SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOX_H_D16H301_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 4foxH-1b5dA:
19.0		 4foxH-1b5dA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		6 GLU A  65
ILE A  86
TRP A  87
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.76A 4foxH-1ci7A:
36.3		 4foxH-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		6 ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.98A 4foxH-1ci7A:
36.3		 4foxH-1ci7A:
45.00
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) 		6 GLU A  87
ILE A 108
TRP A 109
ASP A 218
GLY A 222
TYR A 258
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.35A 4foxH-1hvyA:
38.1		 4foxH-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) 		6 ILE A 108
TRP A 109
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.68A 4foxH-1hvyA:
38.1		 4foxH-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 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)
 0.93A 4foxH-1j3jC:
35.3		 4foxH-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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
 None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
 1.30A 4foxH-1s1fA:
0.0		 4foxH-1s1fA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 GLU A  79
ILE A 100
TRP A 101
ASP A 219
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 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.25A 4foxH-2aazA:
undetectable		 4foxH-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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 356
ILE A 412
GLY A 415
PHE A 414
TYR A  12
 None
 1.37A 4foxH-2gp6A:
undetectable		 4foxH-2gp6A:
22.86
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 295
ILE A 316
ASP A 426
GLY A 430
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.68A 4foxH-2h2qA:
34.2		 4foxH-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)
 0.81A 4foxH-2h2qA:
34.2		 4foxH-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.
2ncj UNCHARACTERIZED
PROTEIN

(Cronobacter
sakazakii) 		PF07445
(PriC) 		5 SER A  31
ILE A  21
ASP A  48
GLY A  43
PHE A  34
 None
 1.48A 4foxH-2ncjA:
undetectable		 4foxH-2ncjA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 GLU A 294
ILE A 315
TRP A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.54A 4foxH-2oipA:
37.8		 4foxH-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.
2qyc FERREDOXIN-LIKE
PROTEIN

(Bordetella
bronchiseptica) 		PF07876
(Dabb) 		5 HIS A   6
SER A  60
ASP A  36
GLY A  37
PHE A  62
 EDO  A 104 ( 4.0A)
None
None
None
None
 1.42A 4foxH-2qycA:
undetectable		 4foxH-2qycA:
16.28
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
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 None
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.68A 4foxH-2tddA:
35.1		 4foxH-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
ASP A 221
GLY A 225
PHE A 228
 None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.89A 4foxH-2tddA:
35.1		 4foxH-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)
 0.95A 4foxH-2tddA:
35.1		 4foxH-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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		5 HIS A 412
GLU A 301
ILE A 407
ASP A 366
TYR A 369
 TPO  A 297 ( 4.0A)
TPO  A 297 ( 4.7A)
TPO  A 297 ( 4.8A)
None
None
 1.48A 4foxH-2w8dA:
undetectable		 4foxH-2w8dA:
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.
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)
 1.25A 4foxH-2xf8A:
undetectable		 4foxH-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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 SER A 202
ILE A 647
ASP A 618
GLY A 617
PHE A 648
 None
None
GOL  A 825 ( 4.8A)
None
None
 1.26A 4foxH-3cf4A:
undetectable		 4foxH-3cf4A:
15.00
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.
3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Brucella
abortus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.30A 4foxH-3docA:
undetectable		 4foxH-3docA:
22.10
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 HIS A  51
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
 0.85A 4foxH-3ix6A:
35.3		 4foxH-3ix6A:
46.67
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 SER A 281
GLU A 285
ILE A 306
TRP A 307
ASP A 416
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
 0.45A 4foxH-3kjrA:
37.9		 4foxH-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.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 336 (-3.4A)
NAD  A 336 (-3.8A)
None
None
NAD  A 336 (-3.6A)
 1.25A 4foxH-3l0dA:
undetectable		 4foxH-3l0dA:
22.38
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 330
GLU A 303
ILE A 331
ASP A 355
GLY A 354
 GOL  A 513 (-4.1A)
None
None
None
None
 1.34A 4foxH-3ramA:
undetectable		 4foxH-3ramA:
23.80
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.
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)
 0.93A 4foxH-3um6A:
35.5		 4foxH-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) 		5 SER A  54
GLU A  58
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.71A 4foxH-3v8hA:
34.5		 4foxH-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)
 1.39A 4foxH-3v8hA:
34.5		 4foxH-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.
4f0u ALLOPHYCOCYANIN
ALPHA CHAIN
ALLOPHYCOCYANIN,
BETA SUBUNIT

(Synechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 SER A   3
ILE B   5
ASP A  35
GLY A  34
PHE A  30
 None
 1.44A 4foxH-4f0uA:
undetectable		 4foxH-4f0uA:
20.45
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) 		10 HIS A  51
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 (-3.9A)
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)
 0.46A 4foxH-4fogA:
43.1		 4foxH-4fogA:
100.00
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 HIS A  54
ASP A 172
GLY A 176
PHE A 179
TYR A 212
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.79A 4foxH-4h0uA:
39.9		 4foxH-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) 		7 HIS A  54
SER A  57
GLU A  61
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.87A 4foxH-4h0uA:
39.9		 4foxH-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) 		5 HIS A  54
SER A  57
GLU A  61
ILE A  82
TRP A  83
 None
 0.60A 4foxH-4h0uA:
39.9		 4foxH-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 ILE A 110
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.94A 4foxH-4iqqA:
36.0		 4foxH-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.
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
 1.30A 4foxH-4krfA:
undetectable		 4foxH-4krfA:
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 SER A 218
ILE A  61
ASP A 139
GLY A  69
PHE A  65
 None
 1.22A 4foxH-4m0dA:
undetectable		 4foxH-4m0dA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 HIS A 459
SER A 489
ILE A 463
ASP A 501
GLY A 369
 B12  A 803 (-4.0A)
B12  A 803 (-3.1A)
B12  A 803 (-4.5A)
None
None
 1.41A 4foxH-4rasA:
undetectable		 4foxH-4rasA:
15.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 GLU A  75
ILE A  96
ASP A 206
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.72A 4foxH-4xscA:
36.2		 4foxH-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 GLU A  75
ILE A  96
TRP A  97
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.83A 4foxH-4xscA:
36.2		 4foxH-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)
 0.97A 4foxH-4xscA:
36.2		 4foxH-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
TRP A  97
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.18A 4foxH-4xscA:
36.2		 4foxH-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.
5bym SUPPRESSOR PROTEIN
MPT5

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 SER A 206
ILE A 205
ASP A 221
GLY A 224
PHE A 227
 None
 1.26A 4foxH-5bymA:
undetectable		 4foxH-5bymA:
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		5 HIS A  60
GLU A 125
TRP A 203
GLY B  67
TYR A 338
 HEM  A 502 (-3.1A)
None
HEM  A 501 (-4.7A)
None
None
 1.19A 4foxH-5djqA:
undetectable		 4foxH-5djqA:
18.58
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)
 0.74A 4foxH-5h3aA:
35.7		 4foxH-5h3aA:
49.82
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)
 1.02A 4foxH-5h3aA:
35.7		 4foxH-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.
5i3e PUTATIVE
DEOXYRIBONUCLEASE-2

(Burkholderia
thailandensis) 		PF03265
(DNase_II) 		5 SER A 197
ILE A 211
TRP A 222
ASP A 295
GLY A 307
 None
None
None
EDO  A 400 (-2.7A)
EDO  A 400 ( 4.8A)
 1.41A 4foxH-5i3eA:
undetectable		 4foxH-5i3eA:
22.25
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 HIS A 920
TRP A 652
ASP A 697
GLY A 696
PHE A 694
 None
 1.33A 4foxH-5nprA:
undetectable		 4foxH-5nprA:
12.60
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 381
ILE A 402
TRP A 403
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.49A 4foxH-5t0lA:
37.4		 4foxH-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) 		5 ILE A 402
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.75A 4foxH-5t0lA:
37.4		 4foxH-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.
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
 1.31A 4foxH-5vm9A:
undetectable		 4foxH-5vm9A:
14.85
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) 		6 HIS A  59
SER A  62
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 None
None
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.13A 4foxH-6aujA:
35.2		 4foxH-6aujA:
61.40
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
SER A  62
GLU A  66
ILE A  87
TRP A  88
 None
None
PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
 0.43A 4foxH-6aujA:
35.2		 4foxH-6aujA:
61.40
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
SER A  62
ILE A  87
TRP A  88
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 (-3.7A)
 0.93A 4foxH-6aujA:
35.2		 4foxH-6aujA:
61.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
GLU A  58
ILE A  79
ASP A 169
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 (-3.3A)
UMP  A 702 ( 4.2A)
 0.62A 4foxH-6cdzA:
39.7		 4foxH-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 6 SER A  54
ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.87A 4foxH-6cdzA:
39.7		 4foxH-6cdzA:
60.00
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 HIS B 464
SER B 144
ASP B 582
GLY B 583
PHE B 585
 None
 1.41A 4foxH-6f0kB:
undetectable		 4foxH-6f0kB:
18.11
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 HIS A2355
ILE A2366
GLY A2369
PHE A2368
TYR A2266
 None
 1.28A 4foxH-6fayA:
undetectable		 4foxH-6fayA:
18.72