SIMILAR PATTERNS OF AMINO ACIDS FOR 2KCE_A_D16A566_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 SER A  26
LEU A 199
ASP A 194
GLY A 140
ALA A 189
 None
None
None
None
0H8  A   1 ( 4.6A)
 1.18A 2kceA-1au8A:
0.0		 2kceA-1au8A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		5 GLU A  51
LEU A 108
ASP A 105
VAL A 153
ALA A 155
 None
 1.25A 2kceA-1c9wA:
0.0		 2kceA-1c9wA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		6 GLU A  65
TRP A  87
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.82A 2kceA-1ci7A:
37.4		 2kceA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		6 TRP A  87
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.12A 2kceA-1ci7A:
37.4		 2kceA-1ci7A:
45.00
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 LEU A1218
ASP A1132
GLY A1272
VAL A1136
ALA A1135
 None
 1.33A 2kceA-1eg7A:
0.0		 2kceA-1eg7A:
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.
1fi8 NATURAL KILLER CELL
PROTEASE 1

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 SER A  26
LEU A 199
ASP A 194
GLY A 140
ALA A 189
 None
 1.07A 2kceA-1fi8A:
0.0		 2kceA-1fi8A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		5 LEU A  87
GLY A  56
PHE A  59
VAL A  40
ALA A  65
 None
 1.36A 2kceA-1h5qA:
0.0		 2kceA-1h5qA:
21.58
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TRP A  47
LEU A 261
GLY A 267
PHE A 150
ALA A 190
 None
 1.35A 2kceA-1hc7A:
0.0		 2kceA-1hc7A:
19.71
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.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		5 SER A 139
LEU A  47
ASP A  59
VAL A  39
ALA A  36
 None
 1.35A 2kceA-1hg8A:
0.0		 2kceA-1hg8A:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 GLU A  87
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.49A 2kceA-1hvyA:
39.6		 2kceA-1hvyA:
51.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 TRP A 109
LEU A 192
ASP A 218
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.83A 2kceA-1hvyA:
39.6		 2kceA-1hvyA:
51.04
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 SER A 235
ASP A 132
GLY A 128
PHE A 126
ALA A 136
 None
 1.30A 2kceA-1lzkA:
undetectable		 2kceA-1lzkA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjz THIOPURINE
S-METHYLTRANSFERASE

(Pseudomonas
syringae) 		PF05724
(TPMT) 		5 TRP A  37
TRP A  13
GLY A  42
VAL A  24
ALA A 101
 None
 1.22A 2kceA-1pjzA:
undetectable		 2kceA-1pjzA:
22.11
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.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		5 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.07A 2kceA-1qvzA:
undetectable		 2kceA-1qvzA:
19.56
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TRP B 135
GLY A 168
PHE A 405
VAL A 108
ALA A 109
 None
ACE  A 633 ( 4.3A)
ACE  A 633 (-3.7A)
None
None
 1.30A 2kceA-1tqyB:
undetectable		 2kceA-1tqyB:
19.66
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLU A 299
LEU A 310
ASP A 268
GLY A 303
ALA A 254
 None
 1.20A 2kceA-1wn1A:
undetectable		 2kceA-1wn1A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		5 LEU A 117
GLY A 269
PHE A 226
VAL A  31
ALA A  32
 None
 1.23A 2kceA-1woiA:
undetectable		 2kceA-1woiA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 GLU A  79
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.34A 2kceA-2aazA:
undetectable		 2kceA-2aazA:
43.85
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 SER A 287
TRP A 249
GLY A 232
PHE A 262
VAL A 103
 GLC  A 632 ( 4.2A)
None
None
GLC  A 632 (-4.1A)
None
 1.35A 2kceA-2d3lA:
undetectable		 2kceA-2d3lA:
20.00
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 SER A 118
LEU A 319
PHE A 147
VAL A 104
ALA A 103
 None
 1.05A 2kceA-2elcA:
undetectable		 2kceA-2elcA:
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 SER A 409
LEU A 226
ASP A 254
GLY A 239
ALA A 256
 None
 1.34A 2kceA-2gbxA:
undetectable		 2kceA-2gbxA:
19.30
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 SER A 437
LEU A 306
GLY A 399
TYR A 192
ALA A 351
 None
 1.31A 2kceA-2hj0A:
undetectable		 2kceA-2hj0A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 294
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.53A 2kceA-2oipA:
39.3		 2kceA-2oipA:
26.20
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.
2pnw MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE

(Agrobacterium
fabrum) 		PF03562
(MltA)
PF06725
(3D) 		5 SER A  93
ASP A 334
GLY A 333
VAL A 350
ALA A 347
 None
 1.05A 2kceA-2pnwA:
undetectable		 2kceA-2pnwA:
21.60
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		5 LEU A 333
GLY A 352
TYR A 370
VAL A 349
ALA A 347
 None
 1.07A 2kceA-2q07A:
undetectable		 2kceA-2q07A:
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 LEU A 357
GLY A 282
PHE A 281
VAL A 287
ALA A 332
 None
 1.35A 2kceA-2qpmA:
undetectable		 2kceA-2qpmA:
18.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 GLU A  60
LEU A 195
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 None
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.76A 2kceA-2tddA:
35.8		 2kceA-2tddA:
51.43
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 LEU A 146
GLY A 339
LYS A  59
VAL A  64
ALA A  67
 None
FAD  A1373 (-3.2A)
None
None
None
 1.33A 2kceA-2uzzA:
undetectable		 2kceA-2uzzA:
20.48
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.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 GLU A 119
LEU A 251
GLY A 279
PHE A 280
ALA A 244
 None
 1.34A 2kceA-2w2iA:
undetectable		 2kceA-2w2iA:
20.77
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 292
LEU A 400
ASP A  77
GLY A 538
TYR A  78
 None
 1.35A 2kceA-2wu5A:
undetectable		 2kceA-2wu5A:
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLU A 213
LEU A 435
GLY A 427
VAL A 466
ALA A 469
 None
 1.25A 2kceA-3cdiA:
undetectable		 2kceA-3cdiA:
16.32
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 GLU A 139
LEU A 187
GLY A 147
PHE A 171
ALA A 190
 None
 1.36A 2kceA-3cjtA:
undetectable		 2kceA-3cjtA:
22.92
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.
3f6a HYDROLASE, NUDIX
FAMILY

(Clostridium
perfringens) 		PF00293
(NUDIX) 		5 SER A 117
GLU A 116
GLY A  33
TYR A 101
VAL A   9
 None
 1.36A 2kceA-3f6aA:
undetectable		 2kceA-3f6aA:
20.31
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.
3fzy RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 SER A3487
GLU A3485
ASP A3452
GLY A3453
LYS A3611
 None
None
None
None
IHP  A8000 (-2.9A)
 1.20A 2kceA-3fzyA:
undetectable		 2kceA-3fzyA:
22.11
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.
3gc3 BETA-ARRESTIN-1

(Bos taurus) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		5 SER A 193
LEU A 199
ASP A 334
GLY A 333
VAL A 228
 None
 1.25A 2kceA-3gc3A:
undetectable		 2kceA-3gc3A:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A  58
ASP A 169
GLY A 173
TYR A 209
 None
 0.72A 2kceA-3ix6A:
35.4		 2kceA-3ix6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A  58
LEU A 143
ASP A 169
GLY A 173
 None
 1.02A 2kceA-3ix6A:
35.4		 2kceA-3ix6A:
48.33
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 5 SER B 135
LEU B  63
ASP B  18
GLY B 108
ALA B  72
 None
 1.27A 2kceA-3jruB:
undetectable		 2kceA-3jruB:
18.16
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 SER A 281
GLU A 285
TRP A 307
LEU A 390
ASP A 416
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.2A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.74A 2kceA-3kjrA:
38.6		 2kceA-3kjrA:
26.71
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLU A  88
LEU A 109
GLY A  32
VAL A 135
ALA A 136
 SAH  A 216 (-2.9A)
None
SAH  A 216 (-3.5A)
None
None
 1.27A 2kceA-3mq2A:
undetectable		 2kceA-3mq2A:
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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		5 GLU A 164
LEU A 160
GLY A 143
VAL A 179
ALA A 137
 None
 1.36A 2kceA-3mtvA:
undetectable		 2kceA-3mtvA:
20.68
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		5 SER A 159
GLU A 236
LEU A 244
GLY A 389
ALA A 386
 None
 1.20A 2kceA-3nc3A:
undetectable		 2kceA-3nc3A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 GLU A  52
LEU A 109
ASP A 106
VAL A 154
ALA A 156
 None
 1.22A 2kceA-3o3rA:
undetectable		 2kceA-3o3rA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 LEU A 101
ASP A  98
GLY A 150
VAL A   5
ALA A  32
 None
 1.20A 2kceA-3t7cA:
undetectable		 2kceA-3t7cA:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.05A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A  58
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.70A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A  58
LEU A 189
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.95A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 1.06A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.23A 2kceA-3v8hA:
34.0		 2kceA-3v8hA:
36.53
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.
3wj9 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2A

(Schizosaccharomyces
pombe) 		PF08662
(eIF2A) 		5 GLU A  63
LEU A  17
GLY A  46
LYS A  86
ALA A  50
 None
 1.12A 2kceA-3wj9A:
undetectable		 2kceA-3wj9A:
18.59
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 LEU A 217
ASP A 214
GLY A 168
VAL A 204
ALA A 203
 None
 1.16A 2kceA-3zphA:
undetectable		 2kceA-3zphA:
18.59
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 275
GLY A 320
PHE A 319
VAL A 325
ALA A 296
 None
 1.34A 2kceA-4a0sA:
undetectable		 2kceA-4a0sA:
18.72
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.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		5 SER A 594
LEU A  94
GLY A 598
VAL A 572
ALA A 571
 None
 1.22A 2kceA-4cvcA:
undetectable		 2kceA-4cvcA:
18.71
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 0.99A 2kceA-4cw4A:
undetectable		 2kceA-4cw4A:
18.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 GLU A  63
LEU A 198
ASP A 224
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.69A 2kceA-4dq1A:
36.4		 2kceA-4dq1A:
50.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 LEU A 198
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.17A 2kceA-4dq1A:
36.4		 2kceA-4dq1A:
50.16
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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 SER A  37
LEU A 103
GLY A  93
VAL A  57
ALA A  56
 None
 1.30A 2kceA-4fhoA:
undetectable		 2kceA-4fhoA:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		9 SER A  54
GLU A  58
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.57A 2kceA-4fogA:
40.8		 2kceA-4fogA:
66.29
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.
4h0m C-PHYCOCYANIN BETA
CHAIN

(Synechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 LEU B 105
ASP B 165
GLY B 161
VAL B 131
ALA B 168
 None
 1.37A 2kceA-4h0mB:
undetectable		 2kceA-4h0mB:
18.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		7 SER A  57
GLU A  61
ASP A 172
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 0.91A 2kceA-4h0uA:
38.8		 2kceA-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 SER A  57
GLU A  61
LEU A 146
GLY A 176
PHE A 179
 None
None
None
UMP  A 301 (-3.6A)
None
 1.07A 2kceA-4h0uA:
38.8		 2kceA-4h0uA:
63.67
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  76
ASP A  82
GLY A  84
PHE A  87
ALA A  41
 None
None
None
FAD  A 400 (-4.9A)
None
 1.04A 2kceA-4irnA:
undetectable		 2kceA-4irnA:
20.05
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 LEU A 482
GLY A 474
PHE A 473
VAL A  23
ALA A  24
 None
 1.26A 2kceA-4k0eA:
undetectable		 2kceA-4k0eA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 419
LEU A 413
ASP A  27
GLY A  59
PHE A  60
 None
 1.06A 2kceA-4lnfA:
undetectable		 2kceA-4lnfA:
20.67
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		5 SER A 100
LEU A  77
GLY A  96
VAL A  44
ALA A  31
 None
 1.00A 2kceA-4n6qA:
undetectable		 2kceA-4n6qA:
21.03
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.
4qww FAB410 ANTIBODY
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER D 120
LEU D  81
TYR D  62
VAL D  48
ALA D  49
 None
 1.26A 2kceA-4qwwD:
undetectable		 2kceA-4qwwD:
19.93
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 SER A 519
ASP A 511
GLY A 513
TYR A 509
ALA A 557
 None
 1.31A 2kceA-4rt6A:
undetectable		 2kceA-4rt6A:
14.11
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.
4uj7 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF02368
(Big_2) 		5 SER A 562
ASP A 684
GLY A 687
VAL A 645
ALA A 646
 None
 1.33A 2kceA-4uj7A:
undetectable		 2kceA-4uj7A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 GLU A  75
TRP A  97
LEU A 180
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.94A 2kceA-4xscA:
36.5		 2kceA-4xscA:
40.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 TRP A  97
LEU A 180
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.30A 2kceA-4xscA:
36.5		 2kceA-4xscA:
40.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 SER A 282
TRP A 288
LEU A 213
ASP A 216
GLY A 217
 None
 1.20A 2kceA-4z7rA:
undetectable		 2kceA-4z7rA:
22.47
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 LEU A 348
GLY A 159
PHE A 123
VAL A 327
ALA A 163
 None
 1.29A 2kceA-4zzeA:
undetectable		 2kceA-4zzeA:
20.57
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 SER A 147
LEU A 136
ASP A 811
GLY A 335
VAL A 332
 None
None
K  A2003 ( 2.7A)
None
None
 1.15A 2kceA-5aw4A:
undetectable		 2kceA-5aw4A:
12.77
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.
5dq9 S55-3 FAB (IGG2B)
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A 108
LEU A  78
TYR A  59
VAL A  48
ALA A  49
 None
 1.25A 2kceA-5dq9A:
undetectable		 2kceA-5dq9A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqs ELONGATION FACTOR
1-BETA

(Homo sapiens) 		no annotation 5 LEU D  12
GLY D   2
LYS D  74
VAL D  37
ALA D  40
 None
 1.33A 2kceA-5dqsD:
undetectable		 2kceA-5dqsD:
13.81
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.
5e7s LON PROTEASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C) 		5 SER A 636
GLU A 705
ASP A 761
GLY A 710
VAL A 765
 None
 1.30A 2kceA-5e7sA:
undetectable		 2kceA-5e7sA:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 GLU A 111
LEU A 216
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.77A 2kceA-5h3aA:
36.3		 2kceA-5h3aA:
47.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 LEU A 216
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.28A 2kceA-5h3aA:
36.3		 2kceA-5h3aA:
47.00
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 SER A 880
LEU A 899
GLY A 874
VAL A 843
ALA A 840
 None
 1.31A 2kceA-5irmA:
undetectable		 2kceA-5irmA:
14.27
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TRP A 394
LEU A 388
GLY A 226
VAL A 230
ALA A 231
 None
 1.27A 2kceA-5jp0A:
undetectable		 2kceA-5jp0A:
15.06
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.
5k97 FLAP ENDONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 SER A 331
GLY A  28
TYR A 173
VAL A  31
ALA A 174
 None
 1.32A 2kceA-5k97A:
undetectable		 2kceA-5k97A:
19.83
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 SER A 429
GLU A 465
GLY A 309
VAL A 196
ALA A 197
 FAD  A1801 ( 3.9A)
FAD  A1801 (-4.6A)
None
None
None
 1.28A 2kceA-5laeA:
undetectable		 2kceA-5laeA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 SER B 301
GLU B 446
GLY B 449
VAL B 511
ALA B 521
 None
GAL  B 801 (-2.3A)
None
None
None
 1.34A 2kceA-5ldrB:
undetectable		 2kceA-5ldrB:
15.80
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.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 GLU X  52
LEU X 109
ASP X 106
VAL X 154
ALA X 156
 None
None
None
MLZ  X 155 ( 3.0A)
MLZ  X 155 ( 3.0A)
 1.28A 2kceA-5liyX:
undetectable		 2kceA-5liyX:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 LEU A 380
GLY A 464
PHE A 465
VAL A 452
ALA A 453
 None
 1.16A 2kceA-5mhjA:
undetectable		 2kceA-5mhjA:
19.12
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.
5mhk RS1

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 LEU A 380
GLY A 464
PHE A 465
VAL A 452
ALA A 453
 None
 1.18A 2kceA-5mhkA:
undetectable		 2kceA-5mhkA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 SER A 370
GLU A 415
PHE A 411
VAL A 452
ALA A 507
 None
 1.34A 2kceA-5oasA:
undetectable		 2kceA-5oasA:
16.03
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 GLU A 381
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.47A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.91A 2kceA-5t0lA:
38.9		 2kceA-5t0lA:
24.91
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.
5vwn TRIOSEPHOSPHATE
ISOMERASE

(Trichomonas
vaginalis) 		no annotation 5 TRP A  58
LEU A  27
GLY A   7
PHE A   5
ALA A  42
 None
 1.26A 2kceA-5vwnA:
undetectable		 2kceA-5vwnA:
15.08
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.
5wi9 -

(-) 		no annotation 5 GLU A 135
LEU A 178
PHE A 133
VAL A  96
ALA A  93
 None
 1.36A 2kceA-5wi9A:
undetectable		 2kceA-5wi9A:
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.
5zxd -

(-) 		no annotation 5 GLU A 539
TRP A 191
LEU A 168
GLY A 198
VAL A 216
 None
 1.23A 2kceA-5zxdA:
undetectable		 2kceA-5zxdA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLU A 253
LEU A 317
GLY A 430
VAL A 412
ALA A 409
 None
 0.97A 2kceA-6arxA:
undetectable		 2kceA-6arxA:
17.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 SER A  62
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.24A 2kceA-6aujA:
35.6		 2kceA-6aujA:
65.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 SER A  62
GLU A  66
ASP A 177
GLY A 181
TYR A 217
 None
PGE  A 301 (-4.1A)
None
PGE  A 301 ( 4.0A)
None
 0.80A 2kceA-6aujA:
35.6		 2kceA-6aujA:
65.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
GLU A  58
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.79A 2kceA-6cdzA:
42.1		 2kceA-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.23A 2kceA-6cdzA:
42.1		 2kceA-6cdzA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 SER A 717
GLU A 418
LEU A 423
GLY A 441
ALA A1198
 None
 1.22A 2kceA-6en4A:
undetectable		 2kceA-6en4A:
15.53