SIMILAR PATTERNS OF AMINO ACIDS FOR 2J2P_F_SC2F1291

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.
1aow ANNEXIN IV

(Bos taurus) 		PF00191
(Annexin) 		4 LEU A  71
SER A  69
ASP A  66
ASP A  65
 None
 1.07A 2j2pE-1aowA:
undetectable
2j2pF-1aowA:
undetectable		 2j2pE-1aowA:
21.45
2j2pF-1aowA:
21.45
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.
1gpj GLUTAMYL-TRNA
REDUCTASE

(Methanopyrus
kandleri) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		4 LEU A 330
ASP A 386
ASP A   3
GLU A 323
 None
 1.17A 2j2pE-1gpjA:
0.0
2j2pF-1gpjA:
0.0		 2j2pE-1gpjA:
18.95
2j2pF-1gpjA:
18.95
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.
1h3d ATP-PHOSPHORIBOSYLTR
ANSFERASE

(Escherichia
coli) 		PF01634
(HisG)
PF08029
(HisG_C) 		4 LEU A 151
SER A 130
ASP A 169
GLU A 156
 None
None
AMP  A 400 (-2.8A)
AMP  A 400 (-3.1A)
 1.14A 2j2pE-1h3dA:
0.0
2j2pF-1h3dA:
0.0		 2j2pE-1h3dA:
22.55
2j2pF-1h3dA:
22.55
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.
1hzf COMPLEMENT FACTOR
C4A

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		4 LEU A1003
SER A1006
ASP A1010
GLU A1072
 None
 1.15A 2j2pE-1hzfA:
0.0
2j2pF-1hzfA:
0.0		 2j2pE-1hzfA:
24.23
2j2pF-1hzfA:
24.23
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 SER A  79
LEU A  80
ASP A  75
GLU A 179
 None
 1.22A 2j2pE-1i1qA:
0.0
2j2pF-1i1qA:
0.0		 2j2pE-1i1qA:
18.90
2j2pF-1i1qA:
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 SER A 294
LEU A 290
SER A 275
ASP A 223
 None
 1.23A 2j2pE-1k8gA:
0.0
2j2pF-1k8gA:
0.0		 2j2pE-1k8gA:
20.06
2j2pF-1k8gA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 SER A  89
LEU A  86
ASP A 121
GLU A 258
 None
 0.96A 2j2pE-1kh2A:
undetectable
2j2pF-1kh2A:
undetectable		 2j2pE-1kh2A:
18.09
2j2pF-1kh2A:
18.09
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 139
LEU A 319
ASP A 195
GLU A 247
 APG  A 361 (-3.6A)
None
MG  A 360 (-2.5A)
MG  A 360 (-2.5A)
 1.10A 2j2pE-1mnsA:
0.0
2j2pF-1mnsA:
0.0		 2j2pE-1mnsA:
18.84
2j2pF-1mnsA:
18.84
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 SER A 294
LEU A 290
SER A 275
ASP A 223
 None
 1.05A 2j2pE-1ph5A:
undetectable
2j2pF-1ph5A:
undetectable		 2j2pE-1ph5A:
18.18
2j2pF-1ph5A:
18.18
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.
1s7m HIA

(Haemophilus
influenzae) 		PF15403
(HiaBD2) 		4 SER A 608
SER A 609
ASP A 611
ASP A 628
 None
 1.19A 2j2pE-1s7mA:
undetectable
2j2pF-1s7mA:
undetectable		 2j2pE-1s7mA:
22.41
2j2pF-1s7mA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 LEU A 419
SER A 422
ASP A 424
GLU A 357
 None
 1.04A 2j2pE-1smaA:
undetectable
2j2pF-1smaA:
undetectable		 2j2pE-1smaA:
16.78
2j2pF-1smaA:
16.78
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		4 SER A 460
LEU A 456
SER A 461
ASP A 428
 None
 1.22A 2j2pE-1ukcA:
undetectable
2j2pF-1ukcA:
undetectable		 2j2pE-1ukcA:
17.35
2j2pF-1ukcA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		4 LEU A 296
SER A 222
ASP A 299
GLU A 302
 None
 1.11A 2j2pE-1wkrA:
undetectable
2j2pF-1wkrA:
undetectable		 2j2pE-1wkrA:
22.02
2j2pF-1wkrA:
22.02
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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 LEU A 151
SER A 148
ASP A  13
ASP A  15
 None
None
MN  A 601 (-2.1A)
MN  A 602 (-3.1A)
 0.95A 2j2pE-1wpnA:
undetectable
2j2pF-1wpnA:
undetectable		 2j2pE-1wpnA:
21.74
2j2pF-1wpnA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8m FIS1

(Saccharomyces
cerevisiae) 		PF14852
(Fis1_TPR_N)
PF14853
(Fis1_TPR_C) 		4 LEU A  17
SER A  52
ASP A  57
ASP A  54
 None
 1.00A 2j2pE-1y8mA:
undetectable
2j2pF-1y8mA:
undetectable		 2j2pE-1y8mA:
18.61
2j2pF-1y8mA:
18.61
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.
1yii ANNEXIN A5

(Gallus gallus) 		PF00191
(Annexin) 		4 LEU A  73
SER A  71
ASP A  68
ASP A  67
 None
 1.14A 2j2pE-1yiiA:
undetectable
2j2pF-1yiiA:
undetectable		 2j2pE-1yiiA:
21.14
2j2pF-1yiiA:
21.14
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 SER A 185
LEU A 188
ASP A 165
ASP A 168
 None
 1.17A 2j2pE-2acvA:
undetectable
2j2pF-2acvA:
undetectable		 2j2pE-2acvA:
18.82
2j2pF-2acvA:
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.
2bkr SENTRIN-SPECIFIC
PROTEASE 8

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 LEU A 106
SER A 104
ASP A 119
GLU A 151
 None
 1.16A 2j2pE-2bkrA:
undetectable
2j2pF-2bkrA:
undetectable		 2j2pE-2bkrA:
24.50
2j2pF-2bkrA:
24.50
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.
2c4n PROTEIN NAGD

(Escherichia
coli) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 SER A 225
LEU A 203
SER A 226
ASP A 228
 None
 0.96A 2j2pE-2c4nA:
undetectable
2j2pF-2c4nA:
undetectable		 2j2pE-2c4nA:
22.10
2j2pF-2c4nA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 SER A 129
ASP A 147
ASP A 149
GLU A 320
 None
 0.48A 2j2pE-2d39A:
33.1
2j2pF-2d39A:
33.2		 2j2pE-2d39A:
81.65
2j2pF-2d39A:
81.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN

(Escherichia
coli) 		PF03255
(ACCA) 		4 LEU A 146
ASP A  97
ASP A  98
GLU A  88
 None
 1.15A 2j2pE-2f9yA:
undetectable
2j2pF-2f9yA:
undetectable		 2j2pE-2f9yA:
17.42
2j2pF-2f9yA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		4 SER A 206
LEU A 209
SER A 207
ASP A 231
 None
 1.03A 2j2pE-2fvzA:
undetectable
2j2pF-2fvzA:
undetectable		 2j2pE-2fvzA:
19.49
2j2pF-2fvzA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LEU A 151
SER A 148
ASP A  13
ASP A  15
 None
MG  A1004 ( 4.5A)
MG  A1001 ( 2.0A)
MG  A1002 ( 3.3A)
 1.03A 2j2pE-2hawA:
undetectable
2j2pF-2hawA:
undetectable		 2j2pE-2hawA:
21.10
2j2pF-2hawA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hgm HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F

(Homo sapiens) 		PF00076
(RRM_1) 		4 SER A 104
SER A 187
ASP A 110
ASP A 106
 None
 1.15A 2j2pE-2hgmA:
undetectable
2j2pF-2hgmA:
undetectable		 2j2pE-2hgmA:
20.64
2j2pF-2hgmA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nz2 ARGININOSUCCINATE
SYNTHASE

(Homo sapiens) 		PF00764
(Arginosuc_synth) 		4 SER A  92
LEU A  89
ASP A 124
GLU A 270
 None
None
ASP  A 501 ( 3.6A)
CIR  A 502 (-2.6A)
 1.07A 2j2pE-2nz2A:
undetectable
2j2pF-2nz2A:
undetectable		 2j2pE-2nz2A:
19.47
2j2pF-2nz2A:
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.
2oix XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		4 LEU A 413
SER A 411
ASP A 429
GLU A 458
 None
 1.18A 2j2pE-2oixA:
undetectable
2j2pF-2oixA:
undetectable		 2j2pE-2oixA:
22.75
2j2pF-2oixA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0y HYPOTHETICAL PROTEIN
LP_0780

(Lactobacillus
plantarum) 		PF01933
(UPF0052) 		4 SER A 285
SER A 240
ASP A 243
ASP A 287
 None
 1.24A 2j2pE-2p0yA:
undetectable
2j2pF-2p0yA:
undetectable		 2j2pE-2p0yA:
22.53
2j2pF-2p0yA:
22.53
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		4 LEU A 293
SER A 296
ASP A 284
ASP A 287
 FAD  A 348 (-3.6A)
FAD  A 348 (-3.3A)
FAD  A 348 (-3.0A)
None
 1.09A 2j2pE-2q7vA:
undetectable
2j2pF-2q7vA:
undetectable		 2j2pE-2q7vA:
17.77
2j2pF-2q7vA:
17.77
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.
2qb0 TELSAM DOMAIN -
LYSOZYME CHIMERA

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF02198
(SAM_PNT) 		4 SER B  30
ASP B  33
ASP B  32
GLU B 157
 None
MN  B 257 (-2.6A)
None
MN  B 257 (-2.9A)
 1.14A 2j2pE-2qb0B:
undetectable
2j2pF-2qb0B:
undetectable		 2j2pE-2qb0B:
22.58
2j2pF-2qb0B:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 SER A 220
SER A 261
ASP A 228
GLU A 299
 None
 1.17A 2j2pE-2vveA:
undetectable
2j2pF-2vveA:
undetectable		 2j2pE-2vveA:
23.02
2j2pF-2vveA:
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.
2vwq GLUCOSE
DEHYDROGENASE

(Haloferax
mediterranei) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 LEU A 187
SER A 183
ASP A  38
GLU A 150
 None
NAP  A 500 (-3.6A)
ZN  A 800 (-3.5A)
ZN  A 800 (-2.7A)
 1.05A 2j2pE-2vwqA:
undetectable
2j2pF-2vwqA:
undetectable		 2j2pE-2vwqA:
19.94
2j2pF-2vwqA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 SER F 100
ASP F 118
ASP F 120
GLU F 291
 None
 0.45A 2j2pE-2wnpF:
40.5
2j2pF-2wnpF:
39.6		 2j2pE-2wnpF:
83.49
2j2pF-2wnpF:
83.49
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 LEU A 805
ASP A 710
ASP A 778
GLU A 592
 None
None
BGC  A2144 (-2.8A)
None
 0.95A 2j2pE-2ya1A:
undetectable
2j2pF-2ya1A:
undetectable		 2j2pE-2ya1A:
11.54
2j2pF-2ya1A:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 LEU A 350
ASP A 255
ASP A 323
GLU A 137
 None
None
NOJ  A1689 (-2.8A)
None
 0.93A 2j2pE-2ya2A:
undetectable
2j2pF-2ya2A:
undetectable		 2j2pE-2ya2A:
14.81
2j2pF-2ya2A:
14.81
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.
3ajz ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		4 SER A  35
SER A  38
ASP A  63
ASP A  37
 None
 1.18A 2j2pE-3ajzA:
undetectable
2j2pF-3ajzA:
undetectable		 2j2pE-3ajzA:
20.09
2j2pF-3ajzA:
20.09
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		4 SER A 128
ASP A   7
ASP A 125
GLU A  52
 None
 1.20A 2j2pE-3alyA:
undetectable
2j2pF-3alyA:
undetectable		 2j2pE-3alyA:
19.27
2j2pF-3alyA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		4 SER A 266
LEU A 268
SER A  72
ASP A 264
 None
None
None
GOL  A 401 (-3.0A)
 1.16A 2j2pE-3cs3A:
undetectable
2j2pF-3cs3A:
undetectable		 2j2pE-3cs3A:
20.49
2j2pF-3cs3A:
20.49
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.
3cyg UNCHARACTERIZED
PROTEIN

(Fervidobacterium
nodosum) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		4 LEU A 156
SER A 198
ASP A 195
GLU A 165
 None
 1.17A 2j2pE-3cygA:
undetectable
2j2pF-3cygA:
undetectable		 2j2pE-3cygA:
17.97
2j2pF-3cygA:
17.97
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 SER A 180
LEU A 141
SER A 181
ASP A 130
 None
 1.14A 2j2pE-3d8kA:
undetectable
2j2pF-3d8kA:
undetectable		 2j2pE-3d8kA:
20.73
2j2pF-3d8kA:
20.73
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 SER C 331
LEU C 334
SER C 332
ASP C 493
 None
 1.01A 2j2pE-3degC:
undetectable
2j2pF-3degC:
undetectable		 2j2pE-3degC:
16.45
2j2pF-3degC:
16.45
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 SER A 816
LEU A 817
ASP A 810
ASP A 812
 None
 1.18A 2j2pE-3egiA:
undetectable
2j2pF-3egiA:
undetectable		 2j2pE-3egiA:
23.63
2j2pF-3egiA:
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.
3eiq PROGRAMMED CELL
DEATH PROTEIN 4

(Mus musculus) 		PF02847
(MA3) 		4 SER C 206
LEU C 207
ASP C 246
GLU C 165
 None
 1.21A 2j2pE-3eiqC:
undetectable
2j2pF-3eiqC:
undetectable		 2j2pE-3eiqC:
20.91
2j2pF-3eiqC:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		4 LEU A 108
SER A 104
ASP A 106
GLU A 135
 None
 1.15A 2j2pE-3f4kA:
undetectable
2j2pF-3f4kA:
undetectable		 2j2pE-3f4kA:
21.76
2j2pF-3f4kA:
21.76
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		4 SER A 128
ASP A 131
ASP A 130
GLU A 294
 None
 1.22A 2j2pE-3fjyA:
undetectable
2j2pF-3fjyA:
undetectable		 2j2pE-3fjyA:
17.80
2j2pF-3fjyA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fwy LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Rhodobacter
sphaeroides) 		PF00142
(Fer4_NifH) 		4 SER A  49
LEU A  77
ASP A 153
GLU A 116
 None
None
MG  A 401 ( 4.0A)
None
 1.17A 2j2pE-3fwyA:
undetectable
2j2pF-3fwyA:
undetectable		 2j2pE-3fwyA:
20.07
2j2pF-3fwyA:
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.
3fwy LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Rhodobacter
sphaeroides) 		PF00142
(Fer4_NifH) 		4 SER A  49
SER A  48
ASP A 153
GLU A 116
 None
None
MG  A 401 ( 4.0A)
None
 1.17A 2j2pE-3fwyA:
undetectable
2j2pF-3fwyA:
undetectable		 2j2pE-3fwyA:
20.07
2j2pF-3fwyA:
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.
3h87 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		4 SER A  11
ASP A   9
ASP A 117
GLU A  43
 None
None
MG  A 159 (-2.6A)
None
 1.12A 2j2pE-3h87A:
undetectable
2j2pF-3h87A:
undetectable		 2j2pE-3h87A:
20.09
2j2pF-3h87A:
20.09
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.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		4 LEU A 108
SER A 104
ASP A 106
GLU A 135
 None
SAM  A 301 (-3.1A)
None
None
 1.22A 2j2pE-3kkzA:
undetectable
2j2pF-3kkzA:
undetectable		 2j2pE-3kkzA:
20.36
2j2pF-3kkzA:
20.36
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		4 LEU A   8
SER A  57
ASP A  59
GLU A  63
 None
 1.20A 2j2pE-3m4aA:
undetectable
2j2pF-3m4aA:
undetectable		 2j2pE-3m4aA:
20.74
2j2pF-3m4aA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq0 TRANSCRIPTIONAL
REPRESSOR OF THE
BLCABC OPERON

(Agrobacterium
tumefaciens) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 SER A 188
LEU A 184
ASP A 210
ASP A 211
 None
 1.24A 2j2pE-3mq0A:
undetectable
2j2pF-3mq0A:
undetectable		 2j2pE-3mq0A:
20.07
2j2pF-3mq0A:
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.
3oac GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Mentha x
piperita) 		no annotation 4 SER B 123
LEU B 120
ASP B 131
ASP B 125
 None
 1.19A 2j2pE-3oacB:
undetectable
2j2pF-3oacB:
undetectable		 2j2pE-3oacB:
20.45
2j2pF-3oacB:
20.45
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 145
SER A 144
ASP A 331
GLU A 254
 None
None
None
MG  A 390 (-2.6A)
 1.01A 2j2pE-3ozyA:
undetectable
2j2pF-3ozyA:
undetectable		 2j2pE-3ozyA:
17.79
2j2pF-3ozyA:
17.79
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		4 SER A 274
LEU A 276
SER A  54
ASP A  45
 None
 1.17A 2j2pE-3pzlA:
undetectable
2j2pF-3pzlA:
undetectable		 2j2pE-3pzlA:
21.15
2j2pF-3pzlA:
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.
3sok FIMBRIAL PROTEIN

(Dichelobacter
nodosus) 		PF00114
(Pilin)
PF07963
(N_methyl) 		4 SER A  64
SER A  66
ASP A  49
GLU A  52
 None
 1.12A 2j2pE-3sokA:
undetectable
2j2pF-3sokA:
undetectable		 2j2pE-3sokA:
22.37
2j2pF-3sokA:
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.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 139
LEU A 320
ASP A 196
GLU A 248
 None
None
CA  A 361 ( 2.9A)
CA  A 361 ( 2.2A)
 1.11A 2j2pE-3toyA:
undetectable
2j2pF-3toyA:
undetectable		 2j2pE-3toyA:
20.79
2j2pF-3toyA:
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.
3utn THIOSULFATE
SULFURTRANSFERASE
TUM1

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		4 LEU X  85
SER X  83
ASP X  80
ASP X  79
 DMS  X 409 (-4.0A)
None
None
None
 1.22A 2j2pE-3utnX:
undetectable
2j2pF-3utnX:
undetectable		 2j2pE-3utnX:
19.69
2j2pF-3utnX:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 SER B 903
LEU B1020
SER B 969
ASP B 971
GLU B1028
 None
 1.42A 2j2pE-3v0aB:
undetectable
2j2pF-3v0aB:
undetectable		 2j2pE-3v0aB:
10.15
2j2pF-3v0aB:
10.15
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300

(Pyrococcus
horikoshii) 		PF01171
(ATP_bind_3) 		4 LEU A 164
SER A 162
ASP A 159
ASP A 158
 None
None
BCN  A 403 (-3.7A)
None
 1.24A 2j2pE-3vrhA:
undetectable
2j2pF-3vrhA:
undetectable		 2j2pE-3vrhA:
20.13
2j2pF-3vrhA:
20.13
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 LEU A1019
SER A 968
ASP A 970
GLU A1027
 None
 1.01A 2j2pE-3vuoA:
undetectable
2j2pF-3vuoA:
undetectable		 2j2pE-3vuoA:
10.79
2j2pF-3vuoA:
10.79
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 LEU A 440
ASP A 342
ASP A 413
GLU A 226
 None
None
MTT  A 802 (-2.8A)
None
 0.94A 2j2pE-3wdjA:
undetectable
2j2pF-3wdjA:
undetectable		 2j2pE-3wdjA:
16.12
2j2pF-3wdjA:
16.12
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 SER A  86
LEU A  83
ASP A 412
ASP A 414
 PEG  A1669 (-4.6A)
None
None
None
 0.96A 2j2pE-3zukA:
undetectable
2j2pF-3zukA:
undetectable		 2j2pE-3zukA:
15.47
2j2pF-3zukA:
15.47
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.
3zzi ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 LEU A 393
SER A 396
ASP A 397
ASP A 415
 None
 1.19A 2j2pE-3zziA:
undetectable
2j2pF-3zziA:
undetectable		 2j2pE-3zziA:
19.47
2j2pF-3zziA:
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 SER A 193
LEU A  36
SER A 212
GLU A 188
 None
 1.23A 2j2pE-4c3yA:
undetectable
2j2pF-4c3yA:
undetectable		 2j2pE-4c3yA:
18.67
2j2pF-4c3yA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgb ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 2

(Homo sapiens) 		no annotation 4 LEU A  22
SER A  20
ASP A  17
ASP A  16
 None
 1.16A 2j2pE-4cgbA:
undetectable
2j2pF-4cgbA:
undetectable		 2j2pE-4cgbA:
14.69
2j2pF-4cgbA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dmm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Synechococcus
elongatus) 		PF13561
(adh_short_C2) 		4 LEU A 114
SER A 112
ASP A 109
ASP A 108
 None
 1.17A 2j2pE-4dmmA:
undetectable
2j2pF-4dmmA:
undetectable		 2j2pE-4dmmA:
19.49
2j2pF-4dmmA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 SER A 154
ASP A 300
ASP A 194
GLU A 391
 None
 1.12A 2j2pE-4dwsA:
undetectable
2j2pF-4dwsA:
undetectable		 2j2pE-4dwsA:
17.88
2j2pF-4dwsA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4b FAR1

(Staphylococcus
aureus) 		PF07299
(EF-G-binding_N)
PF16571
(FBP_C) 		4 SER A  58
LEU A  59
ASP A  52
ASP A  54
 None
 1.12A 2j2pE-4e4bA:
undetectable
2j2pF-4e4bA:
undetectable		 2j2pE-4e4bA:
18.64
2j2pF-4e4bA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 LEU A  93
SER A 106
ASP A 498
ASP A 103
 LEU  A  93 ( 0.6A)
SER  A 106 ( 0.0A)
ASP  A 498 ( 0.6A)
ASP  A 103 ( 0.6A)
 1.15A 2j2pE-4g9kA:
undetectable
2j2pF-4g9kA:
undetectable		 2j2pE-4g9kA:
17.78
2j2pF-4g9kA:
17.78
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 LEU A 311
SER A 296
ASP A 297
ASP A 298
 None
 1.11A 2j2pE-4k9qA:
undetectable
2j2pF-4k9qA:
undetectable		 2j2pE-4k9qA:
18.41
2j2pF-4k9qA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llv 4E10 FV HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  16
LEU A  82
SER A  17
GLU A  10
 None
 1.17A 2j2pE-4llvA:
undetectable
2j2pF-4llvA:
undetectable		 2j2pE-4llvA:
21.53
2j2pF-4llvA:
21.53
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		4 SER A 262
LEU A 181
ASP A 264
GLU A 222
 None
 1.20A 2j2pE-4n9wA:
undetectable
2j2pF-4n9wA:
undetectable		 2j2pE-4n9wA:
20.51
2j2pF-4n9wA:
20.51
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 SER A 923
LEU A 929
ASP A 770
GLU A  74
 None
 1.23A 2j2pE-4nmeA:
undetectable
2j2pF-4nmeA:
undetectable		 2j2pE-4nmeA:
12.20
2j2pF-4nmeA:
12.20
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 SER A 347
LEU A 348
SER A 183
GLU A 316
 None
 1.06A 2j2pE-4nzsA:
undetectable
2j2pF-4nzsA:
undetectable		 2j2pE-4nzsA:
21.97
2j2pF-4nzsA:
21.97
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 152
LEU A 189
ASP A 180
GLU A  72
 None
None
LLP  A 205 ( 3.2A)
None
 1.12A 2j2pE-4oc9A:
undetectable
2j2pF-4oc9A:
undetectable		 2j2pE-4oc9A:
17.72
2j2pF-4oc9A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		4 LEU A 263
SER A 265
ASP A 269
ASP A 205
 None
 1.22A 2j2pE-4p6bA:
undetectable
2j2pF-4p6bA:
undetectable		 2j2pE-4p6bA:
19.35
2j2pF-4p6bA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pc9 C4-DICARBOXYLATE
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN, PUTATIVE

(Roseobacter
denitrificans) 		PF03480
(DctP) 		4 SER A 251
ASP A 254
ASP A 253
GLU A  28
 None
 0.92A 2j2pE-4pc9A:
undetectable
2j2pF-4pc9A:
undetectable		 2j2pE-4pc9A:
19.94
2j2pF-4pc9A:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 4 SER G  91
ASP G 109
ASP G 111
GLU G 282
 None
 0.39A 2j2pE-4r9jG:
41.1
2j2pF-4r9jG:
40.0		 2j2pE-4r9jG:
99.08
2j2pF-4r9jG:
99.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LEU A 151
SER A 148
ASP A  13
ASP A  15
 None
None
MN  A 501 (-2.0A)
MN  A 500 (-2.9A)
 0.97A 2j2pE-4rpaA:
undetectable
2j2pF-4rpaA:
undetectable		 2j2pE-4rpaA:
22.08
2j2pF-4rpaA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		4 SER A 587
LEU A 585
SER A 512
ASP A 506
 None
 1.08A 2j2pE-4tr2A:
undetectable
2j2pF-4tr2A:
undetectable		 2j2pE-4tr2A:
15.37
2j2pF-4tr2A:
15.37
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.
4uav HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN AT3G48420

(Arabidopsis
thaliana) 		PF13419
(HAD_2) 		4 LEU A 263
ASP A 258
ASP A  82
GLU A 284
 None
MG  A 401 (-2.6A)
MG  A 401 (-2.7A)
None
 1.23A 2j2pE-4uavA:
undetectable
2j2pF-4uavA:
undetectable		 2j2pE-4uavA:
20.90
2j2pF-4uavA:
20.90
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF13191
(AAA_16)
PF14629
(ORC4_C) 		4 SER D  60
SER D 297
ASP D 295
GLU A 833
 None
 0.99A 2j2pE-4xgcD:
undetectable
2j2pF-4xgcD:
undetectable		 2j2pE-4xgcD:
20.27
2j2pF-4xgcD:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 SER A 172
LEU A 173
ASP A 166
ASP A 168
 None
 1.19A 2j2pE-4xriA:
undetectable
2j2pF-4xriA:
undetectable		 2j2pE-4xriA:
12.50
2j2pF-4xriA:
12.50
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.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		4 LEU A 151
SER A 130
ASP A 169
GLU A 156
 None
None
AMP  A 301 (-3.5A)
AMP  A 301 ( 4.6A)
 1.23A 2j2pE-4yb6A:
undetectable
2j2pF-4yb6A:
undetectable		 2j2pE-4yb6A:
19.39
2j2pF-4yb6A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 LEU A 492
ASP A 159
ASP A 147
GLU A 158
 None
 1.19A 2j2pE-4yycA:
undetectable
2j2pF-4yycA:
undetectable		 2j2pE-4yycA:
17.07
2j2pF-4yycA:
17.07
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 SER b 113
LEU b 428
ASP b 111
GLU b 105
 None
 1.19A 2j2pE-5gw5b:
undetectable
2j2pF-5gw5b:
undetectable		 2j2pE-5gw5b:
19.22
2j2pF-5gw5b:
19.22
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 LEU A 315
ASP A 340
ASP A 310
GLU A 345
 None
 1.23A 2j2pE-5hm5A:
undetectable
2j2pF-5hm5A:
undetectable		 2j2pE-5hm5A:
13.12
2j2pF-5hm5A:
13.12
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.
5jcg THIOREDOXIN-DEPENDEN
T PEROXIDE
REDUCTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 SER A 101
LEU A 103
SER A  72
ASP A  42
 None
 1.21A 2j2pE-5jcgA:
undetectable
2j2pF-5jcgA:
undetectable		 2j2pE-5jcgA:
22.63
2j2pF-5jcgA:
22.63
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.
5jp3 XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		4 LEU A 413
SER A 411
ASP A 429
GLU A 458
 None
 1.19A 2j2pE-5jp3A:
undetectable
2j2pF-5jp3A:
undetectable		 2j2pE-5jp3A:
20.63
2j2pF-5jp3A:
20.63
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.
5kay SPELTER

(unidentified) 		PF00669
(Flagellin_N) 		4 LEU A 162
SER A  60
ASP A  57
ASP A  56
 None
 1.12A 2j2pE-5kayA:
undetectable
2j2pF-5kayA:
undetectable		 2j2pE-5kayA:
19.05
2j2pF-5kayA:
19.05
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		4 SER A 372
SER A 371
ASP A 296
ASP A 369
 None
 1.17A 2j2pE-5kteA:
undetectable
2j2pF-5kteA:
undetectable		 2j2pE-5kteA:
18.08
2j2pF-5kteA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		4 LEU A  13
SER A  26
ASP A  29
ASP A  28
 None
 1.03A 2j2pE-5lq4A:
undetectable
2j2pF-5lq4A:
undetectable		 2j2pE-5lq4A:
17.70
2j2pF-5lq4A:
17.70
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.
5mz9 -

(-) 		no annotation 4 LEU A 534
SER A 435
ASP A 441
GLU A 532
 None
 1.14A 2j2pE-5mz9A:
undetectable
2j2pF-5mz9A:
undetectable		 2j2pE-5mz9A:
undetectable
2j2pF-5mz9A:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 LEU A 972
SER A 891
ASP A 887
GLU A 988
 None
 1.12A 2j2pE-5ngyA:
undetectable
2j2pF-5ngyA:
undetectable		 2j2pE-5ngyA:
11.27
2j2pF-5ngyA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 SER A 290
SER A 139
ASP A  78
ASP A 288
 None
 1.22A 2j2pE-5nyyA:
undetectable
2j2pF-5nyyA:
undetectable		 2j2pE-5nyyA:
20.72
2j2pF-5nyyA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 SER A 175
LEU A 408
ASP A 413
GLU A 425
 None
 1.20A 2j2pE-5nz7A:
undetectable
2j2pF-5nz7A:
undetectable		 2j2pE-5nz7A:
12.96
2j2pF-5nz7A:
12.96
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.
5oe7 UBIQUITIN
THIOESTERASE OTULIN

(Homo sapiens) 		PF16218
(Peptidase_C101) 		4 SER A 266
LEU A 272
ASP A 264
GLU A 287
 None
 1.17A 2j2pE-5oe7A:
undetectable
2j2pF-5oe7A:
undetectable		 2j2pE-5oe7A:
21.75
2j2pF-5oe7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vwm UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		4 SER A 262
LEU A 266
ASP A 245
ASP A 241
 None
CL  A 403 (-4.5A)
None
ZN  A 402 ( 2.1A)
 1.12A 2j2pE-5vwmA:
undetectable
2j2pF-5vwmA:
undetectable		 2j2pE-5vwmA:
18.32
2j2pF-5vwmA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x3e KINESIN-LIKE PROTEIN

(Caenorhabditis
elegans) 		PF00225
(Kinesin) 		4 SER A  43
LEU A  44
ASP A 409
ASP A 408
 None
 1.18A 2j2pE-5x3eA:
undetectable
2j2pF-5x3eA:
undetectable		 2j2pE-5x3eA:
20.22
2j2pF-5x3eA:
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		4 SER A 256
LEU A 250
ASP A 206
ASP A 254
 None
 1.14A 2j2pE-5xgcA:
undetectable
2j2pF-5xgcA:
undetectable		 2j2pE-5xgcA:
18.79
2j2pF-5xgcA:
18.79
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 SER A2787
LEU A2784
SER A2789
ASP A2062
 None
 1.22A 2j2pE-6fb3A:
undetectable
2j2pF-6fb3A:
undetectable		 2j2pE-6fb3A:
15.31
2j2pF-6fb3A:
15.31