SIMILAR PATTERNS OF AMINO ACIDS FOR 2XCT_X_CPFX1020

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		4 ARG A  78
GLY A  82
GLU A  49
SER A 114
 None
 1.36A 2xctS-1cttA:
undetectable
2xctU-1cttA:
undetectable		 2xctS-1cttA:
16.88
2xctU-1cttA:
16.88
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.
1dbr HYPOXANTHINE GUANINE
XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		PF00156
(Pribosyltran) 		4 ARG A  15
GLY A  14
GLU A  17
SER A 169
 None
 1.42A 2xctS-1dbrA:
0.0
2xctU-1dbrA:
2.8		 2xctS-1dbrA:
14.63
2xctU-1dbrA:
14.63
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 ARG A 138
GLY A 137
GLU A 139
SER A 183
 None
 1.42A 2xctS-1ef7A:
undetectable
2xctU-1ef7A:
undetectable		 2xctS-1ef7A:
16.26
2xctU-1ef7A:
16.26
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		4 ARG A  53
GLY A  49
GLU A  39
SER A  72
 None
 1.36A 2xctS-1f2dA:
0.1
2xctU-1f2dA:
undetectable		 2xctS-1f2dA:
20.60
2xctU-1f2dA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		4 ARG A 727
GLY A 665
GLU A 664
SER A 698
 None
 1.23A 2xctS-1i9zA:
0.0
2xctU-1i9zA:
0.2		 2xctS-1i9zA:
18.61
2xctU-1i9zA:
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A  62
GLY A  58
GLU A  59
SER A 347
 None
 1.24A 2xctS-1jctA:
undetectable
2xctU-1jctA:
undetectable		 2xctS-1jctA:
19.80
2xctU-1jctA:
19.80
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.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		4 ARG A   8
GLY A  35
GLU A  37
SER A 321
 GLC  A 432 (-2.8A)
None
None
None
 1.38A 2xctS-1mpoA:
undetectable
2xctU-1mpoA:
undetectable		 2xctS-1mpoA:
20.51
2xctU-1mpoA:
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.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		4 ARG A  31
GLY A  25
GLU A  27
SER A 133
 None
 1.15A 2xctS-1o1jA:
undetectable
2xctU-1o1jA:
undetectable		 2xctS-1o1jA:
18.42
2xctU-1o1jA:
18.42
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.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		4 ARG A 173
GLY A 167
GLU A 169
SER A 275
 None
 1.12A 2xctS-1o1jA:
undetectable
2xctU-1o1jA:
undetectable		 2xctS-1o1jA:
18.42
2xctU-1o1jA:
18.42
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.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		4 ARG A 197
GLY A 239
GLU A 241
SER A 213
 None
None
None
SO4  A 301 (-2.7A)
 1.18A 2xctS-1t6kA:
undetectable
2xctU-1t6kA:
undetectable		 2xctS-1t6kA:
18.04
2xctU-1t6kA:
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.
1v9a UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 ARG A  92
GLY A  93
GLU A  95
SER A 115
 None
None
None
SAH  A 501 (-2.6A)
 0.77A 2xctS-1v9aA:
0.3
2xctU-1v9aA:
2.5		 2xctS-1v9aA:
17.32
2xctU-1v9aA:
17.32
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 ARG A 106
GLY A  61
GLU A  58
SER A  70
 PO4  A1002 (-3.7A)
None
PO4  A1002 (-0.7A)
None
 1.38A 2xctS-1vqvA:
undetectable
2xctU-1vqvA:
undetectable		 2xctS-1vqvA:
17.13
2xctU-1vqvA:
17.13
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ARG A  94
GLY A  79
GLU A  68
SER A 108
 None
 1.28A 2xctS-1w78A:
undetectable
2xctU-1w78A:
1.1		 2xctS-1w78A:
21.20
2xctU-1w78A:
21.20
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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ARG A 439
GLY A 440
GLU A 436
SER A 450
 None
 1.37A 2xctS-1wqlA:
undetectable
2xctU-1wqlA:
undetectable		 2xctS-1wqlA:
21.66
2xctU-1wqlA:
21.66
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 ARG A 343
GLY A 341
GLU A 340
SER A 257
 None
 1.36A 2xctS-1wytA:
undetectable
2xctU-1wytA:
undetectable		 2xctS-1wytA:
22.71
2xctU-1wytA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A 228
GLY A 238
GLU A 226
SER A 330
 None
 1.27A 2xctS-1xkwA:
undetectable
2xctU-1xkwA:
undetectable		 2xctS-1xkwA:
22.18
2xctU-1xkwA:
22.18
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.
1yrw PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		4 ARG A 138
GLY A 142
GLU A 192
SER A  81
 None
 0.84A 2xctS-1yrwA:
undetectable
2xctU-1yrwA:
undetectable		 2xctS-1yrwA:
17.43
2xctU-1yrwA:
17.43
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 ARG A 138
GLY A 142
GLU A 192
SER A  81
 None
 1.22A 2xctS-1z7eA:
1.9
2xctU-1z7eA:
2.2		 2xctS-1z7eA:
23.36
2xctU-1z7eA:
23.36
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.
1z82 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ARG A 109
GLY A 101
GLU A 173
SER A 291
 None
 1.32A 2xctS-1z82A:
undetectable
2xctU-1z82A:
1.8		 2xctS-1z82A:
19.11
2xctU-1z82A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z82 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ARG A 109
GLY A 107
GLU A 112
SER A 291
 None
 1.34A 2xctS-1z82A:
undetectable
2xctU-1z82A:
1.8		 2xctS-1z82A:
19.11
2xctU-1z82A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7h HEMOGLOBIN ALPHA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		4 ARG A  31
GLY A  25
GLU A  27
SER A 133
 None
None
None
HEM  A 200 ( 4.8A)
 1.09A 2xctS-2b7hA:
undetectable
2xctU-2b7hA:
undetectable		 2xctS-2b7hA:
12.86
2xctU-2b7hA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		4 ARG A 151
GLY A 183
GLU A 117
SER A 221
 None
 1.28A 2xctS-2bkxA:
undetectable
2xctU-2bkxA:
undetectable		 2xctS-2bkxA:
17.88
2xctU-2bkxA:
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.
2dsj PYRIMIDINE-NUCLEOSID
E (THYMIDINE)
PHOSPHORYLASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 ARG A  11
GLY A  13
GLU A  12
SER A 175
 None
 1.29A 2xctS-2dsjA:
0.9
2xctU-2dsjA:
undetectable		 2xctS-2dsjA:
23.35
2xctU-2dsjA:
23.35
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.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 101
GLY A  98
GLU A 117
SER A 156
 None
 1.24A 2xctS-2iwiA:
2.7
2xctU-2iwiA:
undetectable		 2xctS-2iwiA:
18.13
2xctU-2iwiA:
18.13
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.
2pfv EXOCYST COMPLEX
COMPONENT EXO70

(Saccharomyces
cerevisiae) 		PF03081
(Exo70) 		4 ARG A 503
GLY A 498
GLU A 499
SER A 490
 None
 1.43A 2xctS-2pfvA:
undetectable
2xctU-2pfvA:
undetectable		 2xctS-2pfvA:
23.87
2xctU-2pfvA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 ARG A  70
GLY A  69
GLU A  77
SER B 110
 None
 1.35A 2xctS-2pkaA:
undetectable
2xctU-2pkaA:
undetectable		 2xctS-2pkaA:
8.38
2xctU-2pkaA:
8.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 ARG A 172
GLY A 171
GLU A 170
SER A  82
 None
 1.23A 2xctS-2q0xA:
2.3
2xctU-2q0xA:
3.4		 2xctS-2q0xA:
19.32
2xctU-2q0xA:
19.32
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.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ARG A  99
GLY A 105
GLU A 176
SER A  43
 None
 1.29A 2xctS-2rcbA:
undetectable
2xctU-2rcbA:
undetectable		 2xctS-2rcbA:
18.37
2xctU-2rcbA:
18.37
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A1125
GLY A1116
GLU A 866
SER A 478
 None
 1.18A 2xctS-2vdcA:
2.7
2xctU-2vdcA:
undetectable		 2xctS-2vdcA:
19.48
2xctU-2vdcA:
19.48
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.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150

(Saccharomyces
cerevisiae) 		PF02854
(MIF4G) 		4 ARG E 847
GLY E 795
GLU E 799
SER E 786
 None
 1.33A 2xctS-2vsxE:
undetectable
2xctU-2vsxE:
undetectable		 2xctS-2vsxE:
17.81
2xctU-2vsxE:
17.81
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.
2vzw PROBABLE HISTIDINE
KINASE RESPONSE
REGULATOR

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		4 ARG A 130
GLY A 155
GLU A 184
SER A 140
 None
None
None
HEM  A1206 (-4.6A)
 0.84A 2xctS-2vzwA:
undetectable
2xctU-2vzwA:
undetectable		 2xctS-2vzwA:
14.16
2xctU-2vzwA:
14.16
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ARG A  73
GLY A  71
GLU A  44
SER A  27
 None
 1.35A 2xctS-2wskA:
undetectable
2xctU-2wskA:
undetectable		 2xctS-2wskA:
23.57
2xctU-2wskA:
23.57
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 ARG A  44
GLY A  43
GLU A  40
SER A 195
 None
 1.23A 2xctS-2x7qA:
undetectable
2xctU-2x7qA:
undetectable		 2xctS-2x7qA:
18.04
2xctU-2x7qA:
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ARG A 664
GLY A 696
GLU A 179
SER A 710
 PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
PGR  A1777 ( 3.5A)
 1.27A 2xctS-2xe4A:
2.5
2xctU-2xe4A:
undetectable		 2xctS-2xe4A:
22.58
2xctU-2xe4A:
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 ARG A 185
GLY A 183
GLU A 181
SER A 154
 BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
None
 1.10A 2xctS-2xh6A:
undetectable
2xctU-2xh6A:
undetectable		 2xctS-2xh6A:
18.12
2xctU-2xh6A:
18.12
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 255
GLY A 293
GLU A 319
SER A  51
 None
 1.41A 2xctS-2ynkA:
undetectable
2xctU-2ynkA:
undetectable		 2xctS-2ynkA:
20.82
2xctU-2ynkA:
20.82
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ARG A 113
GLY A 111
GLU A 154
SER A 667
 None
 1.21A 2xctS-3abzA:
undetectable
2xctU-3abzA:
undetectable		 2xctS-3abzA:
23.02
2xctU-3abzA:
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.
3asu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Escherichia
coli) 		PF00106
(adh_short) 		4 ARG A  18
GLY A  13
GLU A  14
SER A 220
 None
 1.40A 2xctS-3asuA:
2.5
2xctU-3asuA:
2.4		 2xctS-3asuA:
17.51
2xctU-3asuA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 ARG A 675
GLY A 609
GLU A 605
SER A 910
 None
 1.29A 2xctS-3bg9A:
undetectable
2xctU-3bg9A:
undetectable		 2xctS-3bg9A:
24.12
2xctU-3bg9A:
24.12
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ARG A 387
GLY A 171
GLU A 235
SER A 470
 None
 1.29A 2xctS-3bgaA:
undetectable
2xctU-3bgaA:
undetectable		 2xctS-3bgaA:
23.08
2xctU-3bgaA:
23.08
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		4 ARG H 312
GLY H 286
GLU H 305
SER H 349
 None
 1.37A 2xctS-3c75H:
undetectable
2xctU-3c75H:
undetectable		 2xctS-3c75H:
21.59
2xctU-3c75H:
21.59
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 ARG A 169
GLY A 167
GLU A 173
SER A 311
 FAD  A 622 (-3.6A)
None
None
None
 1.41A 2xctS-3cp8A:
undetectable
2xctU-3cp8A:
undetectable		 2xctS-3cp8A:
23.18
2xctU-3cp8A:
23.18
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		4 ARG A 146
GLY A 129
GLU A 130
SER A 209
 None
 1.25A 2xctS-3eqaA:
undetectable
2xctU-3eqaA:
undetectable		 2xctS-3eqaA:
20.23
2xctU-3eqaA:
20.23
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.
3fbu ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13302
(Acetyltransf_3) 		4 ARG A 141
GLY A 139
GLU A 168
SER A 131
 None
None
None
COA  A 169 (-3.2A)
 1.21A 2xctS-3fbuA:
undetectable
2xctU-3fbuA:
undetectable		 2xctS-3fbuA:
13.38
2xctU-3fbuA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdj HEMOGLOBIN SUBUNIT
ALPHA

(Camelus
dromedarius) 		PF00042
(Globin) 		4 ARG A  31
GLY A  25
GLU A  27
SER A 133
 None
 1.13A 2xctS-3gdjA:
undetectable
2xctU-3gdjA:
undetectable		 2xctS-3gdjA:
13.90
2xctU-3gdjA:
13.90
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		4 ARG A  99
GLY A 130
GLU A 132
SER A 154
 None
 0.95A 2xctS-3hdjA:
undetectable
2xctU-3hdjA:
undetectable		 2xctS-3hdjA:
18.06
2xctU-3hdjA:
18.06
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ARG B 525
GLY B 524
GLU B 482
SER B 320
 None
 1.38A 2xctS-3hkzB:
undetectable
2xctU-3hkzB:
undetectable		 2xctS-3hkzB:
21.32
2xctU-3hkzB:
21.32
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.
3hy8 PYRIDOXINE-5'-PHOSPH
ATE OXIDASE

(Homo sapiens) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 ARG A 116
GLY A 118
GLU A 120
SER A 172
 PO4  A 370 ( 3.7A)
None
None
None
 1.30A 2xctS-3hy8A:
undetectable
2xctU-3hy8A:
undetectable		 2xctS-3hy8A:
16.12
2xctU-3hy8A:
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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		4 ARG s 325
GLY s 395
GLU s 321
SER s 357
 None
 1.41A 2xctS-3j7ys:
undetectable
2xctU-3j7ys:
undetectable		 2xctS-3j7ys:
20.86
2xctU-3j7ys:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyj CHEY6 PROTEIN
PUTATIVE HISTIDINE
PROTEIN KINASE

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg)
PF01627
(Hpt) 		4 ARG A  58
GLY A  61
GLU A  66
SER B  20
 None
 1.37A 2xctS-3kyjA:
undetectable
2xctU-3kyjA:
undetectable		 2xctS-3kyjA:
11.85
2xctU-3kyjA:
11.85
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		4 ARG A 181
GLY A 190
GLU A 188
SER A 254
 None
None
None
HPX  A 406 ( 4.5A)
 1.24A 2xctS-3lm4A:
undetectable
2xctU-3lm4A:
undetectable		 2xctS-3lm4A:
20.43
2xctU-3lm4A:
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 ARG A 115
GLY A 139
GLU A  32
SER A 120
 GOL  A 233 (-3.8A)
None
None
SO4  A 228 (-2.5A)
 1.37A 2xctS-3m33A:
undetectable
2xctU-3m33A:
undetectable		 2xctS-3m33A:
16.42
2xctU-3m33A:
16.42
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.
3m7k RESTRICTION
ENDONUCLEASE PACI

(Pseudomonas
alcaligenes) 		no annotation 4 ARG A  61
GLY A  90
GLU A  70
SER A  34
 None
 1.26A 2xctS-3m7kA:
undetectable
2xctU-3m7kA:
undetectable		 2xctS-3m7kA:
11.90
2xctU-3m7kA:
11.90
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ARG A 337
GLY A 375
GLU A 347
SER A 385
 None
 1.20A 2xctS-3mruA:
2.1
2xctU-3mruA:
2.3		 2xctS-3mruA:
21.53
2xctU-3mruA:
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		4 ARG A  64
GLY A  66
GLU A  68
SER A  78
 None
 1.27A 2xctS-3mt1A:
undetectable
2xctU-3mt1A:
undetectable		 2xctS-3mt1A:
20.89
2xctU-3mt1A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		4 ARG A 294
GLY A 158
GLU A 380
SER A 300
 None
 1.39A 2xctS-3qkiA:
undetectable
2xctU-3qkiA:
undetectable		 2xctS-3qkiA:
21.53
2xctU-3qkiA:
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.
3qp4 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF03472
(Autoind_bind) 		4 ARG A 159
GLY A 138
GLU A 112
SER A  79
 None
 1.23A 2xctS-3qp4A:
undetectable
2xctU-3qp4A:
undetectable		 2xctS-3qp4A:
15.12
2xctU-3qp4A:
15.12
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 230
GLY A 233
GLU A 235
SER A 138
 None
 1.40A 2xctS-3s9vA:
undetectable
2xctU-3s9vA:
undetectable		 2xctS-3s9vA:
24.15
2xctU-3s9vA:
24.15
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.
3sz7 HSC70 COCHAPERONE
(SGT)

(Aspergillus
fumigatus) 		PF13181
(TPR_8)
PF13414
(TPR_11) 		4 ARG A 222
GLY A 223
GLU A 225
SER A 182
 None
 1.43A 2xctS-3sz7A:
undetectable
2xctU-3sz7A:
undetectable		 2xctS-3sz7A:
13.27
2xctU-3sz7A:
13.27
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		4 ARG A 131
GLY A 132
GLU A 135
SER A 151
 None
 1.36A 2xctS-3t7sA:
undetectable
2xctU-3t7sA:
undetectable		 2xctS-3t7sA:
17.73
2xctU-3t7sA:
17.73
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.
3urr PTS IIA-LIKE
NITROGEN-REGULATORY
PROTEIN PTSN

(Burkholderia
thailandensis) 		PF00359
(PTS_EIIA_2) 		4 ARG A  41
GLY A  30
GLU A  34
SER A  21
 None
 1.36A 2xctS-3urrA:
undetectable
2xctU-3urrA:
undetectable		 2xctS-3urrA:
14.42
2xctU-3urrA:
14.42
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 ARG A  67
GLY A 443
GLU A 441
SER A  26
 None
 1.34A 2xctS-3zyxA:
undetectable
2xctU-3zyxA:
undetectable		 2xctS-3zyxA:
21.81
2xctU-3zyxA:
21.81
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		4 ARG A  82
GLY A  85
GLU A  83
SER A   9
 None
 1.08A 2xctS-4a3sA:
undetectable
2xctU-4a3sA:
undetectable		 2xctS-4a3sA:
19.91
2xctU-4a3sA:
19.91
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		4 ARG A 164
GLY A 165
GLU A 150
SER A 476
 None
 1.40A 2xctS-4at0A:
undetectable
2xctU-4at0A:
undetectable		 2xctS-4at0A:
22.77
2xctU-4at0A:
22.77
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.
4dag FUSION GLYCOPROTEIN
F0
NEUTRALIZING
ANTIBODY DS7 HEAVY
CHAIN

(Homo sapiens;
Human
metapneumovirus) 		PF00523
(Fusion_gly)
PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H 101
GLY H 104
GLU A  33
SER H  31
 None
 1.31A 2xctS-4dagH:
undetectable
2xctU-4dagH:
2.3		 2xctS-4dagH:
15.37
2xctU-4dagH:
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A  44
GLY A  43
GLU A  41
SER A  98
 None
 1.43A 2xctS-4fquA:
undetectable
2xctU-4fquA:
undetectable		 2xctS-4fquA:
21.31
2xctU-4fquA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 ARG A  58
GLY A  54
GLU A  55
SER A 343
 None
 1.21A 2xctS-4g8tA:
undetectable
2xctU-4g8tA:
undetectable		 2xctS-4g8tA:
21.57
2xctU-4g8tA:
21.57
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		4 ARG A  31
GLY A  25
GLU A  27
SER A 133
 None
 1.15A 2xctS-4h2lA:
undetectable
2xctU-4h2lA:
undetectable		 2xctS-4h2lA:
12.39
2xctU-4h2lA:
12.39
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		4 ARG A 257
GLY A 517
GLU A 254
SER A  49
 None
None
None
FAD  A 601 (-4.3A)
 1.39A 2xctS-4iv9A:
undetectable
2xctU-4iv9A:
undetectable		 2xctS-4iv9A:
22.77
2xctU-4iv9A:
22.77
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 ARG A 223
GLY A 222
GLU A 219
SER A 233
 ARG  A 223 ( 0.6A)
GLY  A 222 ( 0.0A)
GLU  A 219 ( 0.6A)
SER  A 233 ( 0.0A)
 1.41A 2xctS-4kqnA:
undetectable
2xctU-4kqnA:
undetectable		 2xctS-4kqnA:
20.86
2xctU-4kqnA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG H 168
GLY H 171
GLU H 174
SER H 134
 None
 1.29A 2xctS-4nl4H:
3.4
2xctU-4nl4H:
3.7		 2xctS-4nl4H:
23.48
2xctU-4nl4H:
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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		4 ARG A 344
GLY A 358
GLU A 360
SER A 221
 None
 1.37A 2xctS-4nzpA:
undetectable
2xctU-4nzpA:
undetectable		 2xctS-4nzpA:
21.81
2xctU-4nzpA:
21.81
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		4 ARG A 469
GLY A 489
GLU A 487
SER A 519
 None
 1.42A 2xctS-4p05A:
undetectable
2xctU-4p05A:
undetectable		 2xctS-4p05A:
22.86
2xctU-4p05A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 ARG A 185
GLY A 183
GLU A 181
SER A 154
 None
 1.03A 2xctS-4p5hA:
undetectable
2xctU-4p5hA:
undetectable		 2xctS-4p5hA:
17.68
2xctU-4p5hA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rj9 C2 DOMAIN-CONTAINING
PROTEIN-LIKE

(Oryza sativa) 		PF00168
(C2) 		4 ARG A  15
GLY A  16
GLU A 151
SER A  26
 None
 1.37A 2xctS-4rj9A:
undetectable
2xctU-4rj9A:
undetectable		 2xctS-4rj9A:
15.23
2xctU-4rj9A:
15.23
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 4 ARG A  93
GLY A  94
GLU A  63
SER A 107
 None
 1.27A 2xctS-4rkmA:
undetectable
2xctU-4rkmA:
undetectable		 2xctS-4rkmA:
21.20
2xctU-4rkmA:
21.20
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 ARG A2388
GLY A2593
GLU A2628
SER A2406
 None
 1.40A 2xctS-4tvcA:
undetectable
2xctU-4tvcA:
undetectable		 2xctS-4tvcA:
20.75
2xctU-4tvcA:
20.75
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ARG A 107
GLY A 110
GLU A 111
SER A 615
 None
 1.08A 2xctS-4xhbA:
undetectable
2xctU-4xhbA:
undetectable		 2xctS-4xhbA:
23.93
2xctU-4xhbA:
23.93
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 149
GLY A 148
GLU A 204
SER A 551
 BGC  A 802 (-2.7A)
None
None
None
 1.15A 2xctS-4zo6A:
3.9
2xctU-4zo6A:
undetectable		 2xctS-4zo6A:
23.72
2xctU-4zo6A:
23.72
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.
4zqv CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		PF07262
(CdiI) 		4 ARG A 133
GLY A 132
GLU A 125
SER A 138
 None
 1.00A 2xctS-4zqvA:
undetectable
2xctU-4zqvA:
undetectable		 2xctS-4zqvA:
13.29
2xctU-4zqvA:
13.29
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ARG A 439
GLY A 440
GLU A 436
SER A 450
 None
 1.35A 2xctS-5aewA:
undetectable
2xctU-5aewA:
undetectable		 2xctS-5aewA:
20.92
2xctU-5aewA:
20.92
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.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		4 ARG A 490
GLY A 486
GLU A 488
SER A 494
 None
 1.43A 2xctS-5ao5A:
undetectable
2xctU-5ao5A:
undetectable		 2xctS-5ao5A:
21.07
2xctU-5ao5A:
21.07
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ARG A 299
GLY A 302
GLU A 518
SER A 332
 None
 1.17A 2xctS-5bnzA:
undetectable
2xctU-5bnzA:
undetectable		 2xctS-5bnzA:
23.21
2xctU-5bnzA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 ARG A 248
GLY A 396
GLU A 252
SER A 208
 None
 1.11A 2xctS-5c65A:
undetectable
2xctU-5c65A:
undetectable		 2xctS-5c65A:
20.58
2xctU-5c65A:
20.58
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 ARG A 433
GLY A 436
GLU A 434
SER A 280
 None
 1.14A 2xctS-5d9aA:
undetectable
2xctU-5d9aA:
undetectable		 2xctS-5d9aA:
22.57
2xctU-5d9aA:
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 ARG A 471
GLY A 535
GLU A 138
SER A 509
 None
 1.38A 2xctS-5df0A:
undetectable
2xctU-5df0A:
undetectable		 2xctS-5df0A:
20.79
2xctU-5df0A:
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.
5igp MACROLIDE
2'-PHOSPHOTRANSFERAS
E

(Escherichia
coli) 		PF01636
(APH) 		4 ARG A  37
GLY A  33
GLU A  31
SER A 221
 None
None
None
GDP  A 401 ( 4.7A)
 1.20A 2xctS-5igpA:
undetectable
2xctU-5igpA:
undetectable		 2xctS-5igpA:
19.85
2xctU-5igpA:
19.85
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		4 ARG B 831
GLY B 924
GLU B 832
SER B 928
 None
 1.27A 2xctS-5jpnB:
undetectable
2xctU-5jpnB:
undetectable		 2xctS-5jpnB:
22.02
2xctU-5jpnB:
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		4 ARG A 337
GLY A 336
GLU A 277
SER A 322
 None
 1.11A 2xctS-5kkbA:
undetectable
2xctU-5kkbA:
undetectable		 2xctS-5kkbA:
21.78
2xctU-5kkbA:
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 ARG A  31
GLY A  27
GLU A  28
SER A 162
 None
 1.05A 2xctS-5mu5A:
undetectable
2xctU-5mu5A:
undetectable		 2xctS-5mu5A:
23.72
2xctU-5mu5A:
23.72
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 ARG B 290
GLY B 287
GLU B 286
SER B 333
 None
 1.43A 2xctS-5oetB:
undetectable
2xctU-5oetB:
undetectable		 2xctS-5oetB:
9.41
2xctU-5oetB:
9.41
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.
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 368
GLY A 367
GLU A 216
SER A 408
 None
None
BEF  A1001 ( 4.0A)
None
 1.23A 2xctS-5supA:
undetectable
2xctU-5supA:
undetectable		 2xctS-5supA:
21.41
2xctU-5supA:
21.41
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1
DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF16679
(CDT1_C)
PF17207
(MCM_OB) 		4 ARG 6 161
GLY 6 164
GLU 6 162
SER 8 592
 None
 1.38A 2xctS-5udb6:
undetectable
2xctU-5udb6:
undetectable		 2xctS-5udb6:
23.21
2xctU-5udb6:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wog HEMOGLOBIN SUBUNIT
ALPHA

(Homo sapiens) 		no annotation 4 ARG A  31
GLY A  25
GLU A  27
SER A 133
 None
 1.16A 2xctS-5wogA:
undetectable
2xctU-5wogA:
undetectable		 2xctS-5wogA:
9.02
2xctU-5wogA:
9.02
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 ARG A 328
GLY A 379
GLU A 381
SER A 368
 None
 1.31A 2xctS-5xb7A:
1.3
2xctU-5xb7A:
undetectable		 2xctS-5xb7A:
23.85
2xctU-5xb7A:
23.85
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.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 4 ARG A  82
GLY A  78
GLU A  77
SER A 221
 None
ANP  A1000 (-3.3A)
None
None
 1.13A 2xctS-5xd6A:
3.0
2xctU-5xd6A:
2.8		 2xctS-5xd6A:
8.36
2xctU-5xd6A:
8.36
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		4 ARG A 600
GLY A 603
GLU A 724
SER A 589
 None
 1.33A 2xctS-5xmcA:
undetectable
2xctU-5xmcA:
undetectable		 2xctS-5xmcA:
21.59
2xctU-5xmcA:
21.59
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 ARG A 370
GLY A 163
GLU A 160
SER A 378
 None
 1.33A 2xctS-5yl7A:
undetectable
2xctU-5yl7A:
0.9		 2xctS-5yl7A:
8.39
2xctU-5yl7A:
8.39
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 ARG A 156
GLY A 139
GLU A 140
SER A 219
 None
 1.31A 2xctS-6fhvA:
undetectable
2xctU-6fhvA:
undetectable		 2xctS-6fhvA:
8.50
2xctU-6fhvA:
8.50
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 ARG A 146
GLY A 129
GLU A 130
SER A 209
 None
 1.28A 2xctS-6frvA:
undetectable
2xctU-6frvA:
undetectable		 2xctS-6frvA:
9.47
2xctU-6frvA:
9.47