WQP  A1350 (-4.1A)
None
None
 1.07A 2j9dD-2wqpA:
0.0
2j9dE-2wqpA:
0.0
2j9dF-2wqpA:
0.0		 2j9dD-2wqpA:
16.81
2j9dE-2wqpA:
16.81
2j9dF-2wqpA:
16.81
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ILE A 426
LYS A 410
GLU A 407
ILE A 406
ILE A 424
 None
 1.27A 2j9dD-2xdfA:
undetectable
2j9dE-2xdfA:
undetectable
2j9dF-2xdfA:
undetectable		 2j9dD-2xdfA:
12.76
2j9dE-2xdfA:
12.76
2j9dF-2xdfA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A 237
LYS A 598
GLU A 595
GLU A 398
ILE A 229
 None
 1.26A 2j9dD-2xvgA:
undetectable
2j9dE-2xvgA:
undetectable
2j9dF-2xvgA:
undetectable		 2j9dD-2xvgA:
9.19
2j9dE-2xvgA:
9.08
2j9dF-2xvgA:
9.19
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A 398
ILE A 229
GLU A 237
LYS A 598
GLU A 595
 None
 1.31A 2j9dD-2xvgA:
undetectable
2j9dE-2xvgA:
undetectable
2j9dF-2xvgA:
undetectable		 2j9dD-2xvgA:
9.19
2j9dE-2xvgA:
9.08
2j9dF-2xvgA:
9.19
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 LYS A 598
GLU A 595
GLU A 398
ILE A 229
GLU A 237
 None
 1.28A 2j9dD-2xvgA:
undetectable
2j9dE-2xvgA:
undetectable
2j9dF-2xvgA:
undetectable		 2j9dD-2xvgA:
9.19
2j9dE-2xvgA:
9.08
2j9dF-2xvgA:
9.19
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.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 GLU A 546
ILE A 542
GLU A 466
GLU A 561
ILE A 562
 None
 1.39A 2j9dD-3cf0A:
undetectable
2j9dE-3cf0A:
undetectable
2j9dF-3cf0A:
undetectable		 2j9dD-3cf0A:
21.63
2j9dE-3cf0A:
21.63
2j9dF-3cf0A:
21.63
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.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 GLU A 546
ILE A 542
ILE A 540
GLU A 561
ILE A 562
 None
 1.33A 2j9dD-3cf0A:
undetectable
2j9dE-3cf0A:
undetectable
2j9dF-3cf0A:
undetectable		 2j9dD-3cf0A:
21.63
2j9dE-3cf0A:
21.63
2j9dF-3cf0A:
21.63
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.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 GLU A 561
ILE A 562
GLU A 546
ILE A 542
ILE A 540
 None
 1.34A 2j9dD-3cf0A:
undetectable
2j9dE-3cf0A:
undetectable
2j9dF-3cf0A:
undetectable		 2j9dD-3cf0A:
21.63
2j9dE-3cf0A:
21.63
2j9dF-3cf0A:
21.63
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 GLU A  94
ILE A  90
ILE A  75
LYS A 112
ILE A 100
 None
 1.35A 2j9dD-3kl7A:
undetectable
2j9dE-3kl7A:
undetectable
2j9dF-3kl7A:
undetectable		 2j9dD-3kl7A:
19.47
2j9dE-3kl7A:
19.47
2j9dF-3kl7A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 ILE A  75
LYS A 112
ILE A 100
GLU A  94
ILE A  90
 None
 1.34A 2j9dD-3kl7A:
undetectable
2j9dE-3kl7A:
undetectable
2j9dF-3kl7A:
undetectable		 2j9dD-3kl7A:
19.47
2j9dE-3kl7A:
19.47
2j9dF-3kl7A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LYS A 112
ILE A 100
GLU A  94
ILE A  90
ILE A  75
 None
 1.41A 2j9dD-3kl7A:
undetectable
2j9dE-3kl7A:
undetectable
2j9dF-3kl7A:
undetectable		 2j9dD-3kl7A:
19.47
2j9dE-3kl7A:
19.47
2j9dF-3kl7A:
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.
3mix FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Bacillus
subtilis) 		PF00771
(FHIPEP) 		5 GLU A 323
ILE A 319
LYS A 402
GLU A 347
GLU A 345
 None
 1.46A 2j9dD-3mixA:
undetectable
2j9dE-3mixA:
undetectable
2j9dF-3mixA:
undetectable		 2j9dD-3mixA:
16.54
2j9dE-3mixA:
16.54
2j9dF-3mixA:
16.54
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.
3mmw ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		5 GLU A  27
ILE A  34
GLU A  23
ILE A  52
ILE A  18
 None
 1.44A 2j9dD-3mmwA:
undetectable
2j9dE-3mmwA:
undetectable
2j9dF-3mmwA:
undetectable		 2j9dD-3mmwA:
17.36
2j9dE-3mmwA:
17.78
2j9dF-3mmwA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		5 ILE A 421
GLU A 490
ILE A 489
GLU A 584
ILE A 492
 None
 1.30A 2j9dD-3odwA:
undetectable
2j9dE-3odwA:
undetectable
2j9dF-3odwA:
undetectable		 2j9dD-3odwA:
11.94
2j9dE-3odwA:
11.94
2j9dF-3odwA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ILE A 319
LYS A 236
GLU A 239
ILE A 240
ILE A 321
 None
 1.22A 2j9dD-3q6dA:
undetectable
2j9dE-3q6dA:
undetectable
2j9dF-3q6dA:
0.9		 2j9dD-3q6dA:
20.07
2j9dE-3q6dA:
16.85
2j9dF-3q6dA:
20.07
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LYS A 236
GLU A 239
ILE A 240
ILE A 321
ILE A 319
 None
 1.19A 2j9dD-3q6dA:
undetectable
2j9dE-3q6dA:
undetectable
2j9dF-3q6dA:
0.9		 2j9dD-3q6dA:
20.07
2j9dE-3q6dA:
16.85
2j9dF-3q6dA:
20.07
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A   6
LYS A  39
GLU A  92
ILE A  94
ILE A  35
 MTX  A2001 (-4.0A)
None
None
None
None
 1.39A 2j9dD-3tq9A:
undetectable
2j9dE-3tq9A:
undetectable
2j9dF-3tq9A:
undetectable		 2j9dD-3tq9A:
20.79
2j9dE-3tq9A:
20.79
2j9dF-3tq9A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A  35
ILE A   6
LYS A  39
GLU A  92
ILE A  94
 None
MTX  A2001 (-4.0A)
None
None
None
 1.45A 2j9dD-3tq9A:
undetectable
2j9dE-3tq9A:
undetectable
2j9dF-3tq9A:
undetectable		 2j9dD-3tq9A:
20.79
2j9dE-3tq9A:
20.79
2j9dF-3tq9A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 LYS A  39
GLU A  92
ILE A  94
ILE A  35
ILE A   6
 None
None
None
None
MTX  A2001 (-4.0A)
 1.46A 2j9dD-3tq9A:
undetectable
2j9dE-3tq9A:
undetectable
2j9dF-3tq9A:
undetectable		 2j9dD-3tq9A:
20.79
2j9dE-3tq9A:
20.79
2j9dF-3tq9A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLU X 479
ILE X 477
LYS X 467
GLU X 504
ILE X 468
 None
 1.19A 2j9dD-3zyyX:
undetectable
2j9dE-3zyyX:
undetectable
2j9dF-3zyyX:
undetectable		 2j9dD-3zyyX:
12.14
2j9dE-3zyyX:
12.30
2j9dF-3zyyX:
12.14
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A  91
ILE A  93
LYS A 106
GLU A 110
ILE A 107
 None
 1.34A 2j9dD-4b6lA:
2.3
2j9dE-4b6lA:
1.6
2j9dF-4b6lA:
2.3		 2j9dD-4b6lA:
16.40
2j9dE-4b6lA:
17.39
2j9dF-4b6lA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLU A  50
ILE A  49
GLU A  88
GLU A  20
ILE A  79
 None
None
None
None
NDP  A 502 (-3.9A)
 1.29A 2j9dD-4hcxA:
undetectable
2j9dE-4hcxA:
undetectable
2j9dF-4hcxA:
undetectable		 2j9dD-4hcxA:
15.93
2j9dE-4hcxA:
16.14
2j9dF-4hcxA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLU A  88
GLU A  20
ILE A  79
GLU A  50
ILE A  49
 None
None
NDP  A 502 (-3.9A)
None
None
 1.28A 2j9dD-4hcxA:
undetectable
2j9dE-4hcxA:
undetectable
2j9dF-4hcxA:
undetectable		 2j9dD-4hcxA:
15.93
2j9dE-4hcxA:
16.14
2j9dF-4hcxA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		5 LYS A 420
GLU A 436
ILE A 417
ILE A 416
ILE A 413
 None
 1.19A 2j9dD-4lerA:
undetectable
2j9dE-4lerA:
undetectable
2j9dF-4lerA:
undetectable		 2j9dD-4lerA:
13.19
2j9dE-4lerA:
12.98
2j9dF-4lerA:
13.19
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.
4m75 U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM4

(Saccharomyces
cerevisiae) 		PF01423
(LSM) 		5 ILE G  69
GLU G  45
GLU G  23
ILE G  25
ILE G  71
 None
 1.19A 2j9dD-4m75G:
undetectable
2j9dE-4m75G:
undetectable
2j9dF-4m75G:
undetectable		 2j9dD-4m75G:
20.47
2j9dE-4m75G:
20.47
2j9dF-4m75G:
20.47
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.
4oyd APOPTOSIS REGULATOR
BHRF1
COMPUTATIONALLY
DESIGNED INHIBITOR

(Human
gammaherpesvirus
4;
synthetic
construct) 		PF00452
(Bcl-2)
no annotation 		5 LYS B  96
GLU B  93
ILE B  64
GLU A  56
LYS B  68
 None
 1.47A 2j9dD-4oydB:
undetectable
2j9dE-4oydB:
undetectable
2j9dF-4oydB:
undetectable		 2j9dD-4oydB:
21.17
2j9dE-4oydB:
21.17
2j9dF-4oydB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1) 		PF01183
(Glyco_hydro_25) 		5 LYS A 190
ILE A 186
ILE A  55
LYS A   2
ILE A  25
 None
 1.40A 2j9dD-5a6sA:
0.5
2j9dE-5a6sA:
undetectable
2j9dF-5a6sA:
undetectable		 2j9dD-5a6sA:
17.45
2j9dE-5a6sA:
16.55
2j9dF-5a6sA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 GLU A 209
ILE A 212
ILE A 259
GLU A 261
ILE A 173
 None
 1.01A 2j9dD-5cm5A:
undetectable
2j9dE-5cm5A:
undetectable
2j9dF-5cm5A:
undetectable		 2j9dD-5cm5A:
18.82
2j9dE-5cm5A:
18.82
2j9dF-5cm5A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 GLU A 261
ILE A 173
GLU A 209
ILE A 212
ILE A 259
 None
 1.00A 2j9dD-5cm5A:
undetectable
2j9dE-5cm5A:
undetectable
2j9dF-5cm5A:
undetectable		 2j9dD-5cm5A:
18.82
2j9dE-5cm5A:
18.82
2j9dF-5cm5A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 ILE A 259
GLU A 261
ILE A 173
GLU A 209
ILE A 212
 None
 1.00A 2j9dD-5cm5A:
undetectable
2j9dE-5cm5A:
undetectable
2j9dF-5cm5A:
undetectable		 2j9dD-5cm5A:
18.82
2j9dE-5cm5A:
18.82
2j9dF-5cm5A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 LYS A 215
GLU A 212
GLU A  45
ILE A 221
ILE A  88
 None
 1.31A 2j9dD-5hxwA:
2.0
2j9dE-5hxwA:
1.7
2j9dF-5hxwA:
2.0		 2j9dD-5hxwA:
13.50
2j9dE-5hxwA:
13.50
2j9dF-5hxwA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		5 GLU A 109
GLU A 144
ILE A 108
GLU A 236
ILE A 208
 FE  A 401 (-2.8A)
FE  A 402 ( 2.3A)
None
FE  A 402 ( 2.0A)
None
 1.39A 2j9dD-5hyhA:
undetectable
2j9dE-5hyhA:
0.0
2j9dF-5hyhA:
0.0		 2j9dD-5hyhA:
16.04
2j9dE-5hyhA:
17.57
2j9dF-5hyhA:
16.04
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 GLU A 319
ILE A 318
ILE A 344
GLU A 411
ILE A 415
 None
 1.17A 2j9dD-5kkgA:
undetectable
2j9dE-5kkgA:
undetectable
2j9dF-5kkgA:
undetectable		 2j9dD-5kkgA:
14.98
2j9dE-5kkgA:
14.98
2j9dF-5kkgA:
14.98
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 GLU A 411
ILE A 415
GLU A 319
ILE A 318
ILE A 344
 None
 1.20A 2j9dD-5kkgA:
undetectable
2j9dE-5kkgA:
undetectable
2j9dF-5kkgA:
undetectable		 2j9dD-5kkgA:
14.98
2j9dE-5kkgA:
14.98
2j9dF-5kkgA:
14.98
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 631
GLU A 649
ILE A 651
GLU A 662
ILE A 661
 None
 1.22A 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
0.0		 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 649
ILE A 651
GLU A 662
ILE A 661
GLU A 631
 None
 1.25A 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
0.0		 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 662
ILE A 661
GLU A 631
GLU A 649
ILE A 651
 None
 1.23A 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
0.0		 2j9dD-5opqA:
undetectable
2j9dE-5opqA:
undetectable
2j9dF-5opqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LYS A1237
GLU A1198
ILE A1239
GLU A1167
GLU A1153
 None
 1.32A 2j9dD-5xogA:
2.3
2j9dE-5xogA:
undetectable
2j9dF-5xogA:
4.2		 2j9dD-5xogA:
6.28
2j9dE-5xogA:
5.43
2j9dF-5xogA:
6.28