SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOX_D_D16D301_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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  60
TRP A  82
ASP A 171
GLY A 175
TYR A 218
 None
None
None
DCM  A 300 (-3.5A)
DCM  A 300 (-4.6A)
 0.91A 4foxD-1b5dA:
18.8		 4foxD-1b5dA:
24.73
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) 		5 GLU A  71
ILE A  93
ASP A 184
GLY A 188
TYR A 224
 None
 1.03A 4foxD-1bsfA:
32.1		 4foxD-1bsfA:
35.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ILE A 235
LEU A 227
GLY A 224
VAL A 205
ALA A 204
 None
 1.21A 4foxD-1c0nA:
0.0		 4foxD-1c0nA:
21.74
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 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.74A 4foxD-1ci7A:
37.5		 4foxD-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		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)
 0.98A 4foxD-1ci7A:
37.5		 4foxD-1ci7A:
45.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 SER A1307
ILE A1316
GLY A1518
VAL A1431
ALA A1432
 None
 1.15A 4foxD-1e6yA:
0.0		 4foxD-1e6yA:
17.22
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) 		8 GLU A  87
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.8A)
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)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.56A 4foxD-1hvyA:
39.6		 4foxD-1hvyA:
50.00
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 ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 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)
D16  A 414 (-3.6A)
 0.80A 4foxD-1hvyA:
39.6		 4foxD-1hvyA:
50.00
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 ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.37A 4foxD-1j3jC:
35.4		 4foxD-1j3jC:
38.79
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 GLU C 382
ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.88A 4foxD-1j3jC:
35.4		 4foxD-1j3jC:
38.79
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 524
GLU A 183
ILE A 180
TYR A 295
ALA A 257
 None
 1.09A 4foxD-1r8wA:
0.0		 4foxD-1r8wA:
14.96
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.
1tmh TRIOSEPHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00121
(TIM) 		5 GLU A 135
GLY A 130
TYR A 211
VAL A 188
ALA A 185
 None
 1.23A 4foxD-1tmhA:
0.0		 4foxD-1tmhA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.21A 4foxD-1xeuA:
undetectable		 4foxD-1xeuA:
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.
1xw8 UPF0271 PROTEIN YBGL

(Escherichia
coli) 		PF03746
(LamB_YcsF) 		5 ILE A 135
LEU A 153
GLY A 148
VAL A 127
ALA A 126
 None
 1.22A 4foxD-1xw8A:
undetectable		 4foxD-1xw8A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 ILE A  61
GLY A  16
PHE A  62
VAL A  21
ALA A  22
 None
 1.17A 4foxD-2a5vA:
undetectable		 4foxD-2a5vA:
24.64
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 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
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)
 0.28A 4foxD-2aazA:
undetectable		 4foxD-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 GLU A 275
ILE A 272
LEU A 188
GLY A 187
VAL A 342
 None
 1.07A 4foxD-2b24A:
undetectable		 4foxD-2b24A:
18.74
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 GLU A 132
GLY A 127
TYR A 209
VAL A 185
ALA A 182
 None
 1.18A 4foxD-2btmA:
undetectable		 4foxD-2btmA:
21.69
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 ILE A   9
LEU A 598
GLY A   6
VAL A 594
ALA A 593
 None
 1.17A 4foxD-2d0oA:
undetectable		 4foxD-2d0oA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.80A 4foxD-2h2qA:
34.4		 4foxD-2h2qA:
27.59
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.83A 4foxD-2h2qA:
34.4		 4foxD-2h2qA:
27.59
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C

(Dickeya
dadantii) 		PF11356
(T2SSC) 		5 SER A 109
ILE A 138
LEU A  97
GLY A  99
TYR A 157
 None
 1.24A 4foxD-2lnvA:
undetectable		 4foxD-2lnvA:
15.59
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		5 SER A 154
ILE A 162
GLY A 160
PHE A 156
ALA A  98
 FES  A 200 (-3.1A)
None
None
None
None
 0.97A 4foxD-2numA:
undetectable		 4foxD-2numA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.8A)
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)
CB3  A 604 ( 4.0A)
 0.45A 4foxD-2oipA:
39.2		 4foxD-2oipA:
28.42
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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 ILE A  32
ASP A  56
GLY A  11
VAL A  35
ALA A  53
 None
 1.17A 4foxD-2ppvA:
undetectable		 4foxD-2ppvA:
23.96
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.
2reo PUTATIVE
SULFOTRANSFERASE 1C3

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 ILE A  65
TRP A  61
LEU A 200
VAL A 137
ALA A 138
 None
A3P  A 401 (-3.2A)
None
None
None
 1.19A 4foxD-2reoA:
undetectable		 4foxD-2reoA:
22.64
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.
2rfq 3-HSA HYDROXYLASE,
OXYGENASE

(Rhodococcus
jostii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 SER A  84
ASP A  61
PHE A  65
VAL A 298
ALA A 299
 None
 1.24A 4foxD-2rfqA:
undetectable		 4foxD-2rfqA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 GLU A  60
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 None
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)
 0.72A 4foxD-2tddA:
35.7		 4foxD-2tddA:
51.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 GLU A  60
ILE A  81
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.86A 4foxD-2tddA:
35.7		 4foxD-2tddA:
51.43
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 GLU A  60
ILE A  81
TRP A  82
ASP A 221
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-4.8A)
 0.90A 4foxD-2tddA:
35.7		 4foxD-2tddA:
51.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.24A 4foxD-2xf8A:
undetectable		 4foxD-2xf8A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ych COMPETENCE PROTEIN
PILM

(Thermus
thermophilus) 		PF11104
(PilM_2) 		5 ILE A  20
LEU A 368
GLY A  17
VAL A 364
ALA A 363
 None
 1.18A 4foxD-2ychA:
undetectable		 4foxD-2ychA:
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.
3bfx SULFOTRANSFERASE 1C2

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 ILE A  58
TRP A  54
LEU A 192
VAL A 129
ALA A 130
 None
A3P  A4000 (-3.2A)
None
None
None
 1.18A 4foxD-3bfxA:
undetectable		 4foxD-3bfxA:
16.72
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		6 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.36A 4foxD-3c6gA:
undetectable		 4foxD-3c6gA:
19.17
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
 0.42A 4foxD-3ix6A:
35.5		 4foxD-3ix6A:
46.67
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 GLU A  67
ASP A 197
LEU A 200
GLY A 201
TYR A 237
 None
 0.92A 4foxD-3kgbA:
33.3		 4foxD-3kgbA:
46.94
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 SER A 281
GLU A 285
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 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.54A 4foxD-3kjrA:
38.8		 4foxD-3kjrA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ILE A1314
LEU A1151
GLY A1222
VAL A1580
ALA A1579
 None
SAH  A1601 (-3.6A)
None
SAH  A1601 (-4.4A)
SAH  A1601 (-4.7A)
 1.23A 4foxD-3ptaA:
undetectable		 4foxD-3ptaA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4foxD-3ti7A:
undetectable		 4foxD-3ti7A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0n MRUBY

(Entacmaea
quadricolor) 		PF01353
(GFP) 		5 ILE A 102
ASP A  98
GLY A  99
VAL A 132
ALA A 131
 None
 1.23A 4foxD-3u0nA:
undetectable		 4foxD-3u0nA:
21.22
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.38A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.71A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.86A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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 SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.68A 4foxD-3v8hA:
34.4		 4foxD-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.40A 4foxD-3v8hA:
34.4		 4foxD-3v8hA:
36.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A 327
ILE A 301
GLY A 167
VAL A 382
ALA A 242
 SER  A 327 ( 0.0A)
ILE  A 301 ( 0.4A)
GLY  A 167 ( 0.0A)
VAL  A 382 ( 0.6A)
ALA  A 242 ( 0.0A)
 1.20A 4foxD-3wd7A:
undetectable		 4foxD-3wd7A:
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.06A 4foxD-3wtbA:
undetectable		 4foxD-3wtbA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4foxD-3zz1A:
undetectable		 4foxD-3zz1A:
16.41
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.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 ILE A 128
LEU A  30
GLY A  29
VAL A  77
ALA A  78
 None
 1.03A 4foxD-4a25A:
undetectable		 4foxD-4a25A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
 None
 1.13A 4foxD-4av6A:
undetectable		 4foxD-4av6A:
17.28
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.
4b6i SMA2266

(Serratia
marcescens) 		PF16695
(Tai4) 		6 SER A  66
LEU A  37
GLY A  76
PHE A  73
TYR A  83
ALA A 107
 None
 1.48A 4foxD-4b6iA:
undetectable		 4foxD-4b6iA:
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.
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
 1.15A 4foxD-4cpdA:
undetectable		 4foxD-4cpdA:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 GLU A  63
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)
 0.62A 4foxD-4dq1A:
36.1		 4foxD-4dq1A:
49.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 GLU A  63
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)
 0.86A 4foxD-4dq1A:
36.1		 4foxD-4dq1A:
49.37
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)
 1.05A 4foxD-4dq1A:
36.1		 4foxD-4dq1A:
49.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 SER A 215
ILE A 211
TYR A 335
VAL A 252
ALA A 251
 None
 1.03A 4foxD-4dqvA:
undetectable		 4foxD-4dqvA:
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.
4f7c CD1D ANTIGEN, D
POLYPEPTIDE

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 SER A  16
ILE A  96
GLY A 120
VAL A 123
ALA A 137
 None
0SG  A 306 ( 4.2A)
None
None
None
 1.18A 4foxD-4f7cA:
undetectable		 4foxD-4f7cA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		9 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
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)
 0.44A 4foxD-4fogA:
43.5		 4foxD-4fogA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 SER M 691
GLU M 693
ILE M 692
TRP M 728
LEU M 685
 None
 1.18A 4foxD-4gq2M:
undetectable		 4foxD-4gq2M:
14.48
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 ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 0.69A 4foxD-4h0uA:
40.4		 4foxD-4h0uA:
72.56
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 GLU A  61
ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.78A 4foxD-4h0uA:
40.4		 4foxD-4h0uA:
72.56
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 SER A  57
GLU A  61
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)
 0.74A 4foxD-4h0uA:
40.4		 4foxD-4h0uA:
72.56
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 SER A  57
GLU A  61
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)
 0.72A 4foxD-4h0uA:
40.4		 4foxD-4h0uA:
72.56
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 GLU A  89
ILE A 110
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.74A 4foxD-4iqqA:
35.9		 4foxD-4iqqA:
43.17
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)
 0.94A 4foxD-4iqqA:
35.9		 4foxD-4iqqA:
43.17
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 104
LEU A  38
GLY A  37
VAL A 316
ALA A 319
 None
 1.21A 4foxD-4j3zA:
undetectable		 4foxD-4j3zA:
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLU A 424
ILE A 426
ASP A 759
GLY A 757
VAL A 730
 None
 1.23A 4foxD-4l1mA:
undetectable		 4foxD-4l1mA:
20.61
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 GLU A 102
ILE A  98
GLY A 243
VAL A 274
ALA A 277
 None
 1.15A 4foxD-4my5A:
undetectable		 4foxD-4my5A:
20.25
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 315
LEU A 332
GLY A 333
VAL A 328
ALA A 327
 None
 1.21A 4foxD-4nzsA:
undetectable		 4foxD-4nzsA:
20.94
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.
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
 1.09A 4foxD-4r7kA:
undetectable		 4foxD-4r7kA:
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 433
GLY A 405
PHE A 404
VAL A  23
ALA A  22
 None
 1.20A 4foxD-4um8A:
undetectable		 4foxD-4um8A:
17.08
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.
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
 1.10A 4foxD-4uuoA:
undetectable		 4foxD-4uuoA:
22.81
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 GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.62A 4foxD-4xscA:
36.3		 4foxD-4xscA:
41.90
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 ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.99A 4foxD-4xscA:
36.3		 4foxD-4xscA:
41.90
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.
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
 1.08A 4foxD-4ymeA:
undetectable		 4foxD-4ymeA:
21.72
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.
4z36 LYSOPHOSPHATIDIC
ACID RECEPTOR
1,SOLUBLE CYTOCHROME
B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ILE A 176
LEU A 127
GLY A 126
TYR A 102
ALA A  98
 None
1WV  A2001 ( 4.7A)
1WV  A2001 ( 4.0A)
None
None
 1.15A 4foxD-4z36A:
undetectable		 4foxD-4z36A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 135
LEU A  76
GLY A  75
VAL A  80
ALA A  79
 None
 1.19A 4foxD-5agaA:
undetectable		 4foxD-5agaA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		5 ILE A 147
LEU A  89
GLY A  88
VAL A 199
ALA A 200
 None
 1.23A 4foxD-5an9A:
undetectable		 4foxD-5an9A:
19.11
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 GLU A  81
ILE A 102
ASP A 212
GLY A 216
TYR A 252
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.85A 4foxD-5by6A:
35.9		 4foxD-5by6A:
45.60
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.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE B 314
LEU B 331
GLY B 332
VAL B 327
ALA B 326
 None
 1.24A 4foxD-5f38B:
undetectable		 4foxD-5f38B:
23.43
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.
5fsy MACRODOMAIN

(Trypanosoma
brucei) 		PF01661
(Macro) 		5 GLU A 234
ILE A  98
LEU A 226
GLY A 227
VAL A 260
 None
 1.11A 4foxD-5fsyA:
undetectable		 4foxD-5fsyA:
24.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 GLU A 111
ILE A 132
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.63A 4foxD-5h3aA:
35.8		 4foxD-5h3aA:
49.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hx0 UNCHARACTERIZED
PROTEIN DFER_1899

(Dyadobacter
fermentans) 		PF13088
(BNR_2) 		5 GLU A 302
ILE A 288
ASP A 345
LEU A 339
ALA A 341
 None
 1.22A 4foxD-5hx0A:
undetectable		 4foxD-5hx0A:
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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		5 ILE A 194
LEU A 203
GLY A 197
VAL A  49
ALA A  48
 None
 1.20A 4foxD-5ir2A:
undetectable		 4foxD-5ir2A:
23.02
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 GLU A  59
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.59A 4foxD-5j7wA:
36.1		 4foxD-5j7wA:
52.38
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 ASP A 208
LEU A 214
PHE A 217
VAL A 182
ALA A 181
 None
None
None
LLP  A  42 ( 4.0A)
None
 1.11A 4foxD-5jjcA:
undetectable		 4foxD-5jjcA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 SER A 256
ILE A 265
GLY A 287
VAL A 320
ALA A 325
 None
 0.86A 4foxD-5n6mA:
undetectable		 4foxD-5n6mA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5njj PROTEIN NUMB HOMOLOG

(Homo sapiens) 		no annotation 5 GLU A 112
LEU A  95
GLY A  94
VAL A 158
ALA A 157
 None
 1.15A 4foxD-5njjA:
undetectable		 4foxD-5njjA:
16.27
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
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)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.50A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
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)
 0.77A 4foxD-5t0lA:
38.8		 4foxD-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj6 HIGH CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL

(Aplysia
californica) 		PF00520
(Ion_trans)
PF03493
(BK_channel_a) 		5 GLU A1008
LEU A 992
GLY A1001
PHE A1000
VAL A1059
 None
 1.16A 4foxD-5tj6A:
undetectable		 4foxD-5tj6A:
12.92
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.
5ubm COMPLEMENT C1S
SUBCOMPONENT
GIGASTASIN

(Haementeria
ghilianii;
Homo sapiens) 		no annotation 5 LEU A 664
GLY A 656
PHE I  62
TYR A 665
ALA A 619
 None
 1.03A 4foxD-5ubmA:
undetectable		 4foxD-5ubmA:
23.13
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.
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 4foxD-5vf3A:
undetectable		 4foxD-5vf3A:
19.60
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 475
PHE A 296
TYR A 492
VAL A 356
ALA A 318
 None
None
UDP  A 801 (-3.2A)
None
UDP  A 801 ( 4.3A)
 1.14A 4foxD-5vncA:
undetectable		 4foxD-5vncA:
15.85
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.
5x87 BESTROPHIN

(Klebsiella
pneumoniae) 		no annotation 5 SER A 246
ILE A 245
GLY A  61
VAL A  54
ALA A  55
 None
 1.19A 4foxD-5x87A:
undetectable		 4foxD-5x87A:
21.36
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.
5z8n -

(-) 		no annotation 5 ILE A 109
LEU A  38
GLY A 106
VAL A  50
ALA A  51
 None
 1.23A 4foxD-5z8nA:
undetectable		 4foxD-5z8nA:
undetectable
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 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.68A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
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 SER A  54
GLU A  58
ILE A  79
ASP A 169
LEU A 172
GLY A 173
VAL A 262
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
None
 1.17A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
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 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
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)
UMP  A 702 ( 4.2A)
 0.96A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00
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 SER A  54
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
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
 1.29A 4foxD-6cdzA:
40.3		 4foxD-6cdzA:
60.00