SIMILAR PATTERNS OF AMINO ACIDS FOR 1AXW_A_MTXA732_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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 314
LEU A 333
GLY A 300
VAL A 138
ALA A 139
 None
 1.15A 1axwA-1bkhA:
0.0		 1axwA-1bkhA:
20.73
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
 0.91A 1axwA-1bsfA:
32.7		 1axwA-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 LYS A  61
ILE A  93
LEU A 187
TYR A 224
ALA A 278
 None
 1.11A 1axwA-1bsfA:
32.7		 1axwA-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
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
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)
 0.78A 1axwA-1ci7A:
37.2		 1axwA-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.
1f5v OXYGEN-INSENSITIVE
NADPH NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 HIS A  69
ILE A  14
LEU A 157
PHE A  17
ALA A 118
 None
 1.07A 1axwA-1f5vA:
0.0		 1axwA-1f5vA:
21.38
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.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		5 ILE A 107
LEU A 111
LEU A  55
VAL A  30
ALA A  29
 None
 1.16A 1axwA-1gkeA:
0.0		 1axwA-1gkeA:
19.26
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 LYS A  77
ILE A 108
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 D16  A 414 ( 4.3A)
D16  A 414 (-3.7A)
None
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)
D16  A 414 (-3.6A)
 0.70A 1axwA-1hvyA:
39.1		 1axwA-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) 		6 LYS C 372
ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.67A 1axwA-1j3jC:
35.6		 1axwA-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) 		5 LYS C 372
LEU C 487
ASP C 513
LEU C 516
GLY C 517
 None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
 0.84A 1axwA-1j3jC:
35.6		 1axwA-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.
1nln ADENAIN

(Human
mastadenovirus
C) 		PF00770
(Peptidase_C5) 		5 LEU A 201
LEU A 124
GLY A 123
PHE A 125
ALA A 195
 None
 1.14A 1axwA-1nlnA:
0.7		 1axwA-1nlnA:
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.
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
 1.05A 1axwA-1qvzA:
0.0		 1axwA-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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 ILE A  60
LEU A  54
GLY A  30
VAL A 120
ALA A  74
 None
 1.07A 1axwA-1x25A:
undetectable		 1axwA-1x25A:
16.86
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.
1xeu INTERNALIN C

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ILE A  43
ASP A  49
LEU A  52
GLY A  51
ALA A  91
 None
 1.16A 1axwA-1xeuA:
undetectable		 1axwA-1xeuA:
23.28
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
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.6A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.28A 1axwA-2aazA:
undetectable		 1axwA-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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 HIS A  42
ILE A 235
LEU A 300
GLY A 194
VAL A 186
 None
 1.12A 1axwA-2aniA:
undetectable		 1axwA-2aniA:
20.45
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 LEU A 474
LEU A 463
GLY A 506
VAL A 462
ALA A 747
 None
 1.14A 1axwA-2cn3A:
undetectable		 1axwA-2cn3A:
15.97
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.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 5 ILE A 167
LEU A 157
GLY A  82
VAL A 102
ALA A  99
 None
 1.12A 1axwA-2fnoA:
undetectable		 1axwA-2fnoA:
20.21
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.
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)
 0.79A 1axwA-2h2qA:
34.5		 1axwA-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
LEU A 400
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 1.05A 1axwA-2h2qA:
34.5		 1axwA-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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		6 ILE A  37
LEU A  66
LEU A  14
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
None
NAI  A 601 (-3.3A)
None
None
 1.34A 1axwA-2hmsA:
undetectable		 1axwA-2hmsA:
19.17
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.
2lni STRESS-INDUCED-PHOSP
HOPROTEIN 1

(Homo sapiens) 		PF00515
(TPR_1)
PF13414
(TPR_11) 		5 ILE A  77
LEU A  70
GLY A  86
VAL A 106
ALA A 103
 None
 1.13A 1axwA-2lniA:
undetectable		 1axwA-2lniA:
19.74
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.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 HIS A  48
ILE A 275
LEU A 270
GLY A 268
TYR A  96
 None
 1.14A 1axwA-2o1bA:
undetectable		 1axwA-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) 		9 LYS A 284
ILE A 315
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
None
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)
CB3  A 604 ( 4.0A)
 0.43A 1axwA-2oipA:
39.2		 1axwA-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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 ILE A  32
ASP A  56
GLY A  11
VAL A  35
ALA A  53
 None
 1.10A 1axwA-2ppvA:
undetectable		 1axwA-2ppvA:
25.00
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TRP A  13
LEU A  12
LEU A 112
GLY A 113
VAL A 105
 None
 1.09A 1axwA-2qyvA:
undetectable		 1axwA-2qyvA:
19.60
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
LEU A 195
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 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)
UFP  A 529 (-4.7A)
 0.80A 1axwA-2tddA:
35.8		 1axwA-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) 		7 LYS A  50
LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.7A)
THF  A 568 (-4.6A)
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 1axwA-2tddA:
35.8		 1axwA-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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A  33
LEU A 111
LEU A  28
VAL A 166
ALA A 167
 None
 1.15A 1axwA-2x0qA:
undetectable		 1axwA-2x0qA:
17.61
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 LYS A 637
ILE A 281
ASP A 320
GLY A 249
ALA A 253
 WCC  A 811 ( 3.6A)
None
None
None
None
 1.09A 1axwA-3cf4A:
undetectable		 1axwA-3cf4A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 HIS A 195
GLY A 171
TYR A 116
VAL A 141
ALA A 142
 None
 1.08A 1axwA-3gocA:
undetectable		 1axwA-3gocA:
20.45
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN

(Methylobacillus
flagellatus) 		PF00027
(cNMP_binding) 		5 ILE A 142
LEU A 136
ASP A  30
GLY A  29
PHE A  28
 None
 1.11A 1axwA-3gydA:
undetectable		 1axwA-3gydA:
21.00
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) 		7 HIS A  51
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.96A 1axwA-3ix6A:
35.4		 1axwA-3ix6A:
47.78
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
 0.99A 1axwA-3kgbA:
33.0		 1axwA-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
LEU A 390
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.9A)
None
None
None
None
None
None
 0.64A 1axwA-3kjrA:
38.2		 1axwA-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.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		5 ILE A 114
LEU A  85
ASP A  40
GLY A 109
ALA A  68
 None
None
NI  A 300 (-2.4A)
None
None
 1.14A 1axwA-3no4A:
undetectable		 1axwA-3no4A:
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		5 LEU A 249
GLY A 294
PHE A 313
VAL A 160
ALA A 161
 None
 1.01A 1axwA-3od1A:
undetectable		 1axwA-3od1A:
21.59
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ILE A 258
LEU A 255
TYR A  14
VAL A 123
ALA A 124
 None
None
None
CA  A 353 (-4.8A)
None
 1.16A 1axwA-3ti7A:
undetectable		 1axwA-3ti7A:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 403
LEU A 487
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)
 0.97A 1axwA-3um6A:
35.9		 1axwA-3um6A:
23.36
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.68A 1axwA-3um6A:
35.9		 1axwA-3um6A:
23.36
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
LEU A 487
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)
 0.75A 1axwA-3um6A:
35.9		 1axwA-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) 		7 LYS A  48
LEU A 189
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.90A 1axwA-3v8hA:
33.9		 1axwA-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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 HIS A 128
LEU A  98
GLY A  99
VAL A 110
ALA A  83
 None
 1.10A 1axwA-3vcyA:
undetectable		 1axwA-3vcyA:
19.77
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 ILE B 149
LEU B 135
ASP B  99
LEU B 102
PHE B  71
 None
 1.05A 1axwA-3vsjB:
undetectable		 1axwA-3vsjB:
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 432
GLY A 353
PHE A 434
VAL A 469
ALA A 422
 None
 1.13A 1axwA-3zz1A:
undetectable		 1axwA-3zz1A:
16.97
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 HIS A 286
ILE A 291
LEU A 352
LEU A 281
PHE A 321
 None
 1.08A 1axwA-4b8bA:
undetectable		 1axwA-4b8bA:
19.87
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.
4bgb PUTATIVE SUGAR
KINASE MK0840

(Methanopyrus
kandleri) 		PF03702
(AnmK) 		5 ILE A  43
LEU A 106
GLY A 121
VAL A 135
ALA A 345
 None
 0.99A 1axwA-4bgbA:
undetectable		 1axwA-4bgbA:
22.09
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 HIS V 884
ILE V 959
LEU V 855
GLY V 856
VAL V 980
 None
 1.16A 1axwA-4bxsV:
undetectable		 1axwA-4bxsV:
11.60
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  37
LEU A  57
GLY A  58
VAL A   4
ALA A   3
 None
 1.13A 1axwA-4cpdA:
undetectable		 1axwA-4cpdA:
21.54
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.
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
 1.00A 1axwA-4cw4A:
undetectable		 1axwA-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) 		6 ILE A  84
LEU A 198
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.08A 1axwA-4dq1A:
36.4		 1axwA-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) 		6 LYS A  53
ILE A  84
LEU A 198
ASP A 224
GLY A 228
TYR A 264
 None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.95A 1axwA-4dq1A:
36.4		 1axwA-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) 		6 LYS A  53
LEU A 198
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.56A 1axwA-4dq1A:
36.4		 1axwA-4dq1A:
49.69
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		5 ILE A  20
LEU A 542
ASP A 619
PHE A 614
ALA A 623
 None
 1.14A 1axwA-4el8A:
undetectable		 1axwA-4el8A:
19.84
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 LYS A  48
HIS A  51
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.3A)
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)
 0.40A 1axwA-4fogA:
40.7		 1axwA-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) 		7 HIS A  54
ASP A 172
LEU A 175
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
 0.93A 1axwA-4h0uA:
38.7		 1axwA-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) 		7 HIS A  54
LEU A 146
ASP A 172
LEU A 175
GLY A 176
PHE A 179
VAL A 264
 None
None
None
None
UMP  A 301 (-3.6A)
None
None
 1.19A 1axwA-4h0uA:
38.7		 1axwA-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) 		7 LYS A  51
HIS A  54
ASP A 172
LEU A 175
GLY A 176
TYR A 212
VAL A 264
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
None
 0.69A 1axwA-4h0uA:
38.7		 1axwA-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
HIS A  54
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.75A 1axwA-4h0uA:
38.7		 1axwA-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
HIS A  54
ILE A  82
LEU A 146
ASP A 172
GLY A 176
 None
None
None
None
None
UMP  A 301 (-3.6A)
 0.95A 1axwA-4h0uA:
38.7		 1axwA-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) 		7 LYS A  51
HIS A  54
LEU A 146
ASP A 172
LEU A 175
GLY A 176
VAL A 264
 None
None
None
None
None
UMP  A 301 (-3.6A)
None
 1.05A 1axwA-4h0uA:
38.7		 1axwA-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)
 0.90A 1axwA-4iqqA:
36.2		 1axwA-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
LEU A 194
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)
 1.16A 1axwA-4iqqA:
36.2		 1axwA-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.
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
 1.12A 1axwA-4irnA:
undetectable		 1axwA-4irnA:
20.27
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.
4j91 KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ILE A  37
LEU A  66
GLY A  13
VAL A  42
ALA A  52
 ADP  A 601 (-3.9A)
None
ADP  A 601 (-3.4A)
None
None
 0.96A 1axwA-4j91A:
undetectable		 1axwA-4j91A:
22.35
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		5 LEU A   6
GLY A 105
PHE A  25
VAL A 135
ALA A 134
 None
 1.09A 1axwA-4lruA:
undetectable		 1axwA-4lruA:
20.56
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.
4pg6 HOMOSERINE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.02A 1axwA-4pg6A:
undetectable		 1axwA-4pg6A:
19.58
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.
4r7k HYPOTHETICAL PROTEIN
JHP0584

(Helicobacter
pylori) 		no annotation 5 ILE A  27
LEU A  31
GLY A  30
VAL A 163
ALA A 164
 None
 1.08A 1axwA-4r7kA:
undetectable		 1axwA-4r7kA:
20.22
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.
4uuo CYTOSOLIC MALATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 106
GLY A 111
PHE A 107
TYR A 117
VAL A  72
 None
 1.09A 1axwA-4uuoA:
undetectable		 1axwA-4uuoA:
22.83
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.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		5 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.04A 1axwA-4wqeA:
undetectable		 1axwA-4wqeA:
22.04
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 5 ILE A 328
LEU A 373
LEU A 322
GLY A 323
VAL A 282
 None
NA  A1015 (-4.1A)
None
EDO  A1011 (-3.4A)
None
 0.92A 1axwA-4xj5A:
undetectable		 1axwA-4xj5A:
22.53
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
LEU A 180
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.03A 1axwA-4xscA:
36.4		 1axwA-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
LEU A 180
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.69A 1axwA-4xscA:
36.4		 1axwA-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.
4yme SENSORY BOX/GGDEF
FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00990
(GGDEF) 		5 ASP A 375
LEU A 377
GLY A 376
VAL A 431
ALA A 434
 None
 1.09A 1axwA-4ymeA:
undetectable		 1axwA-4ymeA:
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		5 ILE A  37
LEU A  66
LEU A  14
VAL A  42
ALA A  52
 None
 1.07A 1axwA-5butA:
undetectable		 1axwA-5butA:
21.30
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)
 1.00A 1axwA-5by6A:
36.3		 1axwA-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)
 1.00A 1axwA-5by6A:
36.3		 1axwA-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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 HIS A 176
ILE A 429
PHE A 377
TYR A 435
VAL A 432
ALA A 433
 None
 1.49A 1axwA-5df0A:
undetectable		 1axwA-5df0A:
18.08
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.
5eo9 CG32791, ISOFORM A

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ILE B 135
LEU B 109
GLY B 120
PHE B 137
ALA B  82
 None
None
None
NAG  B 901 ( 4.6A)
None
 0.95A 1axwA-5eo9B:
undetectable		 1axwA-5eo9B:
19.64
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 HIS A1060
ILE A1070
LEU A1073
LEU A 970
VAL A 969
 None
 1.09A 1axwA-5gn1A:
undetectable		 1axwA-5gn1A:
19.84
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
LEU A 216
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.07A 1axwA-5h3aA:
36.3		 1axwA-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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ILE A 433
LEU A 484
LEU A 402
GLY A 418
PHE A 435
 None
 1.10A 1axwA-5i5lA:
undetectable		 1axwA-5i5lA:
18.53
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 ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.78A 1axwA-5j7wA:
36.1		 1axwA-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 ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 None
 0.91A 1axwA-5j7wA:
36.1		 1axwA-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
 0.37A 1axwA-5j7wA:
36.1		 1axwA-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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 190
LEU A 195
GLY A  83
TYR A  88
ALA A 142
 None
SO4  A 303 (-4.0A)
None
None
None
 0.99A 1axwA-5jn9A:
undetectable		 1axwA-5jn9A:
21.04
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 ILE A 213
LEU A 219
ASP A 233
GLY A 234
ALA A 158
 None
None
PLP  A 501 (-2.6A)
None
None
 1.07A 1axwA-5k1rA:
undetectable		 1axwA-5k1rA:
18.43
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00146
(NADHdh)
PF00499
(Oxidored_q3) 		5 ILE H 140
LEU H 146
GLY J  62
VAL H 113
ALA H 112
 None
 1.12A 1axwA-5lc5H:
undetectable		 1axwA-5lc5H:
19.76
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 HIS A 930
ILE A1051
LEU A 923
VAL A 842
ALA A 841
 None
 0.99A 1axwA-5lstA:
undetectable		 1axwA-5lstA:
16.84
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 ILE A 324
LEU A 537
GLY A 509
VAL A 504
ALA A 501
 None
 1.14A 1axwA-5odrA:
undetectable		 1axwA-5odrA:
16.56
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) 		9 LYS A 371
ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
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)
CB3  A 703 (-3.8A)
 0.68A 1axwA-5t0lA:
38.8		 1axwA-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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 HIS A 139
ILE A 239
LEU A 409
ASP A 376
GLY A 377
 None
None
None
UDP  A 501 ( 4.5A)
None
 1.14A 1axwA-5v0tA:
undetectable		 1axwA-5v0tA:
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE A 254
GLY A 251
PHE A 252
VAL A 136
ALA A 137
 None
 1.10A 1axwA-5vf3A:
undetectable		 1axwA-5vf3A:
19.01
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 0.85A 1axwA-5wvgA:
undetectable		 1axwA-5wvgA:
12.93
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 HIS A 319
ILE A 162
ASP A 150
GLY A 148
ALA A 153
 None
 1.11A 1axwA-5xgvA:
undetectable		 1axwA-5xgvA:
14.77
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 HIS A  59
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
 1.09A 1axwA-6aujA:
35.7		 1axwA-6aujA:
64.96
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 HIS A  59
ASP A 177
LEU A 180
GLY A 181
TYR A 217
 None
None
None
PGE  A 301 ( 4.0A)
None
 0.70A 1axwA-6aujA:
35.7		 1axwA-6aujA:
64.96
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
 1.15A 1axwA-6cdzA:
42.3		 1axwA-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
LEU A 143
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)
 0.99A 1axwA-6cdzA:
42.3		 1axwA-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
 1.26A 1axwA-6cdzA:
42.3		 1axwA-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
LEU A 143
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)
 0.78A 1axwA-6cdzA:
42.3		 1axwA-6cdzA:
100.00