SIMILAR PATTERNS OF AMINO ACIDS FOR 1CEA_B_ACAB90_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 1ceaB-1a0hA:
9.0		 1ceaB-1a0hA:
31.86
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		4 ARG A 464
ASP A 246
ASP A 248
TYR A 228
 None
 1.20A 1ceaB-1f0xA:
0.0		 1ceaB-1f0xA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ARG A 488
ASP A 376
ASP A 377
TYR A 420
 None
R03  A 800 ( 4.1A)
R03  A 800 ( 4.3A)
R03  A 800 ( 4.9A)
 1.39A 1ceaB-1h39A:
0.0		 1ceaB-1h39A:
9.29
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.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		4 ARG A  78
ASP A 147
ASP A 152
TYR A  89
 None
None
MG  A 282 (-2.8A)
None
 1.39A 1ceaB-1hujA:
0.0		 1ceaB-1hujA:
13.49
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)
 1.04A 1ceaB-1i71A:
15.5		 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
 0.53A 1ceaB-1kivA:
15.6		 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.
1njf DNA POLYMERASE III
SUBUNIT GAMMA

(Escherichia
coli) 		PF13177
(DNA_pol3_delta2) 		4 ARG A  11
ASP A 126
ASP A  94
ARG A   8
 AGS  A 402 (-3.0A)
None
None
None
 1.38A 1ceaB-1njfA:
undetectable		 1ceaB-1njfA:
20.96
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) 		5 ARG A  34
ASP A  55
TRP A  62
TYR A  64
TYR A  72
 None
CL  A  91 ( 4.7A)
None
None
None
 0.99A 1ceaB-1pkrA:
18.2		 1ceaB-1pkrA:
98.78
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
 0.54A 1ceaB-1pkrA:
18.2		 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
 1.30A 1ceaB-1pznA:
undetectable		 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.
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
 1.13A 1ceaB-1zsqA:
undetectable		 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
 1.27A 1ceaB-1zylA:
undetectable		 1ceaB-1zylA:
11.65
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
 0.54A 1ceaB-2doiX:
17.2		 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
 0.86A 1ceaB-2hppP:
undetectable		 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
 0.76A 1ceaB-2hpqP:
undetectable		 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.
2j3w ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		4 ASP B 111
ASP B 112
TYR B 116
TYR B 115
 None
 1.48A 1ceaB-2j3wB:
undetectable		 1ceaB-2j3wB:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3c APEX NUCLEASE 1

(Danio rerio) 		PF03372
(Exo_endo_phos) 		4 ARG A 149
ASP A 182
TYR A 177
ARG A 174
 None
 1.46A 1ceaB-2o3cA:
undetectable		 1ceaB-2o3cA:
17.22
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 ARG A 175
ASP A 199
TRP A 167
ARG A 155
 None
 1.48A 1ceaB-2oolA:
undetectable		 1ceaB-2oolA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		4 ARG A  25
ASP A 142
ASP A 143
TYR A 179
 None
MG  A 325 ( 2.6A)
UPG  A 326 (-3.5A)
UPG  A 326 (-4.6A)
 1.11A 1ceaB-2pa4A:
undetectable		 1ceaB-2pa4A:
13.75
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)
 0.50A 1ceaB-2pk4A:
15.9		 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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 ARG A 252
ASP A  82
TRP A 117
ARG A 180
 None
 1.29A 1ceaB-2q7sA:
undetectable		 1ceaB-2q7sA:
13.92
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
 0.64A 1ceaB-2sptA:
16.9		 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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		4 ASP A1012
TYR A1032
ARG A 949
TYR A1033
 None
 1.45A 1ceaB-2yn9A:
undetectable		 1ceaB-2yn9A:
7.30
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.49A 1ceaB-3auoA:
undetectable		 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.
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
 1.14A 1ceaB-3bgaA:
undetectable		 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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 ARG A 116
ASP A 531
ASP A 515
ARG A 422
 None
 1.48A 1ceaB-3cdiA:
undetectable		 1ceaB-3cdiA:
9.14
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.
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
 1.23A 1ceaB-3decA:
undetectable		 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
 0.33A 1ceaB-3e6pL:
undetectable		 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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11)
PF14710
(Nitr_red_alph_N)
PF14711
(Nitr_red_bet_C) 		4 ASP B 213
ASP B 215
TRP A  31
TYR A  35
 None
 1.27A 1ceaB-3egwB:
undetectable		 1ceaB-3egwB:
12.00
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
 0.31A 1ceaB-3k65A:
undetectable		 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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 232
ASP A  73
TYR A 153
TYR A  69
 EDO  A  22 (-4.1A)
None
None
None
 1.28A 1ceaB-3l22A:
undetectable		 1ceaB-3l22A:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.40A 1ceaB-3nxpA:
undetectable		 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.
3oht P38A

(Salmo salar) 		PF00069
(Pkinase) 		4 ASP A 151
ASP A 169
TYR A 324
ARG A  74
 None
1N1  A1000 (-3.4A)
None
None
 1.31A 1ceaB-3ohtA:
undetectable		 1ceaB-3ohtA:
13.11
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 ARG A 158
ASP A 318
ASP A 319
TYR A 448
 None
None
None
63F  A 601 (-4.1A)
 1.40A 1ceaB-3qghA:
undetectable		 1ceaB-3qghA:
10.90
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 ARG A 227
ASP A 322
ASP A 320
TYR A 182
 None
 1.46A 1ceaB-3rkxA:
undetectable		 1ceaB-3rkxA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t9o DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli) 		no annotation 4 ASP A  65
ASP A  67
TYR A 120
TYR A 123
 None
 1.25A 1ceaB-3t9oA:
undetectable		 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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		4 ASP A 256
ASP A 253
TRP A 196
TYR A 201
 None
 1.44A 1ceaB-3tmgA:
undetectable		 1ceaB-3tmgA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 214
TYR A 283
ARG A 325
TYR A 278
 None
 1.44A 1ceaB-3uggA:
undetectable		 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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 ARG A 217
ASP A 211
ASP A 210
ARG A 591
 None
 1.49A 1ceaB-3vmnA:
undetectable		 1ceaB-3vmnA:
8.04
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)
 0.36A 1ceaB-4bvvA:
16.7		 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 1ceaB-4bvwA:
16.0		 1ceaB-4bvwA:
44.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		4 ARG A 433
ASP A 445
TYR A 448
TYR A 449
 None
 1.48A 1ceaB-4ckkA:
undetectable		 1ceaB-4ckkA:
9.61
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.
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 499
ASP A 422
TYR A 479
TYR A 477
 None
PO4  A1560 ( 4.9A)
None
PO4  A1560 (-4.3A)
 1.17A 1ceaB-4cmnA:
undetectable		 1ceaB-4cmnA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dou ADIPONECTIN

(Homo sapiens) 		PF00386
(C1q) 		4 ASP A 368
TYR A 186
ARG A 221
TYR A 216
 None
 1.45A 1ceaB-4douA:
undetectable		 1ceaB-4douA:
11.21
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
 0.64A 1ceaB-4duuA:
15.2		 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
 0.61A 1ceaB-4duuA:
15.2		 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 1ceaB-4eiuA:
undetectable		 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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ASP A 245
ASP A 212
TYR A 208
TYR A 190
 None
 1.32A 1ceaB-4frxA:
undetectable		 1ceaB-4frxA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h54 DIGUANYLATE CYCLASE
YDEH

(Escherichia
coli) 		PF00990
(GGDEF) 		4 ASP A  65
ASP A  67
TYR A 120
TYR A 123
 None
 1.22A 1ceaB-4h54A:
undetectable		 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
 0.40A 1ceaB-4hzhA:
undetectable		 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.
4jz5 GP26

(Listeria phage
P40) 		PF01183
(Glyco_hydro_25) 		4 ARG A  29
ASP A   6
TRP A 149
TYR A 129
 None
 1.25A 1ceaB-4jz5A:
undetectable		 1ceaB-4jz5A:
15.00
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.
4nzm INOSITOL
HEXAKISPHOSPHATE AND
DIPHOSPHOINOSITOL-PE
NTAKISPHOSPHATE
KINASE 2

(Homo sapiens) 		no annotation 4 ARG A 262
ASP A 309
ASP A 321
TYR A 250
 0EJ  A 402 (-3.0A)
MG  A 404 ( 2.9A)
MG  A 403 (-2.0A)
None
 1.15A 1ceaB-4nzmA:
undetectable		 1ceaB-4nzmA:
11.21
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.
4o7j CARG

(Serratia sp.
ATCC 39006) 		no annotation 4 ASP B  18
ASP B  14
TYR B 126
ARG B  46
 NA  B 201 (-2.9A)
NA  B 201 (-3.3A)
None
None
 1.50A 1ceaB-4o7jB:
undetectable		 1ceaB-4o7jB:
19.63
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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		4 ARG A 280
ASP A 290
ASP A 292
TYR A 285
 None
MG  A 506 (-2.1A)
MG  A 506 (-3.2A)
None
 1.40A 1ceaB-4r7fA:
undetectable		 1ceaB-4r7fA:
12.84
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ARG B 731
ASP B 553
ASP B 549
TYR B 535
 None
 1.25A 1ceaB-4tmaB:
undetectable		 1ceaB-4tmaB:
11.81
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.
4yhb IRON-CHELATOR
UTILIZATION PROTEIN

(Thermobifida
fusca) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		4 ASP A  52
ASP A  48
TYR A 137
ARG A   8
 None
 1.30A 1ceaB-4yhbA:
undetectable		 1ceaB-4yhbA:
16.92
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.
4zfl AMIDOHYDROLASE EGTC

(Mycolicibacterium
smegmatis) 		PF13522
(GATase_6) 		4 ARG A  12
ASP A 201
ASP A 203
TRP A 206
 None
 1.41A 1ceaB-4zflA:
undetectable		 1ceaB-4zflA:
13.04
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ASP A1625
ASP A1623
ARG A1702
TYR A1673
 None
 1.47A 1ceaB-5a31A:
undetectable		 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.
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
 1.32A 1ceaB-5egeA:
undetectable		 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.
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
 0.54A 1ceaB-5fwsA:
undetectable		 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
 0.66A 1ceaB-5fwwB:
undetectable		 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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 4 ARG C 447
ASP C 407
TYR C 374
ARG C 378
 None
 1.08A 1ceaB-5hr4C:
undetectable		 1ceaB-5hr4C:
7.45
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.
5kj2 HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF08214
(HAT_KAT11) 		4 ASP A1614
ASP A1616
TYR A1421
TYR A1424
 None
 1.46A 1ceaB-5kj2A:
undetectable		 1ceaB-5kj2A:
13.43
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.
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 ASP A1614
ASP A1616
TYR A1421
TYR A1424
 None
 1.48A 1ceaB-5lkzA:
undetectable		 1ceaB-5lkzA:
10.45
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.
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
 1.09A 1ceaB-5mdxA:
undetectable		 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.
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
 1.42A 1ceaB-5u7gA:
undetectable		 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
 1.44A 1ceaB-5udyA:
undetectable		 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.
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
 1.39A 1ceaB-5vemA:
undetectable		 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
 1.39A 1ceaB-5veoA:
undetectable		 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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 ARG A 403
ASP A 397
ASP A 393
TYR A 186
 None
 1.49A 1ceaB-5w3fA:
undetectable		 1ceaB-5w3fA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY
CRISPR-ASSOCIATED
PROTEIN, CSE4 FAMILY

(Thermobifida
fusca) 		no annotation 4 ARG B  37
ASP B  20
ASP B  21
TYR M 107
 None
None
C  J   9 ( 4.5A)
None
 1.34A 1ceaB-6c66B:
undetectable		 1ceaB-6c66B:
15.96