SIMILAR PATTERNS OF AMINO ACIDS FOR 1CEA_A_ACAA90_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a0h MEIZOTHROMBIN

(Bos taurus) 		PF00051
(Kringle)
PF09396
(Thrombin_light) 		4 ASP A 223
ASP A 225
TRP A 230
TYR A 232
 None
 0.51A 1ceaA-1a0hA:
9.1
1ceaB-1a0hA:
9.0		 1ceaA-1a0hA:
31.86
1ceaB-1a0hA:
31.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i71 APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  54
TRP A  60
TYR A  62
ARG A  69
 None
None
SO4  A 300 (-4.7A)
SO4  A 300 (-3.8A)
 1.01A 1ceaA-1i71A:
15.8
1ceaB-1i71A:
15.5		 1ceaA-1i71A:
44.32
1ceaB-1i71A:
44.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kiv APOLIPOPROTEIN A

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
ASP A  57
TRP A  62
ARG A  71
 None
 0.66A 1ceaA-1kivA:
15.8
1ceaB-1kivA:
15.6		 1ceaA-1kivA:
54.43
1ceaB-1kivA:
54.43
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 ASP A 155
ASP A 456
TRP A 457
TYR A 129
 None
 1.20A 1ceaA-1l1lA:
0.0
1ceaB-1l1lA:
0.0		 1ceaA-1l1lA:
8.87
1ceaB-1l1lA:
8.87
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		4 ASP A 103
TYR A 134
ARG A 140
TYR A 138
 None
 1.43A 1ceaA-1m9iA:
0.0
1ceaB-1m9iA:
undetectable		 1ceaA-1m9iA:
6.84
1ceaB-1m9iA:
6.84
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.
1mi5 TCR ALPHA CHAIN
TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 ASP D 143
ASP D 122
TYR D 126
THR E 141
 None
 1.22A 1ceaA-1mi5D:
0.0
1ceaB-1mi5D:
0.0		 1ceaA-1mi5D:
15.92
1ceaB-1mi5D:
15.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pkr PLASMINOGEN

(Homo sapiens) 		PF00051
(Kringle) 		6 ASP A  55
ASP A  57
TRP A  62
TYR A  64
ARG A  71
TYR A  72
 CL  A  91 ( 4.7A)
None
None
None
CL  A  90 (-3.6A)
None
 0.59A 1ceaA-1pkrA:
18.1
1ceaB-1pkrA:
18.2		 1ceaA-1pkrA:
98.78
1ceaB-1pkrA:
98.78
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 ASP A 238
ASP A 172
TRP A 170
ARG A 181
 None
 1.25A 1ceaA-1pznA:
undetectable
1ceaB-1pznA:
undetectable		 1ceaA-1pznA:
11.71
1ceaB-1pznA:
11.71
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		4 ASP A   9
TYR A 146
ARG A 155
THR A  45
 NA  A 241 (-3.6A)
None
None
None
 1.11A 1ceaA-1u02A:
undetectable
1ceaB-1u02A:
undetectable		 1ceaA-1u02A:
15.90
1ceaB-1u02A:
15.90
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.
1u7p MAGNESIUM-DEPENDENT
PHOSPHATASE-1

(Mus musculus) 		PF12689
(Acid_PPase) 		4 ASP A  13
TRP A  17
ARG A  93
THR A  71
 WO4  A 505 ( 3.9A)
None
None
WO4  A 505 (-4.8A)
 1.39A 1ceaA-1u7pA:
undetectable
1ceaB-1u7pA:
undetectable		 1ceaA-1u7pA:
15.34
1ceaB-1u7pA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 145
ASP A 148
TYR A  24
THR A 151
 None
 1.45A 1ceaA-1ub7A:
undetectable
1ceaB-1ub7A:
undetectable		 1ceaA-1ub7A:
11.67
1ceaB-1ub7A:
11.67
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.
1uvf SERINE PROTEINASE
INHIBITOR KAZAL TYPE
5

(Homo sapiens) 		PF00050
(Kazal_1) 		4 ASP A  28
ASP A  29
TYR A  33
THR A  50
 None
 1.41A 1ceaA-1uvfA:
undetectable
1ceaB-1uvfA:
undetectable		 1ceaA-1uvfA:
18.82
1ceaB-1uvfA:
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.
1zsq MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		4 ASP A 510
ASP A 157
TYR A 110
ARG A 111
 None
 1.17A 1ceaA-1zsqA:
undetectable
1ceaB-1zsqA:
undetectable		 1ceaA-1zsqA:
8.80
1ceaB-1zsqA:
8.80
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.
1zyl HYPOTHETICAL PROTEIN
YIHE

(Escherichia
coli) 		PF01636
(APH) 		4 ASP A 220
ASP A 219
TRP A  62
ARG A 283
 None
 1.16A 1ceaA-1zylA:
undetectable
1ceaB-1zylA:
undetectable		 1ceaA-1zylA:
11.65
1ceaB-1zylA:
11.65
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ASP A 219
ARG A 151
TYR A 149
THR A  96
 None
 1.45A 1ceaA-2csdA:
undetectable
1ceaB-2csdA:
undetectable		 1ceaA-2csdA:
12.82
1ceaB-2csdA:
12.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 6 ASP X 137
ASP X 139
TRP X 144
TYR X 146
ARG X 153
TYR X 154
 None
 0.57A 1ceaA-2doiX:
undetectable
1ceaB-2doiX:
17.2		 1ceaA-2doiX:
100.00
1ceaB-2doiX:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hpp PROTHROMBIN

(Bos taurus) 		PF00051
(Kringle) 		4 ASP P 354
ASP P 356
TRP P 361
TYR P 363
 None
 0.84A 1ceaA-2hppP:
undetectable
1ceaB-2hppP:
undetectable		 1ceaA-2hppP:
36.71
1ceaB-2hppP:
36.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hpq PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP P 354
ASP P 356
TRP P 361
TYR P 363
 None
 0.78A 1ceaA-2hpqP:
undetectable
1ceaB-2hpqP:
undetectable		 1ceaA-2hpqP:
35.71
1ceaB-2hpqP:
35.71
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 127
ASP A 145
ARG A  50
THR A  14
 None
None
TPO  A 160 ( 2.8A)
None
 1.35A 1ceaA-2jgzA:
undetectable
1ceaB-2jgzA:
undetectable		 1ceaA-2jgzA:
13.03
1ceaB-2jgzA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		4 ASP A 206
ASP A 203
TYR A 356
THR A 384
 None
 1.37A 1ceaA-2pefA:
undetectable
1ceaB-2pefA:
undetectable		 1ceaA-2pefA:
13.02
1ceaB-2pefA:
13.02
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ASP A 357
ASP A 209
TYR A 319
THR A 225
 None
 1.47A 1ceaA-2ph5A:
undetectable
1ceaB-2ph5A:
undetectable		 1ceaA-2ph5A:
11.63
1ceaB-2ph5A:
11.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pk4 HUMAN PLASMINOGEN
KRINGLE 4

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
ASP A  57
TRP A  62
ARG A  71
 ACA  A 100 ( 2.6A)
ACA  A 100 ( 3.7A)
ACA  A 100 ( 3.6A)
ACA  A 100 ( 3.6A)
 0.53A 1ceaA-2pk4A:
undetectable
1ceaB-2pk4A:
15.9		 1ceaA-2pk4A:
51.22
1ceaB-2pk4A:
51.22
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.
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 ASP A 318
TYR A 233
ARG A 237
THR A 288
 None
 1.43A 1ceaA-2q8hA:
undetectable
1ceaB-2q8hA:
undetectable		 1ceaA-2q8hA:
11.19
1ceaB-2q8hA:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii) 		no annotation 4 ASP A 151
TRP A 155
TYR A 176
THR A 168
 ASP  A 151 ( 0.6A)
TRP  A 155 ( 0.5A)
TYR  A 176 ( 1.3A)
THR  A 168 ( 0.8A)
 1.07A 1ceaA-2qc5A:
undetectable
1ceaB-2qc5A:
undetectable		 1ceaA-2qc5A:
13.82
1ceaB-2qc5A:
13.82
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.
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii) 		no annotation 4 ASP A 193
TRP A 197
TYR A 218
THR A 210
 ASP  A 193 ( 0.6A)
TRP  A 197 ( 0.5A)
TYR  A 218 ( 1.3A)
THR  A 210 ( 0.8A)
 1.13A 1ceaA-2qc5A:
undetectable
1ceaB-2qc5A:
undetectable		 1ceaA-2qc5A:
13.82
1ceaB-2qc5A:
13.82
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A 563
ARG A 558
TYR A 821
THR A1009
 None
 1.48A 1ceaA-2qf7A:
undetectable
1ceaB-2qf7A:
undetectable		 1ceaA-2qf7A:
5.56
1ceaB-2qf7A:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 206
TYR A 278
ARG A 320
THR A 283
 None
 1.48A 1ceaA-2qquA:
undetectable
1ceaB-2qquA:
undetectable		 1ceaA-2qquA:
9.40
1ceaB-2qquA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 206
TYR A 278
TYR A 273
THR A 283
 None
 1.34A 1ceaA-2qquA:
undetectable
1ceaB-2qquA:
undetectable		 1ceaA-2qquA:
9.40
1ceaB-2qquA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 ASP A 525
TRP A 488
TYR A 413
THR A 503
 None
 1.49A 1ceaA-2rdyA:
undetectable
1ceaB-2rdyA:
undetectable		 1ceaA-2rdyA:
6.97
1ceaB-2rdyA:
6.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2spt PROTHROMBIN

(Bos taurus) 		PF00051
(Kringle)
PF00594
(Gla) 		4 ASP A 119
TRP A 126
TYR A 128
ARG A 135
 None
 0.78A 1ceaA-2sptA:
undetectable
1ceaB-2sptA:
16.9		 1ceaA-2sptA:
37.93
1ceaB-2sptA:
37.93
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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ASP A 483
TRP A 439
TYR A 469
ARG A 480
 None
None
None
PEG  A1777 (-3.0A)
 1.39A 1ceaA-2wdaA:
undetectable
1ceaB-2wdaA:
undetectable		 1ceaA-2wdaA:
7.49
1ceaB-2wdaA:
7.49
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 ASP A 601
TRP A1002
TYR A 624
ARG A1018
 None
 1.45A 1ceaA-2ya1A:
undetectable
1ceaB-2ya1A:
undetectable		 1ceaA-2ya1A:
6.61
1ceaB-2ya1A:
6.61
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ASP A 146
TRP A 547
TYR A 169
ARG A 563
 None
 1.43A 1ceaA-2ya2A:
undetectable
1ceaB-2ya2A:
undetectable		 1ceaA-2ya2A:
8.33
1ceaB-2ya2A:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		4 ASP A 511
ASP A 512
TYR A  38
ARG A  35
 None
None
None
DG3  A 576 (-3.6A)
 1.48A 1ceaA-3auoA:
undetectable
1ceaB-3auoA:
undetectable		 1ceaA-3auoA:
9.89
1ceaB-3auoA:
9.89
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.
3ax1 SERRATE RNA EFFECTOR
MOLECULE

(Arabidopsis
thaliana) 		PF04959
(ARS2)
PF12066
(DUF3546) 		4 ASP A 452
TYR A 419
ARG A 434
THR A 341
 None
 1.35A 1ceaA-3ax1A:
undetectable
1ceaB-3ax1A:
undetectable		 1ceaA-3ax1A:
12.43
1ceaB-3ax1A:
12.43
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.
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 ASP A 794
ASP A 797
TYR A 898
ARG A 901
 None
 1.26A 1ceaA-3bgaA:
undetectable
1ceaB-3bgaA:
undetectable		 1ceaA-3bgaA:
5.35
1ceaB-3bgaA:
5.35
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.
3c60 TCR YAE62 ALPHA
CHAIN
TCR YAE62 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 ASP A 138
ASP A 117
TYR A 121
THR B 134
 None
 1.29A 1ceaA-3c60A:
undetectable
1ceaB-3c60A:
undetectable		 1ceaA-3c60A:
17.02
1ceaB-3c60A:
17.02
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.
3dec 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 ASP A 770
ASP A 773
TYR A 874
ARG A 877
 None
 1.34A 1ceaA-3decA:
undetectable
1ceaB-3decA:
undetectable		 1ceaA-3decA:
6.11
1ceaB-3decA:
6.11
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.
3e6p PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF09396
(Thrombin_light) 		4 ASP L 223
ASP L 225
TRP L 230
TYR L 232
 None
 0.29A 1ceaA-3e6pL:
undetectable
1ceaB-3e6pL:
undetectable		 1ceaA-3e6pL:
22.70
1ceaB-3e6pL:
22.70
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A 586
ARG A 581
TYR A 845
THR A1035
 None
 1.46A 1ceaA-3ho8A:
undetectable
1ceaB-3ho8A:
undetectable		 1ceaA-3ho8A:
6.25
1ceaB-3ho8A:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0z PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Streptococcus
pneumoniae) 		PF01380
(SIS) 		4 ASP A 297
TYR A 346
ARG A 342
THR A 293
 None
 0.98A 1ceaA-3i0zA:
undetectable
1ceaB-3i0zA:
undetectable		 1ceaA-3i0zA:
11.05
1ceaB-3i0zA:
11.05
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.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 143
ASP A 199
TYR A 380
THR A 375
 ZN  A 411 ( 4.6A)
ZN  A 411 (-1.9A)
None
None
 1.48A 1ceaA-3ifeA:
undetectable
1ceaB-3ifeA:
undetectable		 1ceaA-3ifeA:
12.36
1ceaB-3ifeA:
12.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k65 PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A 223
ASP A 225
TRP A 230
TYR A 232
 None
 0.34A 1ceaA-3k65A:
undetectable
1ceaB-3k65A:
undetectable		 1ceaA-3k65A:
31.58
1ceaB-3k65A:
31.58
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 TYR A 240
ARG A 227
TYR A 226
THR A 177
 4AD  A 500 ( 3.5A)
4AD  A 500 (-3.1A)
None
None
 1.40A 1ceaA-3m4pA:
undetectable
1ceaB-3m4pA:
undetectable		 1ceaA-3m4pA:
12.44
1ceaB-3m4pA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		4 ASP A 219
ARG A 151
TYR A 149
THR A  96
 None
 1.39A 1ceaA-3m7dA:
undetectable
1ceaB-3m7dA:
undetectable		 1ceaA-3m7dA:
13.48
1ceaB-3m7dA:
13.48
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.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 ASP A 219
ARG A 151
TYR A 149
THR A  96
 None
 1.39A 1ceaA-3m7gA:
undetectable
1ceaB-3m7gA:
undetectable		 1ceaA-3m7gA:
17.05
1ceaB-3m7gA:
17.05
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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 ASP A 223
ASP A 225
TRP A 230
TYR A 232
 None
 0.43A 1ceaA-3nxpA:
undetectable
1ceaB-3nxpA:
undetectable		 1ceaA-3nxpA:
11.00
1ceaB-3nxpA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t9o DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli) 		no annotation 4 ASP A  65
ASP A  67
TYR A 120
TYR A 123
 None
 1.18A 1ceaA-3t9oA:
undetectable
1ceaB-3t9oA:
undetectable		 1ceaA-3t9oA:
17.91
1ceaB-3t9oA:
17.91
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 214
TYR A 283
ARG A 325
TYR A 278
THR A 288
 None
 1.38A 1ceaA-3uggA:
undetectable
1ceaB-3uggA:
undetectable		 1ceaA-3uggA:
10.38
1ceaB-3uggA:
10.38
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		4 ASP A 242
ASP A 213
TYR A 323
THR A 259
 BDP  A 331 (-2.7A)
None
None
None
 1.43A 1ceaA-3uugA:
undetectable
1ceaB-3uugA:
undetectable		 1ceaA-3uugA:
10.89
1ceaB-3uugA:
10.89
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 303
ASP A 342
TYR A 900
THR A 344
 None
 1.44A 1ceaA-3v8xA:
undetectable
1ceaB-3v8xA:
undetectable		 1ceaA-3v8xA:
6.53
1ceaB-3v8xA:
6.53
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 TYR E 313
ARG E 227
TYR E 333
THR E 261
 None
 1.30A 1ceaA-3winE:
undetectable
1ceaB-3winE:
undetectable		 1ceaA-3winE:
10.29
1ceaB-3winE:
10.29
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 ASP A 349
TYR A 336
ARG A 289
THR A 351
 None
 1.40A 1ceaA-4ayrA:
undetectable
1ceaB-4ayrA:
undetectable		 1ceaA-4ayrA:
12.81
1ceaB-4ayrA:
12.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bvv APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
ASP A  57
TRP A  62
TYR A  64
 CPF  A1081 (-3.1A)
CPF  A1081 (-3.9A)
CPF  A1081 (-3.6A)
CPF  A1081 (-4.8A)
 0.42A 1ceaA-4bvvA:
undetectable
1ceaB-4bvvA:
16.7		 1ceaA-4bvvA:
53.01
1ceaB-4bvvA:
53.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bvw APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  54
TRP A  60
TYR A  62
ARG A  69
 HKY  A1080 (-3.0A)
HKY  A1080 (-3.6A)
HKY  A1080 (-4.6A)
HKY  A1080 (-3.5A)
 0.53A 1ceaA-4bvwA:
undetectable
1ceaB-4bvwA:
16.0		 1ceaA-4bvwA:
44.94
1ceaB-4bvwA:
44.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		5 ASP A 137
ASP A 139
TRP A 144
TYR A 146
TYR A 154
 None
 0.71A 1ceaA-4duuA:
undetectable
1ceaB-4duuA:
15.2		 1ceaA-4duuA:
100.00
1ceaB-4duuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		5 ASP A 516
ASP A 518
TRP A 523
TYR A 525
TYR A 533
 None
 0.71A 1ceaA-4duuA:
undetectable
1ceaB-4duuA:
15.2		 1ceaA-4duuA:
100.00
1ceaB-4duuA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eiu UNCHARACTERIZED
HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF12866
(DUF3823) 		4 ASP A 186
TRP A 260
TYR A 199
ARG A 202
 None
None
PEG  A 305 ( 4.5A)
None
 1.15A 1ceaA-4eiuA:
undetectable
1ceaB-4eiuA:
undetectable		 1ceaA-4eiuA:
14.46
1ceaB-4eiuA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ASP A 219
ARG A 151
TYR A 149
THR A  96
 None
 1.42A 1ceaA-4gfjA:
undetectable
1ceaB-4gfjA:
undetectable		 1ceaA-4gfjA:
8.05
1ceaB-4gfjA:
8.05
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.
4h54 DIGUANYLATE CYCLASE
YDEH

(Escherichia
coli) 		PF00990
(GGDEF) 		4 ASP A  65
ASP A  67
TYR A 120
TYR A 123
 None
 1.16A 1ceaA-4h54A:
undetectable
1ceaB-4h54A:
undetectable		 1ceaA-4h54A:
12.29
1ceaB-4h54A:
12.29
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 ASP A 223
ASP A 225
TRP A 230
TYR A 232
 None
 0.39A 1ceaA-4hzhA:
undetectable
1ceaB-4hzhA:
undetectable		 1ceaA-4hzhA:
10.67
1ceaB-4hzhA:
10.67
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.
4inq OXYSTEROL-BINDING
PROTEIN HOMOLOG 3

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 ASP A 919
ARG A 983
TYR A 980
THR A 726
 None
 1.33A 1ceaA-4inqA:
undetectable
1ceaB-4inqA:
undetectable		 1ceaA-4inqA:
10.35
1ceaB-4inqA:
10.35
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		4 ASP A 389
ASP A 391
TYR A 441
THR A 394
 GOL  A 506 (-4.6A)
None
None
None
 1.45A 1ceaA-4oetA:
undetectable
1ceaB-4oetA:
undetectable		 1ceaA-4oetA:
9.84
1ceaB-4oetA:
9.84
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ASP A 177
ASP A 175
TYR A 336
THR A 132
 HIS  A1001 (-3.2A)
HIS  A1001 (-3.9A)
None
HIS  A1001 (-3.6A)
 1.10A 1ceaA-4phcA:
undetectable
1ceaB-4phcA:
undetectable		 1ceaA-4phcA:
10.14
1ceaB-4phcA:
10.14
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		4 ASP A 651
ASP A 648
ARG A 622
THR A 625
 None
 1.47A 1ceaA-4qi4A:
undetectable
1ceaB-4qi4A:
undetectable		 1ceaA-4qi4A:
10.05
1ceaB-4qi4A:
10.05
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		4 ASP A 298
ASP A 273
TYR A 377
THR A 315
 BGC  A 402 (-2.7A)
None
None
None
 1.47A 1ceaA-4rxuA:
undetectable
1ceaB-4rxuA:
undetectable		 1ceaA-4rxuA:
12.26
1ceaB-4rxuA:
12.26
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ASP A 277
ASP A 248
TYR A 358
THR A 294
 GAL  A 401 (-2.8A)
None
TRS  A 402 (-2.9A)
None
 1.48A 1ceaA-4wwhA:
undetectable
1ceaB-4wwhA:
undetectable		 1ceaA-4wwhA:
12.86
1ceaB-4wwhA:
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.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		4 ASP A 158
ARG A 164
TYR A 165
THR A 191
 None
 1.46A 1ceaA-4x9sA:
undetectable
1ceaB-4x9sA:
undetectable		 1ceaA-4x9sA:
15.58
1ceaB-4x9sA:
15.58
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.
4xkz VALINE-TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF08264
(Anticodon_1) 		4 ASP A 671
TYR A 709
TYR A 713
THR A 734
 None
 1.39A 1ceaA-4xkzA:
undetectable
1ceaB-4xkzA:
undetectable		 1ceaA-4xkzA:
16.10
1ceaB-4xkzA:
16.10
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ASP A 361
ASP A 212
TYR A 323
THR A 228
 AG2  A 505 ( 3.8A)
None
AG2  A 505 (-4.3A)
None
 1.38A 1ceaA-4xqeA:
undetectable
1ceaB-4xqeA:
undetectable		 1ceaA-4xqeA:
13.48
1ceaB-4xqeA:
13.48
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.
4yiv APICAL MEMBRANE
ANTIGEN AMA1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		4 ASP A 106
ASP A 205
TYR A 230
THR A 211
 None
 1.36A 1ceaA-4yivA:
undetectable
1ceaB-4yivA:
undetectable		 1ceaA-4yivA:
11.41
1ceaB-4yivA:
11.41
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.
4z1p CELL WALL SURFACE
ANCHOR PROTEIN

(Streptococcus
agalactiae) 		PF16364
(Antigen_C) 		4 ASP A 294
ASP A 235
TYR A 232
THR A 263
 None
 1.24A 1ceaA-4z1pA:
undetectable
1ceaB-4z1pA:
undetectable		 1ceaA-4z1pA:
11.66
1ceaB-4z1pA:
11.66
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		4 ASP A 214
TRP A 216
TYR A 291
THR A 211
 None
GLC  A 503 ( 3.9A)
GLC  A 502 ( 4.2A)
None
 1.00A 1ceaA-4zzeA:
undetectable
1ceaB-4zzeA:
undetectable		 1ceaA-4zzeA:
12.43
1ceaB-4zzeA:
12.43
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ASP A1625
ASP A1623
ARG A1702
TYR A1673
 None
 1.43A 1ceaA-5a31A:
undetectable
1ceaB-5a31A:
undetectable		 1ceaA-5a31A:
5.13
1ceaB-5a31A:
5.13
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A 361
TYR A 370
TYR A 295
THR A 201
 None
 1.43A 1ceaA-5aewA:
undetectable
1ceaB-5aewA:
undetectable		 1ceaA-5aewA:
9.71
1ceaB-5aewA:
9.71
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.
5c08 1E6 TCR ALPHA CHAIN
1E6 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 ASP D 138
ASP D 117
TYR D 121
THR E 140
 None
 1.28A 1ceaA-5c08D:
undetectable
1ceaB-5c08D:
undetectable		 1ceaA-5c08D:
23.57
1ceaB-5c08D:
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 ASP A 121
TYR A 129
TYR A 142
THR A 179
 T6T  A 401 (-2.0A)
None
None
T6T  A 401 (-3.0A)
 1.26A 1ceaA-5dkvA:
undetectable
1ceaB-5dkvA:
undetectable		 1ceaA-5dkvA:
13.45
1ceaB-5dkvA:
13.45
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 ASP A 193
ASP A  32
TYR A  38
ARG A  35
 ZN  A 508 (-2.1A)
ZN  A 509 (-1.9A)
None
None
 1.29A 1ceaA-5egeA:
undetectable
1ceaB-5egeA:
undetectable		 1ceaA-5egeA:
12.31
1ceaB-5egeA:
12.31
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		4 TRP A 124
TYR A  98
ARG A 131
THR A 148
 CL  A 409 (-4.9A)
None
None
None
 1.40A 1ceaA-5esrA:
undetectable
1ceaB-5esrA:
undetectable		 1ceaA-5esrA:
12.34
1ceaB-5esrA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fws KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		4 ASP A  88
ASP A  90
TRP A  94
TYR A  96
 None
 0.52A 1ceaA-5fwsA:
undetectable
1ceaB-5fwsA:
undetectable		 1ceaA-5fwsA:
11.39
1ceaB-5fwsA:
11.39
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.
5fww KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		4 ASP B  88
ASP B  90
TRP B  94
TYR B  96
 None
 0.69A 1ceaA-5fwwB:
undetectable
1ceaB-5fwwB:
undetectable		 1ceaA-5fwwB:
19.20
1ceaB-5fwwB:
19.20
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ASP A 219
ARG A 151
TYR A 149
THR A  96
 None
 1.40A 1ceaA-5hm5A:
undetectable
1ceaB-5hm5A:
undetectable		 1ceaA-5hm5A:
7.90
1ceaB-5hm5A:
7.90
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		4 ASP A 109
ASP A  29
TYR A 176
TYR A 295
 HIS  A 505 (-2.3A)
HIS  A 505 ( 4.5A)
6KY  A 504 (-4.0A)
6KY  A 504 (-3.4A)
 1.43A 1ceaA-5jh8A:
undetectable
1ceaB-5jh8A:
undetectable		 1ceaA-5jh8A:
12.70
1ceaB-5jh8A:
12.70
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.
5kai CYTOCHROME C-550

(Thermosynechococcus
elongatus) 		PF14495
(Cytochrom_C550) 		4 ASP V  53
TYR V  75
ARG V  66
THR V  58
 None
HEM  V 201 (-4.0A)
None
HEM  V 201 (-4.4A)
 1.27A 1ceaA-5kaiV:
undetectable
1ceaB-5kaiV:
undetectable		 1ceaA-5kaiV:
19.51
1ceaB-5kaiV:
19.51
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		4 ASP A 252
TRP A 207
TYR A 222
ARG A 220
 None
 0.91A 1ceaA-5kvaA:
undetectable
1ceaB-5kvaA:
undetectable		 1ceaA-5kvaA:
15.11
1ceaB-5kvaA:
15.11
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ASP A1625
ASP A1623
ARG A1702
TYR A1673
 None
 1.49A 1ceaA-5lcwA:
undetectable
1ceaB-5lcwA:
undetectable		 1ceaA-5lcwA:
4.50
1ceaB-5lcwA:
4.50
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		4 ASP A  60
TRP A 144
ARG A 173
THR A 141
 PGE  A 304 (-2.8A)
None
None
None
 1.46A 1ceaA-5lk4A:
undetectable
1ceaB-5lk4A:
undetectable		 1ceaA-5lk4A:
20.37
1ceaB-5lk4A:
20.37
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.
5mdx OXYGEN-EVOLVING
ENHANCER PROTEIN
1-1, CHLOROPLASTIC
PHOTOSYSTEM II
PROTEIN D1

(Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF01716
(MSP) 		4 ASP A  59
ASP A  61
TYR O 236
ARG O 237
 None
 1.22A 1ceaA-5mdxA:
undetectable
1ceaB-5mdxA:
undetectable		 1ceaA-5mdxA:
12.46
1ceaB-5mdxA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ASP A 596
TRP A 595
TYR A 152
THR A 609
 GOL  A 701 (-3.0A)
GOL  A 701 (-4.2A)
None
None
 1.37A 1ceaA-5no8A:
undetectable
1ceaB-5no8A:
undetectable		 1ceaA-5no8A:
9.49
1ceaB-5no8A:
9.49
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.
5u7g CREB-BINDING PROTEIN

(Mus musculus) 		PF00439
(Bromodomain)
PF00569
(ZZ)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 ASP A1652
ASP A1654
TYR A1458
TYR A1461
 None
 1.48A 1ceaA-5u7gA:
undetectable
1ceaB-5u7gA:
undetectable		 1ceaA-5u7gA:
10.17
1ceaB-5u7gA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 ASP A 199
ASP A  39
TYR A  45
ARG A  42
 ZN  A 502 (-2.3A)
ZN  A 501 (-2.0A)
None
None
 1.38A 1ceaA-5udyA:
undetectable
1ceaB-5udyA:
undetectable		 1ceaA-5udyA:
13.51
1ceaB-5udyA:
13.51
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.
5uro PREDICTED PROTEIN

(Trichoderma
reesei) 		PF00561
(Abhydrolase_1) 		4 ASP A 116
TRP A 117
ARG A 124
THR A 141
 None
 1.48A 1ceaA-5uroA:
undetectable
1ceaB-5uroA:
undetectable		 1ceaA-5uroA:
11.31
1ceaB-5uroA:
11.31
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 ASP A 191
ASP A  36
TYR A  42
ARG A  39
 ZN  A 502 (-2.0A)
ZN  A 501 (-2.0A)
None
None
 1.35A 1ceaA-5vemA:
undetectable
1ceaB-5vemA:
undetectable		 1ceaA-5vemA:
14.42
1ceaB-5vemA:
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		4 ASP A 191
ASP A  36
TYR A  42
ARG A  39
 ZN  A 501 (-2.0A)
ZN  A 502 ( 2.1A)
None
None
 1.35A 1ceaA-5veoA:
undetectable
1ceaB-5veoA:
undetectable		 1ceaA-5veoA:
12.04
1ceaB-5veoA:
12.04
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.
5wkh D30 TCR BETA CHAIN
T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968)
no annotation 		4 ASP D 149
ASP D 128
TYR D 132
THR E 154
 None
 1.48A 1ceaA-5wkhD:
undetectable
1ceaB-5wkhD:
undetectable		 1ceaA-5wkhD:
14.66
1ceaB-5wkhD:
14.66
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 439
TYR A 447
ARG B 355
TYR B 356
 None
 1.49A 1ceaA-5y58A:
undetectable
1ceaB-5y58A:
undetectable		 1ceaA-5y58A:
19.35
1ceaB-5y58A:
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.
5y9c MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		no annotation 4 ASP A 202
TYR A 234
ARG A 251
THR A 155
 None
 1.44A 1ceaA-5y9cA:
undetectable
1ceaB-5y9cA:
undetectable		 1ceaA-5y9cA:
13.68
1ceaB-5y9cA:
13.68
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.
5zzn -

(-) 		no annotation 4 ASP V  53
TYR V  75
ARG V  66
THR V  58
 None
HEM  V 201 (-3.7A)
None
HEM  V 201 (-4.2A)
 1.18A 1ceaA-5zznV:
undetectable
1ceaB-5zznV:
undetectable		 1ceaA-5zznV:
undetectable
1ceaB-5zznV:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 4 ASP A 313
TYR A 206
TYR A 207
THR A 316
 None
 1.01A 1ceaA-6c93A:
undetectable
1ceaB-6c93A:
undetectable		 1ceaA-6c93A:
17.20
1ceaB-6c93A:
17.20
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 4 ASP A 111
TRP A  87
ARG A  45
THR A 135
 None
 1.18A 1ceaA-6fi2A:
undetectable
1ceaB-6fi2A:
undetectable		 1ceaA-6fi2A:
12.79
1ceaB-6fi2A:
12.79