SIMILAR PATTERNS OF AMINO ACIDS FOR 3NRR_B_D16B530_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.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
ASP A 184
LEU A 187
GLY A 188
TYR A 224
 None
 0.99A 3nrrB-1bsfA:
0.0		 3nrrB-1bsfA:
24.55
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.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ALA A  64
GLU A  71
ASP A 184
GLY A 188
TYR A 224
 None
 0.92A 3nrrB-1bsfA:
0.0		 3nrrB-1bsfA:
24.55
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) 		8 GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.69A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
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
ASN A  90
ASP A 202
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.57A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
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
ASN A  90
ASP A 202
GLY A 206
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.92A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
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
ASN A  90
ASP A 202
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.98A 3nrrB-1ci7A:
14.3		 3nrrB-1ci7A:
32.18
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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 149
SER A  69
ASN A   5
LEU A 125
GLY A  65
 None
 1.21A 3nrrB-1e3jA:
2.5		 3nrrB-1e3jA:
21.23
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.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 ALA A 109
ILE A 121
ASN A 125
LEU A 143
PHE A 147
 None
 1.24A 3nrrB-1ek2A:
1.9		 3nrrB-1ek2A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 SER A 117
ILE A 108
TRP A 123
LEU A 104
MET A 130
 None
 1.24A 3nrrB-1gajA:
1.9		 3nrrB-1gajA:
20.19
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 GLU A  87
ILE A 108
TRP A 109
ASN A 112
ASP A 218
LEU A 221
GLY A 222
TYR A 258
MET A 311
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
 0.50A 3nrrB-1hvyA:
20.0		 3nrrB-1hvyA:
51.27
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
ASN A 112
ASP A 218
GLY A 222
PHE A 225
TYR A 258
MET A 311
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
 0.88A 3nrrB-1hvyA:
20.0		 3nrrB-1hvyA:
51.27
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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		5 ALA A  47
SER A  54
LEU A  20
GLY A  14
PHE A  35
 None
 1.10A 3nrrB-1hxhA:
1.7		 3nrrB-1hxhA:
18.45
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 ASN C 407
ASP C 513
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.78A 3nrrB-1j3jC:
14.2		 3nrrB-1j3jC:
39.03
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 3nrrB-1j3jC:
14.2		 3nrrB-1j3jC:
39.03
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 GLU C 382
ILE C 403
ASN C 407
ASP C 513
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.92A 3nrrB-1j3jC:
14.2		 3nrrB-1j3jC:
39.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 ALA A 132
SER A  95
ILE A 104
LEU A  21
PHE A 102
 None
 1.20A 3nrrB-1mqqA:
0.0		 3nrrB-1mqqA:
22.21
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.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ALA A  51
ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 1.13A 3nrrB-1tisA:
9.2		 3nrrB-1tisA:
25.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 ALA A1044
SER A1042
ASP A1193
LEU A1214
TYR A1141
 None
 1.00A 3nrrB-1wv2A:
undetectable		 3nrrB-1wv2A:
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  58
SER A   9
ILE A 286
LEU A 276
GLY A 279
 None
 1.16A 3nrrB-1x9eA:
undetectable		 3nrrB-1x9eA:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		10 GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.49A 3nrrB-2aazA:
undetectable		 3nrrB-2aazA:
31.43
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 ALA A 178
SER A 149
ILE A 135
LEU A 170
GLY A 171
 None
 1.24A 3nrrB-2b4wA:
undetectable		 3nrrB-2b4wA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7k SCO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF02630
(SCO1-SenC) 		5 ALA A 215
ILE A 141
GLY A 144
PHE A 143
TYR A 194
 None
 1.04A 3nrrB-2b7kA:
undetectable		 3nrrB-2b7kA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA B 412
ILE B 438
ASN B 479
GLY B 394
PHE B 393
 None
 1.21A 3nrrB-2bkuB:
undetectable		 3nrrB-2bkuB:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
ASN A 320
ASP A 426
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.69A 3nrrB-2h2qA:
17.2		 3nrrB-2h2qA:
39.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 316
ASN A 320
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.99A 3nrrB-2h2qA:
17.2		 3nrrB-2h2qA:
39.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ALA A 287
GLU A 294
ILE A 315
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
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 ( 3.5A)
 0.54A 3nrrB-2oipA:
44.3		 3nrrB-2oipA:
46.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ALA A 287
GLU A 294
ILE A 315
TRP A 316
ASN A 319
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.2A)
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.52A 3nrrB-2oipA:
44.3		 3nrrB-2oipA:
46.01
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 ALA A  83
GLU A 398
LEU A 220
GLY A 391
PHE A 394
 None
 1.09A 3nrrB-2q8nA:
undetectable		 3nrrB-2q8nA:
21.31
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 ILE A 410
ASN A 307
GLY A  85
PHE A 348
TYR A 140
 None
 1.23A 3nrrB-2qgmA:
2.3		 3nrrB-2qgmA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rin PUTATIVE GLYCINE
BETAINE-BINDING ABC
TRANSPORTER PROTEIN

(Sinorhizobium
meliloti) 		PF04069
(OpuAC) 		5 SER A 181
GLU A 153
ILE A 152
TRP A  43
GLY A 158
 None
ACH  A   1 ( 4.6A)
None
ACH  A   1 (-3.2A)
ACH  A   1 (-4.0A)
 1.19A 3nrrB-2rinA:
undetectable		 3nrrB-2rinA:
21.09
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.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 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)
 0.73A 3nrrB-2tddA:
35.0		 3nrrB-2tddA:
28.86
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.
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)
 0.63A 3nrrB-2tddA:
35.0		 3nrrB-2tddA:
28.86
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.
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)
 0.81A 3nrrB-2tddA:
35.0		 3nrrB-2tddA:
28.86
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.
2wja PUTATIVE ACID
PHOSPHATASE WZB

(Escherichia
coli) 		PF01451
(LMWPc) 		5 ALA A  77
SER A  74
ILE A  97
GLY A  40
PHE A  72
 None
 1.20A 3nrrB-2wjaA:
undetectable		 3nrrB-2wjaA:
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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		5 ALA A 324
ILE A 257
ASN A 255
LEU A 203
TYR A 180
 None
 0.97A 3nrrB-3caxA:
undetectable		 3nrrB-3caxA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fwy LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Rhodobacter
sphaeroides) 		PF00142
(Fer4_NifH) 		5 ALA A  35
ILE A 190
ASN A 188
LEU A 205
GLY A 207
 None
 1.05A 3nrrB-3fwyA:
3.5		 3nrrB-3fwyA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 SER A 204
ASN A 116
PHE A 120
TYR A 160
MET A 152
 None
NFM  A 401 ( 4.8A)
None
None
None
 1.07A 3nrrB-3ix1A:
undetectable		 3nrrB-3ix1A:
21.87
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
 0.50A 3nrrB-3ix6A:
33.7		 3nrrB-3ix6A:
34.69
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		5 ALA 1 492
GLU 1 434
ILE 1 430
GLY 1 428
PHE 1 401
 None
 0.96A 3nrrB-3izq1:
undetectable		 3nrrB-3izq1:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9h PF-32 PROTEIN

(Borreliella
burgdorferi) 		PF13614
(AAA_31) 		5 ALA A  12
ILE A 179
ASP A 164
LEU A 163
PHE A 166
 None
 1.20A 3nrrB-3k9hA:
undetectable		 3nrrB-3k9hA:
20.61
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
 1.03A 3nrrB-3kgbA:
36.1		 3nrrB-3kgbA:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 ALA A 278
SER A 281
GLU A 285
ILE A 306
ASN A 310
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
MET A 509
 None
None
GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.60A 3nrrB-3kjrA:
52.4		 3nrrB-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 ALA A 278
SER A 281
GLU A 285
ILE A 306
TRP A 307
ASN A 310
ASP A 416
GLY A 420
PHE A 423
TYR A 456
MET A 509
 None
None
GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.61A 3nrrB-3kjrA:
52.4		 3nrrB-3kjrA:
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.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 ALA A  45
GLU A  36
ILE A  13
ASP A 262
GLY A 259
 None
None
None
UNL  A 503 ( 3.5A)
None
 1.21A 3nrrB-3lotA:
undetectable		 3nrrB-3lotA:
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.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 151
SER A  71
ASN A   7
LEU A 127
GLY A  67
 None
 1.24A 3nrrB-3qe3A:
2.5		 3nrrB-3qe3A:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASN A 407
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.74A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.44A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.92A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 ALA A  51
SER A  54
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 1.02A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 ALA A  51
SER A  54
GLU A  58
ASN A  83
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.79A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 ALA A  51
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.84A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 ALA A  51
SER A  54
GLU A  58
TRP A  80
ASN A  83
 None
 0.77A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 ALA A  51
SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.15A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 ALA A  51
SER A  54
TRP A  80
ASN A  83
PHE A 224
 None
 0.92A 3nrrB-3v8hA:
35.0		 3nrrB-3v8hA:
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ALA A 378
SER A 456
ASN A  29
LEU A  24
PHE A 374
 None
 1.23A 3nrrB-4b8sA:
undetectable		 3nrrB-4b8sA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		8 SER A  54
GLU A  58
ILE A  79
TRP A  80
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 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.50A 3nrrB-4fogA:
38.3		 3nrrB-4fogA:
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 ALA A 222
ILE A 233
LEU A 248
GLY A 225
TYR A 407
 None
None
None
NAD  A 601 (-3.5A)
None
 1.10A 3nrrB-4go4A:
2.2		 3nrrB-4go4A:
24.74
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.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 SER A  57
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)
 0.98A 3nrrB-4h0uA:
36.7		 3nrrB-4h0uA:
27.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 SER A  57
GLU A  61
ASP A 172
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.88A 3nrrB-4h0uA:
36.7		 3nrrB-4h0uA:
27.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 SER A  57
GLU A  61
ILE A  82
ASP A 172
TYR A 212
 None
None
None
None
UMP  A 301 (-4.5A)
 0.83A 3nrrB-4h0uA:
36.7		 3nrrB-4h0uA:
27.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 ALA A 237
ILE A 248
LEU A 263
GLY A 240
TYR A 421
 None
None
None
NAD  A 601 (-3.2A)
None
 1.02A 3nrrB-4i8pA:
2.1		 3nrrB-4i8pA:
22.30
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) 		5 GLU A  89
ILE A 110
ASN A 114
LEU A 223
GLY A 224
 None
D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
 0.84A 3nrrB-4iqqA:
14.8		 3nrrB-4iqqA:
35.35
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 GLU A  89
ILE A 110
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.70A 3nrrB-4iqqA:
14.8		 3nrrB-4iqqA:
35.35
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
ASN A 114
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)
 1.21A 3nrrB-4iqqA:
14.8		 3nrrB-4iqqA:
35.35
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)
 1.02A 3nrrB-4iqqA:
14.8		 3nrrB-4iqqA:
35.35
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.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 242
ILE A 253
LEU A 269
GLY A 245
TYR A 425
 None
 1.02A 3nrrB-4kwgA:
2.2		 3nrrB-4kwgA:
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 230
ILE A 234
GLY A 102
PHE A 101
TYR A 110
 None
 1.21A 3nrrB-4l1fA:
undetectable		 3nrrB-4l1fA:
20.80
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ALA A 240
ILE A 251
LEU A 267
GLY A 243
TYR A 424
 None
 1.18A 3nrrB-4lihA:
undetectable		 3nrrB-4lihA:
21.37
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 419
ASP A  27
LEU A  29
GLY A  59
PHE A  60
 None
 1.18A 3nrrB-4lnfA:
undetectable		 3nrrB-4lnfA:
22.45
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.
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 3nrrB-4m0dA:
undetectable		 3nrrB-4m0dA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ALA A 250
ILE A 261
LEU A 276
GLY A 253
TYR A 432
 None
 1.02A 3nrrB-4o5hA:
3.0		 3nrrB-4o5hA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ALA A 230
ILE A 197
LEU A 237
GLY A 236
MET A 262
 None
 1.10A 3nrrB-4pzcA:
undetectable		 3nrrB-4pzcA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ALA A 242
ILE A 253
LEU A 268
GLY A 245
TYR A 426
 None
 1.13A 3nrrB-4qyjA:
2.1		 3nrrB-4qyjA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.98A 3nrrB-4rkuB:
undetectable		 3nrrB-4rkuB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A 100
SER A  99
ILE A  64
LEU A 107
GLY A 106
 CIT  A 401 (-3.8A)
CIT  A 401 (-2.8A)
None
None
None
 1.09A 3nrrB-4rpfA:
undetectable		 3nrrB-4rpfA:
18.32
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.
4s1n PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00551
(Formyl_trans_N) 		5 ALA A 118
SER A 126
ILE A 163
ASP A 157
PHE A 159
 None
 0.94A 3nrrB-4s1nA:
2.9		 3nrrB-4s1nA:
17.77
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 ALA A  71
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.06A 3nrrB-4xscA:
11.4		 3nrrB-4xscA:
33.86
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)
 0.64A 3nrrB-4xscA:
11.4		 3nrrB-4xscA:
33.86
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)
 1.11A 3nrrB-4xscA:
11.4		 3nrrB-4xscA:
33.86
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
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.70A 3nrrB-4xscA:
11.4		 3nrrB-4xscA:
33.86
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.
5abm RETINAL
DEHYDROGENASE 1

(Ovis aries) 		PF00171
(Aldedh) 		5 ALA A 242
ILE A 253
LEU A 269
GLY A 245
TYR A 425
 None
None
None
TXE  A 501 (-3.6A)
None
 1.06A 3nrrB-5abmA:
2.3		 3nrrB-5abmA:
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.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 ALA A  80
ILE A  65
ASN A 136
LEU A  54
GLY A  53
 None
None
SO4  A 403 ( 4.0A)
GOL  A 407 (-4.4A)
None
 1.15A 3nrrB-5b1hA:
undetectable		 3nrrB-5b1hA:
20.19
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
ASN A 106
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)
 0.93A 3nrrB-5by6A:
14.6		 3nrrB-5by6A:
33.20
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)
 0.88A 3nrrB-5by6A:
14.6		 3nrrB-5by6A:
33.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 ALA A1746
SER A1789
ILE A1754
ASN A1774
GLY A1736
 None
None
None
COA  A2303 ( 4.7A)
None
 1.23A 3nrrB-5cslA:
undetectable		 3nrrB-5cslA:
12.88
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.
5ee2 HEMOGLOBIN-HAPTOGLOB
IN-UTILIZATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF16960
(HpuA) 		5 SER A 325
ILE A 199
ASN A 242
ASP A 331
LEU A 330
 None
 1.12A 3nrrB-5ee2A:
undetectable		 3nrrB-5ee2A:
16.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 GLU A 111
ILE A 132
ASN A 136
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.88A 3nrrB-5h3aA:
undetectable		 3nrrB-5h3aA:
30.59
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)
 0.64A 3nrrB-5h3aA:
undetectable		 3nrrB-5h3aA:
30.59
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.
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
 0.72A 3nrrB-5j7wA:
undetectable		 3nrrB-5j7wA:
28.96
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.
5jp9 CMP
5-HYDROXYMETHYLASE

(Streptomyces
rimofaciens) 		PF00303
(Thymidylat_synt) 		5 ALA A  60
GLU A  68
ASP A 178
GLY A 182
TYR A 218
 None
None
None
DCM  A 401 ( 3.7A)
None
 1.23A 3nrrB-5jp9A:
undetectable		 3nrrB-5jp9A:
19.96
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 451
ILE B 346
ASN B 282
ASP B 308
GLY B 307
 None
 1.25A 3nrrB-5l9wB:
undetectable		 3nrrB-5l9wB:
22.77
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 TRP b 579
ASN b 582
LEU b 432
GLY b 428
TYR b 435
 None
None
CLA  b1806 (-4.3A)
None
CLA  b1806 ( 4.4A)
 1.06A 3nrrB-5oy0b:
undetectable		 3nrrB-5oy0b:
12.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
 0.42A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
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 (-3.6A)
 0.79A 3nrrB-5t0lA:
undetectable		 3nrrB-5t0lA:
42.73
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.
5y6t ENDO-1,4-BETA-MANNAN
ASE

(Eisenia fetida) 		no annotation 5 ALA A 335
SER A  37
ILE A 372
GLY A 369
PHE A  35
 None
 1.13A 3nrrB-5y6tA:
undetectable		 3nrrB-5y6tA:
10.66
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.
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)
 0.57A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
 0.76A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
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.
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)
 0.94A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 SER A  54
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.14A 3nrrB-6cdzA:
undetectable		 3nrrB-6cdzA:
15.64
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 ALA A 109
ILE A 213
GLY A 267
PHE A 270
TYR A 281
 None
 1.18A 3nrrB-6f5dA:
undetectable		 3nrrB-6f5dA:
9.61