SIMILAR PATTERNS OF AMINO ACIDS FOR 6R2E_C_FFOC404_0

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.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		10 PHE A  58
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
CB3  A 768 (-3.8A)
 0.84A 6r2eC-1ci7A:
43.6		 6r2eC-1ci7A:
55.56
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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 PHE A 121
ILE A 120
LEU A 219
LEU A 118
MET A 186
 None
 1.43A 6r2eC-1cleA:
0.0		 6r2eC-1cleA:
20.22
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) 		9 PHE A  80
ILE A 108
TRP A 109
ASN A 112
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
 0.59A 6r2eC-1hvyA:
47.3		 6r2eC-1hvyA:
99.65
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) 		9 PHE A  80
ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
ASN A 226
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.4A)
 0.76A 6r2eC-1hvyA:
47.3		 6r2eC-1hvyA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 ILE C 403
TRP C 404
ASN C 407
LEU C 487
ASN C 521
 None
None
None
None
UMP  C 611 (-2.8A)
 0.94A 6r2eC-1j3jC:
40.5		 6r2eC-1j3jC:
49.39
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 PHE A 222
ILE A  81
ASN A 158
LEU A 189
ASP A 240
 None
GOL  A3005 ( 4.2A)
GOL  A3001 ( 3.1A)
None
GOL  A3001 ( 2.5A)
 1.38A 6r2eC-1q8fA:
0.0		 6r2eC-1q8fA:
21.25
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 PHE E 305
ILE E 306
LEU E   6
ASP E  32
GLY E 217
 None
None
None
HH0  E 327 (-2.7A)
HH0  E 327 (-3.5A)
 1.37A 6r2eC-1qrpE:
0.0		 6r2eC-1qrpE:
21.86
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 LEU A 981
LEU A 672
GLY A 673
ASN A 677
MET A 375
 None
 1.41A 6r2eC-1urjA:
0.0		 6r2eC-1urjA:
13.34
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		5 PHE A 108
ASN A 167
LEU A 139
LEU A 461
GLY A 460
 None
 1.30A 6r2eC-1wnbA:
0.0		 6r2eC-1wnbA:
20.04
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.
1zc3 EXOCYST COMPLEX
PROTEIN EXO84

(Rattus
norvegicus) 		no annotation 5 PHE B 253
ILE B 252
ASP B 234
ASN B 231
MET B 238
 None
 1.39A 6r2eC-1zc3B:
0.0		 6r2eC-1zc3B:
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.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 PHE A 125
ILE A 176
LEU A 217
LEU A 178
GLY A  28
 None
 1.32A 6r2eC-2a30A:
undetectable		 6r2eC-2a30A:
20.25
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) 		10 PHE A  72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
CB3  A2351 (-3.4A)
 0.57A 6r2eC-2aazA:
undetectable		 6r2eC-2aazA:
56.34
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 PHE A 284
ILE A 237
ASN A 240
LEU A 234
GLY A 231
 None
 1.18A 6r2eC-2dpgA:
undetectable		 6r2eC-2dpgA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ASP A 426
LEU A 429
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.60A 6r2eC-2h2qA:
39.6		 6r2eC-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ILE A 316
ASP A 426
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.73A 6r2eC-2h2qA:
39.6		 6r2eC-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
TRP A 317
ASN A 320
GLY A 430
ASN A 434
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.84A 6r2eC-2h2qA:
39.6		 6r2eC-2h2qA:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
TRP A 317
ASN A 320
LEU A 400
ASN A 434
 None
None
None
None
None
DU  A 611 (-3.0A)
 0.88A 6r2eC-2h2qA:
39.6		 6r2eC-2h2qA:
39.35
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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 ILE A  66
ASN A 121
ASP A  98
LEU A 101
ASN A  24
 None
 1.20A 6r2eC-2hf8A:
undetectable		 6r2eC-2hf8A:
22.29
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A 230
LEU A  13
ASP A 411
LEU A 328
GLY A 408
 None
 1.14A 6r2eC-2ijzA:
undetectable		 6r2eC-2ijzA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 PHE A 229
ILE A 230
LEU A  13
ASP A 411
GLY A 408
 None
 1.43A 6r2eC-2ijzA:
undetectable		 6r2eC-2ijzA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 3.5A)
 0.77A 6r2eC-2oipA:
44.6		 6r2eC-2oipA:
35.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A 215
LEU A  49
LEU A 227
GLY A  45
ASN A  44
 None
 1.40A 6r2eC-2p4gA:
undetectable		 6r2eC-2p4gA:
20.81
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.
2pp3 L-TALARATE/GALACTARA
TE DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 274
LEU A 289
ASP A 259
LEU A 255
GLY A 262
 None
 1.42A 6r2eC-2pp3A:
undetectable		 6r2eC-2pp3A:
21.80
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.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		5 PHE A  96
ASP A 162
LEU A 158
GLY A 159
ASN A  42
 None
HEC  A   3 ( 4.1A)
HEC  A   3 (-4.2A)
HEC  A   2 (-3.7A)
None
 1.48A 6r2eC-2rf7A:
undetectable		 6r2eC-2rf7A:
19.69
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) 		5 ILE A  81
LEU A 195
ASP A 221
GLY A 225
ASN A 229
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.88A 6r2eC-2tddA:
34.5		 6r2eC-2tddA:
40.61
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) 		5 LEU A 195
ASP A 221
LEU A 224
GLY A 225
ASN A 229
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.76A 6r2eC-2tddA:
34.5		 6r2eC-2tddA:
40.61
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ILE A  60
LEU A 367
ASP A 353
LEU A  62
GLY A 352
 None
 1.28A 6r2eC-2zciA:
undetectable		 6r2eC-2zciA:
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 381
TRP A 378
LEU A 155
ASP A 119
GLY A 121
 None
 1.33A 6r2eC-2zu8A:
undetectable		 6r2eC-2zu8A:
20.69
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 ASN A 677
LEU A 674
ASP A 593
LEU A 153
GLY A 111
 None
 1.39A 6r2eC-3abzA:
undetectable		 6r2eC-3abzA:
16.83
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.14A 6r2eC-3afoA:
undetectable		 6r2eC-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.28A 6r2eC-3fz4A:
undetectable		 6r2eC-3fz4A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq2 GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Bos taurus) 		PF04869
(Uso1_p115_head) 		5 PHE A 351
ILE A 365
LEU A 407
LEU A 393
GLY A 399
 None
 1.48A 6r2eC-3gq2A:
undetectable		 6r2eC-3gq2A:
20.62
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		5 TRP A 384
ASN A 254
ASP A 387
LEU A 386
ASN A 380
 None
 1.22A 6r2eC-3hsiA:
undetectable		 6r2eC-3hsiA:
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 351
ILE A  55
LEU A 170
LEU A 186
GLY A 187
 FAD  A 490 (-4.8A)
None
None
None
None
 1.42A 6r2eC-3ic9A:
undetectable		 6r2eC-3ic9A:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 PHE A  60
ASP A 197
LEU A 200
GLY A 201
ASN A 205
 None
 0.85A 6r2eC-3kgbA:
36.3		 6r2eC-3kgbA:
54.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A 306
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
ASN A 424
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.59A 6r2eC-3kjrA:
44.9		 6r2eC-3kjrA:
35.42
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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ILE A 215
ASN A  15
LEU A  13
ASP A 165
GLY A 166
 None
 1.24A 6r2eC-3l5aA:
undetectable		 6r2eC-3l5aA:
21.92
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 PHE B 362
ILE B 380
LEU B 185
GLY B 377
ASN B 376
 None
 1.43A 6r2eC-3m2rB:
undetectable		 6r2eC-3m2rB:
20.53
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.
3nav TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Vibrio cholerae) 		PF00290
(Trp_syntA) 		5 PHE A 152
ILE A 128
ASN A 104
LEU A 105
LEU A 100
 None
None
None
None
EDO  A 601 (-4.7A)
 1.26A 6r2eC-3navA:
undetectable		 6r2eC-3navA:
20.87
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.24A 6r2eC-3op7A:
undetectable		 6r2eC-3op7A:
24.69
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A 225
ASP A 133
GLY A 134
ASN A  78
MET A 131
 None
 1.35A 6r2eC-3p5mA:
undetectable		 6r2eC-3p5mA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		5 PHE A  95
ILE A  72
ASP A  69
GLY A  70
ASN A  31
 None
None
None
GOL  A 291 ( 4.5A)
MLY  A  32 (-3.9A)
 1.20A 6r2eC-3rwxA:
undetectable		 6r2eC-3rwxA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.94A 6r2eC-3um6A:
40.8		 6r2eC-3um6A:
28.95
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 375
ASP A 513
LEU A 516
GLY A 517
ASN A 521
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.14A 6r2eC-3um6A:
40.8		 6r2eC-3um6A:
28.95
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 ILE A  38
LEU A 299
ASP A 121
LEU A  48
GLY A  47
 None
 1.28A 6r2eC-3va8A:
undetectable		 6r2eC-3va8A:
21.93
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 ILE A  39
LEU A 301
ASP A 123
LEU A  50
GLY A  49
 None
 1.31A 6r2eC-3vdgA:
undetectable		 6r2eC-3vdgA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c82 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Plasmodium
falciparum) 		PF02542
(YgbB) 		5 ILE A 189
ASP A 119
LEU A 102
GLY A 103
ASN A 196
 None
 1.49A 6r2eC-4c82A:
undetectable		 6r2eC-4c82A:
19.17
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) 		6 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.67A 6r2eC-4fogA:
37.8		 6r2eC-4fogA:
44.92
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.
4g0m PROTEIN ARGONAUTE 2

(Arabidopsis
thaliana) 		PF02171
(Piwi) 		5 LEU A 697
ASP A 675
LEU A 638
GLY A 677
MET A 635
 None
 1.45A 6r2eC-4g0mA:
undetectable		 6r2eC-4g0mA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		6 ILE A 110
TRP A 111
ASN A 114
LEU A 194
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
None
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 0.94A 6r2eC-4iqqA:
41.7		 6r2eC-4iqqA:
60.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		6 ILE A 110
TRP A 111
LEU A 194
LEU A 223
GLY A 224
ASN A 228
 D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
UMP  A 401 (-3.3A)
 1.04A 6r2eC-4iqqA:
41.7		 6r2eC-4iqqA:
60.43
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  34
LEU A 300
ASP A 120
LEU A  45
GLY A  44
 None
 1.29A 6r2eC-4it1A:
undetectable		 6r2eC-4it1A:
22.22
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 ILE A 185
LEU A 348
LEU A 183
GLY A 182
ASN A 178
 None
 1.04A 6r2eC-4k05A:
undetectable		 6r2eC-4k05A:
22.22
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.
4l8l 3-DEHYDROQUINATE
DEHYDRATASE 1

(Pseudomonas
aeruginosa) 		PF01220
(DHquinase_II) 		5 PHE A  71
ILE A  73
ASN A  32
LEU A  28
LEU A   7
 None
 1.43A 6r2eC-4l8lA:
undetectable		 6r2eC-4l8lA:
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.
4lxy WLARD, A SUGAR
3N-FORMYL
TRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 PHE A  51
LEU A  62
LEU A  76
GLY A   8
ASN A  35
 None
 1.45A 6r2eC-4lxyA:
undetectable		 6r2eC-4lxyA:
21.87
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 ILE A 209
ASN A 265
ASP A 215
LEU A 254
GLY A 212
 None
 1.43A 6r2eC-4ng3A:
undetectable		 6r2eC-4ng3A:
23.94
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 ILE A  38
TRP A  77
ASP A  83
LEU A  43
GLY A  84
 None
None
MG  A 901 ( 4.7A)
None
None
 1.48A 6r2eC-4okmA:
undetectable		 6r2eC-4okmA:
20.76
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.
4qks DE NOVO PROTEIN
6XTRP/PV2

(synthetic
construct) 		PF00167
(FGF) 		5 ILE A 130
TRP A 132
LEU A  23
ASP A 118
GLY A 119
 None
None
None
None
SO4  A 201 (-4.8A)
 1.48A 6r2eC-4qksA:
undetectable		 6r2eC-4qksA:
19.94
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 ILE A2466
LEU A2290
ASP A2432
LEU A2436
GLY A2435
 None
 1.45A 6r2eC-4tvcA:
undetectable		 6r2eC-4tvcA:
14.76
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 PHE A  68
ASP A 206
LEU A 209
GLY A 210
ASN A 214
 None
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.40A 6r2eC-4xscA:
39.9		 6r2eC-4xscA:
65.94
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) 		6 PHE A  68
ILE A  96
TRP A  97
LEU A 180
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.88A 6r2eC-4xscA:
39.9		 6r2eC-4xscA:
65.94
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) 		6 PHE A  68
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 None
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.99A 6r2eC-4xscA:
39.9		 6r2eC-4xscA:
65.94
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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.35A 6r2eC-4zmmA:
undetectable		 6r2eC-4zmmA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.37A 6r2eC-4zmuA:
undetectable		 6r2eC-4zmuA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 ILE A 102
TRP A 103
ASN A 106
LEU A 186
ASN A 220
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
UMP  A 401 (-3.2A)
 1.03A 6r2eC-5by6A:
41.8		 6r2eC-5by6A:
61.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 PHE A  74
ASP A 212
LEU A 215
GLY A 216
ASN A 220
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-3.2A)
 0.59A 6r2eC-5by6A:
41.8		 6r2eC-5by6A:
61.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 PHE A  74
ILE A 102
TRP A 103
ASN A 106
ASN A 220
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.2A)
 0.85A 6r2eC-5by6A:
41.8		 6r2eC-5by6A:
61.66
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) 		6 ILE A 132
TRP A 133
ASN A 136
LEU A 216
GLY A 246
ASN A 250
 D16  A 401 ( 4.0A)
None
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.85A 6r2eC-5h3aA:
42.5		 6r2eC-5h3aA:
71.38
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 PHE A 104
ILE A 132
TRP A 133
GLY A 246
ASN A 250
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.85A 6r2eC-5h3aA:
42.5		 6r2eC-5h3aA:
71.38
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.
5h67 CHROMOSOME PARTITION
PROTEIN SMC
CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis;
Bacillus
subtilis) 		PF02463
(SMC_N)
PF02463
(SMC_N) 		5 PHE B1113
ILE B1145
LEU B1160
ASP B1158
GLY A  25
 None
 1.43A 6r2eC-5h67B:
undetectable		 6r2eC-5h67B:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 PHE B 387
ILE B 365
ASN B 344
LEU B 322
ASP B 316
 None
 1.09A 6r2eC-5hz1B:
undetectable		 6r2eC-5hz1B:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A 867
LEU A 926
ASP A 873
LEU A 869
GLY A 870
 None
 1.05A 6r2eC-5ja1A:
undetectable		 6r2eC-5ja1A:
13.20
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 536
ASN A 481
LEU A 559
ASN A 564
MET A 540
 None
 1.42A 6r2eC-5k3jA:
undetectable		 6r2eC-5k3jA:
17.92
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 PHE B 334
LEU B 292
ASP B 344
LEU B 341
GLY B 342
 None
 1.44A 6r2eC-5khnB:
undetectable		 6r2eC-5khnB:
16.74
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 PHE B 260
ILE B 244
ASN B 242
LEU b 134
GLY b 172
 None
 1.46A 6r2eC-5l9wB:
undetectable		 6r2eC-5l9wB:
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 ILE B 350
ASP B 297
LEU B 295
GLY B 296
ASN B 618
 None
EDO  B 713 (-3.3A)
EDO  B 713 (-3.9A)
EDO  B 713 (-3.6A)
None
 1.17A 6r2eC-5lxzB:
undetectable		 6r2eC-5lxzB:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 PHE A 154
ILE A 184
LEU A 195
LEU A 129
GLY A 128
 None
 1.49A 6r2eC-5mu5A:
undetectable		 6r2eC-5mu5A:
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.
5mu7 COATOMER SUBUNIT
BETA
COATOMER SUBUNIT
DELTA-LIKE PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF01602
(Adaptin_N)
PF01217
(Clat_adaptor_s) 		5 PHE B 113
ILE B 116
ASN B 124
LEU A 221
GLY B 120
 None
 1.45A 6r2eC-5mu7B:
undetectable		 6r2eC-5mu7B:
19.45
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.
5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE

(Cupriavidus
metallidurans) 		no annotation 5 ILE A 118
ASN A 114
LEU A  70
LEU A 111
GLY A 120
 None
None
None
None
MLI  A 202 ( 3.7A)
 1.48A 6r2eC-5ovuA:
undetectable		 6r2eC-5ovuA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 PHE A 374
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
MET A 608
 None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.6A)
 0.73A 6r2eC-5t0lA:
45.1		 6r2eC-5t0lA:
38.34
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 PHE A 224
ILE A  81
ASN A 160
LEU A 191
ASP A 241
 None
None
BDR  A 402 (-3.1A)
None
BDR  A 402 ( 2.5A)
 1.40A 6r2eC-5tsqA:
undetectable		 6r2eC-5tsqA:
21.29
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.
6cbl NEAMINE TRANSAMINASE
NEON

(Streptomyces
fradiae) 		no annotation 5 PHE A 153
LEU A 113
LEU A 123
GLY A 149
ASN A 146
 None
 1.45A 6r2eC-6cblA:
undetectable		 6r2eC-6cblA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.70A 6r2eC-6cdzA:
37.1		 6r2eC-6cdzA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.93A 6r2eC-6cdzA:
37.1		 6r2eC-6cdzA:
undetectable