SIMILAR PATTERNS OF AMINO ACIDS FOR 1AXW_B_MTXB733_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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 301
TYR A  14
 None
 1.30A 1axwB-1am5A:
undetectable		 1axwB-1am5A:
21.45
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 305
TYR A  14
 None
 1.49A 1axwB-1am5A:
undetectable		 1axwB-1am5A:
21.45
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 HIS A  69
ILE A 194
ASP A 256
GLY A 253
TYR A 206
 ZN  A 400 (-3.2A)
None
None
None
None
 1.47A 1axwB-1ayeA:
0.0		 1axwB-1ayeA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 1.13A 1axwB-1bsfA:
33.1		 1axwB-1bsfA:
37.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
TRP A  94
TRP A  97
GLY A 188
PHE A 191
 None
 1.48A 1axwB-1bsfA:
33.1		 1axwB-1bsfA:
37.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		6 LYS A  61
ILE A  93
ASP A 184
LEU A 187
GLY A 188
TYR A 224
 None
 0.83A 1axwB-1bsfA:
33.1		 1axwB-1bsfA:
37.01
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) 		7 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.71A 1axwB-1ci7A:
37.4		 1axwB-1ci7A:
44.67
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.
1clx XYLANASE A

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10) 		5 ILE A  32
ASP A 309
LEU A 325
PHE A 327
TYR A 315
 None
 1.45A 1axwB-1clxA:
0.0		 1axwB-1clxA:
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 HIS A 424
ILE A 550
ASP A 612
GLY A 609
TYR A 562
 ZN  A 301 ( 3.4A)
None
None
None
None
 1.45A 1axwB-1dtdA:
0.0		 1axwB-1dtdA:
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 HIS A 382
ASP A 451
GLY A 454
TYR A 480
VAL A 477
 None
 1.33A 1axwB-1e43A:
0.0		 1axwB-1e43A:
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 244
TRP A 310
LEU A 189
GLY A 306
VAL A 212
 COA  A1350 (-4.4A)
None
COA  A1350 ( 4.8A)
None
None
 1.44A 1axwB-1eblA:
undetectable		 1axwB-1eblA:
21.80
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) 		8 LYS A  77
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 ( 4.3A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.67A 1axwB-1hvyA:
38.9		 1axwB-1hvyA:
51.04
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 LYS C 372
ASP C 513
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.74A 1axwB-1j3jC:
36.1		 1axwB-1j3jC:
40.85
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) 		6 LYS C 372
ILE C 403
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.69A 1axwB-1j3jC:
36.1		 1axwB-1j3jC:
40.85
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.
1m6e S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE

(Clarkia breweri) 		PF03492
(Methyltransf_7) 		5 ILE X  55
LEU X  43
GLY X 203
PHE X 142
VAL X  49
 None
 1.47A 1axwB-1m6eX:
undetectable		 1axwB-1m6eX:
21.47
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 ILE A 225
LEU A 155
GLY A 152
TYR A  74
VAL A  70
 None
 1.32A 1axwB-1pwwA:
undetectable		 1axwB-1pwwA:
15.76
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		5 LEU A 143
GLY A 144
PHE A 163
TYR A  27
VAL A 170
 None
 1.37A 1axwB-1q56A:
undetectable		 1axwB-1q56A:
21.17
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.
1qag UTROPHIN ACTIN
BINDING REGION

(Homo sapiens) 		PF00307
(CH) 		5 ILE A 243
ASP A 181
GLY A 182
PHE A 185
VAL A 172
 None
 1.47A 1axwB-1qagA:
undetectable		 1axwB-1qagA:
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 713
ASP A 719
GLY A 718
PHE A 717
VAL A 674
 None
 1.43A 1axwB-1qgrA:
undetectable		 1axwB-1qgrA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhx PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)

(Streptomyces
venezuelae) 		PF07931
(CPT) 		5 ILE A  89
ASP A  92
GLY A  35
PHE A  34
VAL A  20
 None
MG  A 500 (-3.1A)
None
None
None
 1.33A 1axwB-1qhxA:
undetectable		 1axwB-1qhxA:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ASP A 179
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 1.16A 1axwB-1tisA:
32.1		 1axwB-1tisA:
45.73
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) 		8 LYS A  69
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.45A 1axwB-2aazA:
undetectable		 1axwB-2aazA:
43.53
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 HIS A 379
LEU A 128
GLY A 338
PHE A 348
VAL A 126
 None
 1.34A 1axwB-2d4vA:
undetectable		 1axwB-2d4vA:
19.72
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.70A 1axwB-2h2qA:
34.7		 1axwB-2h2qA:
26.49
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
TRP A 317
ASP A 426
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 0.76A 1axwB-2h2qA:
34.7		 1axwB-2h2qA:
26.49
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LYS A 285
ILE A 316
ASP A 426
LEU A 429
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 1.13A 1axwB-2h2qA:
34.7		 1axwB-2h2qA:
26.49
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 HIS A  17
ILE A  43
TRP A  49
ASP A 102
GLY A  97
 None
 1.46A 1axwB-2i80A:
undetectable		 1axwB-2i80A:
20.33
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.
2kzt PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		5 ILE A 172
ASP A 180
GLY A 179
PHE A 176
VAL A 184
 None
 1.39A 1axwB-2kztA:
undetectable		 1axwB-2kztA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mr7 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00550
(PP-binding) 		5 ILE A  22
ASP A  32
LEU A  37
PHE A  34
VAL A  25
 None
 1.34A 1axwB-2mr7A:
undetectable		 1axwB-2mr7A:
15.77
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.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 ILE A 275
LEU A 270
GLY A 268
TYR A  96
VAL A 242
 None
 1.14A 1axwB-2o1bA:
undetectable		 1axwB-2o1bA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LYS A 284
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.49A 1axwB-2oipA:
39.1		 1axwB-2oipA:
26.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASP A  60
LEU A  71
GLY A  69
PHE A  65
VAL A  74
 None
 1.48A 1axwB-2pa6A:
undetectable		 1axwB-2pa6A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 ILE A 713
ASP A 719
GLY A 718
PHE A 717
VAL A 674
 None
 1.43A 1axwB-2qnaA:
undetectable		 1axwB-2qnaA:
15.47
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.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 HIS A  71
ILE A  69
TRP A  43
LEU A  31
GLY A  18
 None
 1.32A 1axwB-2sfaA:
undetectable		 1axwB-2sfaA:
19.41
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) 		7 LYS A  50
ILE A  81
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.7A)
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.71A 1axwB-2tddA:
35.7		 1axwB-2tddA:
51.11
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 LYS A  50
ILE A  81
TRP A  82
ASP A 221
GLY A 225
PHE A 228
 THF  A 568 ( 4.7A)
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.83A 1axwB-2tddA:
35.7		 1axwB-2tddA:
51.11
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.
2woz KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 10

(Rattus
norvegicus) 		PF01344
(Kelch_1) 		5 HIS A 440
LEU A 393
GLY A 394
TYR A 348
VAL A 350
 None
 1.13A 1axwB-2wozA:
undetectable		 1axwB-2wozA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6p UFM1-CONJUGATING
ENZYME 1

(Homo sapiens) 		PF08694
(UFC1) 		5 HIS A 120
TRP A 125
GLY A 141
TYR A  42
VAL A  10
 None
 1.49A 1axwB-2z6pA:
undetectable		 1axwB-2z6pA:
20.30
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.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 ILE A 166
GLY A 153
PHE A 152
TYR A 134
VAL A 198
 None
 1.24A 1axwB-3bblA:
undetectable		 1axwB-3bblA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpx AMINOPEPTIDASE, M42
FAMILY

(Cytophaga
hutchinsonii) 		PF05343
(Peptidase_M42) 		5 ILE A 215
ASP A 287
GLY A 212
PHE A 242
VAL A 207
 None
 1.50A 1axwB-3cpxA:
undetectable		 1axwB-3cpxA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 ILE A 374
TRP A 485
LEU A 244
GLY A 246
VAL A 221
 None
 1.47A 1axwB-3f8tA:
undetectable		 1axwB-3f8tA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 HIS A 206
LEU A 138
GLY A 159
PHE A 158
VAL A 132
 None
 1.45A 1axwB-3fxbA:
undetectable		 1axwB-3fxbA:
22.13
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 ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.57A 1axwB-3ix6A:
35.5		 1axwB-3ix6A:
47.78
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 ILE C  70
ASP C  83
LEU C  79
GLY C  52
VAL C  30
 None
 1.43A 1axwB-3j9uC:
undetectable		 1axwB-3j9uC:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 ILE A 131
ASP A 122
LEU A 125
GLY A 121
PHE A 153
 None
 1.23A 1axwB-3jxzA:
undetectable		 1axwB-3jxzA:
19.85
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 ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.95A 1axwB-3kgbA:
33.1		 1axwB-3kgbA:
46.13
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LYS A 275
ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.68A 1axwB-3kjrA:
37.9		 1axwB-3kjrA:
26.51
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		5 ILE A  13
ASP A  84
LEU A  80
GLY A  81
PHE A  79
 None
 1.38A 1axwB-3milA:
undetectable		 1axwB-3milA:
22.03
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ILE B 390
ASP B 425
LEU B 450
TYR B 457
VAL B 428
 None
 1.47A 1axwB-3ogkB:
undetectable		 1axwB-3ogkB:
18.69
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.
3p7j HETEROCHROMATIN
PROTEIN 1

(Drosophila
melanogaster) 		PF01393
(Chromo_shadow) 		5 ILE A 166
LEU A 147
GLY A 142
PHE A 143
VAL A 171
 None
 1.28A 1axwB-3p7jA:
undetectable		 1axwB-3p7jA:
14.67
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.67A 1axwB-3um6A:
36.3		 1axwB-3um6A:
23.36
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) 		6 LYS A  48
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.65A 1axwB-3v8hA:
34.1		 1axwB-3v8hA:
36.09
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 LYS A  48
TRP A  80
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.81A 1axwB-3v8hA:
34.1		 1axwB-3v8hA:
36.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 ASP A 216
LEU A 228
GLY A 229
TYR A 122
VAL A 160
 None
 1.46A 1axwB-4ag4A:
undetectable		 1axwB-4ag4A:
21.08
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.
4d01 NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-9

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 ILE A  80
ASP A  64
LEU A  67
GLY A 116
VAL A  87
 None
 1.50A 1axwB-4d01A:
undetectable		 1axwB-4d01A:
21.90
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 ILE A  84
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)
 0.91A 1axwB-4dq1A:
36.3		 1axwB-4dq1A:
49.69
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 LYS A  53
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.32A 1axwB-4dq1A:
36.3		 1axwB-4dq1A:
49.69
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 LYS A  53
ILE A  84
ASP A 224
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.75A 1axwB-4dq1A:
36.3		 1axwB-4dq1A:
49.69
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) 		8 LYS A  48
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.40A 1axwB-4fogA:
40.5		 1axwB-4fogA:
66.29
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 ASP A 172
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 0.97A 1axwB-4h0uA:
38.9		 1axwB-4h0uA:
63.30
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) 		6 LYS A  51
ASP A 172
LEU A 175
GLY A 176
TYR A 212
VAL A 264
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
None
 0.69A 1axwB-4h0uA:
38.9		 1axwB-4h0uA:
63.30
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) 		6 LYS A  51
ILE A  82
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.62A 1axwB-4h0uA:
38.9		 1axwB-4h0uA:
63.30
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
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.89A 1axwB-4iqqA:
36.3		 1axwB-4iqqA:
44.13
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) 		5 ILE A 110
TRP A 111
LEU A 223
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.05A 1axwB-4iqqA:
36.3		 1axwB-4iqqA:
44.13
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 LYS A  79
ILE A 110
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 D16  A 402 ( 4.5A)
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 1.06A 1axwB-4iqqA:
36.3		 1axwB-4iqqA:
44.13
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.
4jc2 ASFP504

(Alcyonium) 		PF01353
(GFP) 		5 ILE A  56
ASP A 121
GLY A 122
PHE A 125
VAL A 103
 None
 1.35A 1axwB-4jc2A:
undetectable		 1axwB-4jc2A:
22.34
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 ILE A 516
ASP A 535
GLY A 534
PHE A 503
TYR A 855
 None
 1.42A 1axwB-4krfA:
undetectable		 1axwB-4krfA:
15.21
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 709
ASP A 715
GLY A 714
PHE A 713
VAL A 670
 None
 1.41A 1axwB-4xriA:
undetectable		 1axwB-4xriA:
14.53
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 ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.79A 1axwB-4xscA:
36.5		 1axwB-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) 		6 ILE A  96
TRP A  97
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.93A 1axwB-4xscA:
36.5		 1axwB-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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ILE A 295
LEU A 103
GLY A  99
PHE A 100
VAL A 300
 None
 1.36A 1axwB-5aw4A:
undetectable		 1axwB-5aw4A:
12.77
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
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.95A 1axwB-5by6A:
36.6		 1axwB-5by6A:
47.23
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) 		6 LYS A  71
ILE A 102
ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.94A 1axwB-5by6A:
36.6		 1axwB-5by6A:
47.23
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.
5doi TELOMERASE
ASSOCIATED PROTEIN
P45

(Tetrahymena
thermophila) 		no annotation 5 ILE E  51
ASP E  54
LEU E  10
GLY E  57
TYR E 116
 None
 1.31A 1axwB-5doiE:
undetectable		 1axwB-5doiE:
18.29
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 ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.89A 1axwB-5h3aA:
36.5		 1axwB-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 ILE A 132
TRP A 133
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.99A 1axwB-5h3aA:
36.5		 1axwB-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.
5inr DIPEPTIDASE

(Lactobacillus
farciminis) 		PF03577
(Peptidase_C69) 		5 ASP A 123
LEU A 119
GLY A 120
TYR A  53
VAL A  60
 None
 1.48A 1axwB-5inrA:
undetectable		 1axwB-5inrA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 911
ASP B 896
LEU B 898
GLY B 897
VAL B 952
 None
 1.42A 1axwB-5ip9B:
undetectable		 1axwB-5ip9B:
11.59
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.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 5 ILE B 796
ASP B 352
LEU B 351
GLY B 349
VAL B 354
 None
 1.33A 1axwB-5iz5B:
undetectable		 1axwB-5iz5B:
14.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 ILE A  80
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.85A 1axwB-5j7wA:
36.4		 1axwB-5j7wA:
51.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 LYS A  49
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.34A 1axwB-5j7wA:
36.4		 1axwB-5j7wA:
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.
5kkr KINASE SUPPRESSOR OF
RAS 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 HIS B 868
ILE B 906
LEU B 860
GLY B 861
VAL B 771
 None
 1.48A 1axwB-5kkrB:
undetectable		 1axwB-5kkrB:
23.10
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.
5lxv SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		5 ILE A  53
LEU A 108
GLY A  56
PHE A  76
VAL A  24
 None
 1.45A 1axwB-5lxvA:
undetectable		 1axwB-5lxvA:
18.49
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 ILE A 473
ASP A 506
GLY A 467
PHE A 446
VAL A 538
 None
 1.16A 1axwB-5m60A:
undetectable		 1axwB-5m60A:
15.56
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LYS A 371
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.69A 1axwB-5t0lA:
38.9		 1axwB-5t0lA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ILE A 370
ASP A 386
LEU A 382
PHE A 381
VAL A 434
 None
None
None
EDO  A 907 (-3.6A)
None
 1.37A 1axwB-5t98A:
undetectable		 1axwB-5t98A:
16.16
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.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 5 TRP A 254
ASP A 217
LEU A 222
GLY A 221
VAL A 215
 None
 1.36A 1axwB-5v8cA:
undetectable		 1axwB-5v8cA:
15.87
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6

(Homo sapiens) 		PF01399
(PCI)
PF10602
(RPN7) 		5 ASP Y 139
LEU Y 138
GLY Y 135
TYR Y 143
VAL Y 141
 None
 1.50A 1axwB-5vhiY:
undetectable		 1axwB-5vhiY:
17.89
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ILE A 519
ASP A 538
GLY A 537
PHE A 506
TYR A 858
 None
 1.41A 1axwB-5vm9A:
undetectable		 1axwB-5vm9A:
14.94
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.
6bsu XYLOGLUCAN
6-XYLOSYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 265
LEU A 267
GLY A 253
TYR A 259
VAL A 323
 None
 1.40A 1axwB-6bsuA:
undetectable		 1axwB-6bsuA:
16.17
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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 5 HIS A 372
LEU A 134
GLY A 331
PHE A 341
VAL A 132
 None
 1.39A 1axwB-6c0eA:
undetectable		 1axwB-6c0eA:
15.15
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 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.04A 1axwB-6cdzA:
42.6		 1axwB-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 7 ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.92A 1axwB-6cdzA:
42.6		 1axwB-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 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.09A 1axwB-6cdzA:
42.6		 1axwB-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 7 LYS A  48
ILE A  79
TRP A  80
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.77A 1axwB-6cdzA:
42.6		 1axwB-6cdzA:
100.00