SIMILAR PATTERNS OF AMINO ACIDS FOR 6QXS_D_FOZD403

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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 LEU A 190
LEU A 144
LEU A 172
ILE A 182
ALA A 178
 None
 1.39A 6qxsD-1ac5A:
0.0		 6qxsD-1ac5A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 LEU A  58
LEU A  16
GLY A  12
ILE A  19
ALA A  18
 None
 1.17A 6qxsD-1b74A:
0.0		 6qxsD-1b74A:
24.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
TRP A  94
TRP A  97
GLY A 188
ASN A 192
 None
 0.75A 6qxsD-1bsfA:
30.5		 6qxsD-1bsfA:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 ILE A  93
TRP A  94
TRP A  97
LEU A 158
ASN A 192
 None
 1.01A 6qxsD-1bsfA:
30.5		 6qxsD-1bsfA:
33.03
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
LEU A 170
ASP A 202
LEU A 205
GLY A 206
ASN A 210
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
UMP  A 767 ( 2.6A)
 0.74A 6qxsD-1ci7A:
36.3		 6qxsD-1ci7A:
44.18
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 622
LEU B 538
GLY B 539
ILE B 507
ALA B 513
 None
 0.79A 6qxsD-1ffvB:
0.6		 6qxsD-1ffvB:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 PRO A 224
ILE A  18
LEU A   6
ASP A  33
GLY A  11
 None
None
None
NAD  A2001 (-2.8A)
NAD  A2001 ( 4.1A)
 1.32A 6qxsD-1gegA:
0.0		 6qxsD-1gegA:
20.25
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) 		5 ILE A 108
ASP A 218
GLY A 222
ASN A 226
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
D16  A 414 (-3.6A)
 0.63A 6qxsD-1hvyA:
38.4		 6qxsD-1hvyA:
48.77
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) 		5 ILE A 108
ASP A 218
LEU A 221
GLY A 222
ALA A 312
 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)
 0.79A 6qxsD-1hvyA:
38.4		 6qxsD-1hvyA:
48.77
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
LEU A 192
ASP A 218
GLY A 222
ASN A 226
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 (-3.0A)
 0.73A 6qxsD-1hvyA:
38.4		 6qxsD-1hvyA:
48.77
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 445
LEU A 204
GLY A 211
ILE A 422
ALA A 419
 None
 1.33A 6qxsD-1kqfA:
0.0		 6qxsD-1kqfA:
14.47
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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 LEU A  18
ILE A  50
LEU A 110
GLY A  22
ALA A 218
 None
 1.31A 6qxsD-1n3pA:
0.0		 6qxsD-1n3pA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttu LIN-12 AND GLP-1
TRANSCRIPTIONAL
REGULATOR

(Caenorhabditis
elegans) 		PF01833
(TIG)
PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 PRO A 369
LEU A 493
ILE A 539
ILE A 386
ALA A 387
 None
EDO  A  58 ( 4.7A)
None
None
None
 1.38A 6qxsD-1ttuA:
undetectable		 6qxsD-1ttuA:
19.46
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A  39
LEU A  83
ASP A  86
GLY A  29
ILE A 121
 None
 1.16A 6qxsD-1uj4A:
undetectable		 6qxsD-1uj4A:
22.74
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 105
ILE A  22
GLY A  17
ILE A 341
ALA A 342
 None
 1.00A 6qxsD-1v59A:
undetectable		 6qxsD-1v59A:
21.29
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 ILE A 234
GLY A 121
ASN A 125
ILE A 118
ALA A  22
 None
 1.28A 6qxsD-1vr0A:
undetectable		 6qxsD-1vr0A:
18.67
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 183
LEU A  98
LEU A  52
ASN A 204
ALA A 157
 None
 1.15A 6qxsD-1xocA:
undetectable		 6qxsD-1xocA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 LEU A 342
LEU A 337
GLY A 334
ILE A 407
ALA A 408
 None
 1.35A 6qxsD-1z3zA:
undetectable		 6qxsD-1z3zA:
23.57
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.
1zl0 HYPOTHETICAL PROTEIN
PA5198

(Pseudomonas
aeruginosa) 		PF02016
(Peptidase_S66) 		5 LEU A 188
LEU A 242
GLY A 243
ILE A 245
ALA A 270
 None
 1.33A 6qxsD-1zl0A:
undetectable		 6qxsD-1zl0A:
20.34
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 ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
UMP  A 350 ( 3.2A)
 0.50A 6qxsD-2aazA:
undetectable		 6qxsD-2aazA:
41.01
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.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 LEU A  83
ILE A  79
LEU A 279
ILE A 240
ALA A 241
 None
 1.32A 6qxsD-2c07A:
undetectable		 6qxsD-2c07A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2db0 253AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF02985
(HEAT) 		5 LEU A 183
ILE A 186
LEU A 162
LEU A 190
ALA A 199
 None
 1.18A 6qxsD-2db0A:
undetectable		 6qxsD-2db0A:
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 LEU A 227
GLY B 421
ASN A 204
ILE A 251
ALA A 252
 None
 1.28A 6qxsD-2e0xA:
undetectable		 6qxsD-2e0xA:
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 LEU A 227
ILE B 425
GLY B 421
ASN A 204
ALA A 252
 None
 1.26A 6qxsD-2e0xA:
undetectable		 6qxsD-2e0xA:
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		5 LEU A 273
ILE A 270
GLY A 265
ILE A 216
ALA A 215
 None
 1.20A 6qxsD-2gu0A:
undetectable		 6qxsD-2gu0A:
21.48
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
ASP A 426
LEU A 429
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.48A 6qxsD-2h2qA:
33.2		 6qxsD-2h2qA:
27.37
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
TRP A 317
LEU A 400
GLY A 430
ASN A 434
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-3.0A)
 0.69A 6qxsD-2h2qA:
33.2		 6qxsD-2h2qA:
27.37
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
ASN A 434
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 2.7A)
CB3  A 604 ( 4.0A)
 0.64A 6qxsD-2oipA:
37.8		 6qxsD-2oipA:
27.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 ILE A  19
LEU A 214
LEU A 158
GLY A 159
ILE A 154
 None
 1.05A 6qxsD-2p2vA:
undetectable		 6qxsD-2p2vA:
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 LEU A  88
ILE A 215
LEU A 207
GLY A 206
ASN A  81
 None
 1.13A 6qxsD-2q8nA:
undetectable		 6qxsD-2q8nA:
22.41
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.
2qnu UNCHARACTERIZED
PROTEIN PA0076

(Pseudomonas
aeruginosa) 		PF09867
(DUF2094) 		5 LEU A  21
LEU A  67
GLY A  68
ILE A  62
ALA A  63
 None
 1.32A 6qxsD-2qnuA:
undetectable		 6qxsD-2qnuA:
20.12
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 PRO A  53
ASP A 221
LEU A 224
GLY A 225
ASN A 229
 THF  A 568 (-4.4A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.53A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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 PRO A  53
LEU A  56
ILE A  81
ASP A 221
GLY A 225
ASN A 229
 THF  A 568 (-4.4A)
None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.63A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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 PRO A  53
LEU A  56
ILE A  81
LEU A 195
ASP A 221
GLY A 225
 THF  A 568 (-4.4A)
None
THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
 0.82A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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 PRO A  53
LEU A  56
ILE A  81
TRP A  82
GLY A 225
ASN A 229
 THF  A 568 (-4.4A)
None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-3.7A)
 0.62A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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 PRO A  53
LEU A  56
ILE A  81
TRP A  82
LEU A 195
GLY A 225
 THF  A 568 (-4.4A)
None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
 0.90A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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 PRO A  53
LEU A 195
ASP A 221
LEU A 224
GLY A 225
 THF  A 568 (-4.4A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
 0.88A 6qxsD-2tddA:
43.0		 6qxsD-2tddA:
73.33
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 PRO A 316
LEU A 319
ILE A 287
GLY A 201
ALA A 270
 None
None
None
FAD  A 618 (-4.0A)
None
 1.10A 6qxsD-2zxhA:
undetectable		 6qxsD-2zxhA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ajb PEROXISOMAL
BIOGENESIS FACTOR 3

(Homo sapiens) 		PF04882
(Peroxin-3) 		5 LEU A  84
ILE A 110
LEU A  93
ILE A 326
ALA A 323
 None
 1.35A 6qxsD-3ajbA:
undetectable		 6qxsD-3ajbA:
21.43
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  13
GLY A  43
ASN A  42
ILE A  18
ALA A  55
 None
 0.81A 6qxsD-3e6eA:
undetectable		 6qxsD-3e6eA:
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.
3fxa SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 LEU A 173
ILE A  40
LEU A  62
ASN A  67
ILE A  96
 None
 0.98A 6qxsD-3fxaA:
undetectable		 6qxsD-3fxaA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 222
LEU A 274
LEU A 176
ILE A 246
ALA A 247
 ILE  A 222 ( 0.6A)
LEU  A 274 ( 0.6A)
LEU  A 176 ( 0.6A)
ILE  A 246 ( 0.7A)
ALA  A 247 ( 0.0A)
 1.24A 6qxsD-3gnrA:
undetectable		 6qxsD-3gnrA:
20.66
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 LEU A 309
LEU A 390
GLY A 406
ILE A 351
ALA A 378
 None
 1.08A 6qxsD-3i16A:
undetectable		 6qxsD-3i16A:
21.57
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 LEU A 172
ILE A 175
LEU A 268
ILE A 282
ALA A 278
 None
 1.22A 6qxsD-3jzdA:
undetectable		 6qxsD-3jzdA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
ASN A 424
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
 0.50A 6qxsD-3kjrA:
38.1		 6qxsD-3kjrA:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 306
TRP A 307
LEU A 390
ASP A 416
LEU A 419
GLY A 420
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
 0.75A 6qxsD-3kjrA:
38.1		 6qxsD-3kjrA:
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 LEU A 148
ILE A 325
LEU A 322
ILE A 314
ALA A 311
 None
 1.27A 6qxsD-3mpnA:
undetectable		 6qxsD-3mpnA:
21.79
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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 LEU A 391
ILE A 395
LEU A 330
GLY A 331
ILE A 379
 None
 1.22A 6qxsD-3n0lA:
undetectable		 6qxsD-3n0lA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 376
LEU A 321
GLY A 320
ILE A 333
ALA A 330
 None
None
None
GOL  A 440 (-4.4A)
None
 1.16A 6qxsD-3nwrA:
undetectable		 6qxsD-3nwrA:
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.
3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Clostridium
aminobutyricum) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 PRO A 160
LEU A 288
GLY A 164
ILE A 267
ALA A 266
 None
 1.26A 6qxsD-3qdqA:
undetectable		 6qxsD-3qdqA:
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 540
ILE A 481
GLY A 397
ILE A 443
ALA A 442
 None
 1.20A 6qxsD-3uk1A:
undetectable		 6qxsD-3uk1A:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 LEU A 299
ASP A 121
LEU A  48
GLY A  47
ILE A 326
 None
 1.13A 6qxsD-3va8A:
undetectable		 6qxsD-3va8A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 LEU A 301
ASP A 123
LEU A  50
GLY A  49
ILE A 328
 None
 1.13A 6qxsD-3vdgA:
undetectable		 6qxsD-3vdgA:
22.76
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 PRO A 224
ILE A  18
LEU A   6
ASP A  33
GLY A  11
 None
None
None
NAD  A 301 (-2.8A)
NAD  A 301 ( 4.2A)
 1.30A 6qxsD-3wyeA:
undetectable		 6qxsD-3wyeA:
22.39
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 LEU A 192
ILE A 210
GLY A  14
ASN A 199
ALA A  54
 None
 1.15A 6qxsD-4a0mA:
undetectable		 6qxsD-4a0mA:
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		5 LEU A 337
LEU A 400
LEU A 382
GLY A 310
ASN A 307
 None
 1.26A 6qxsD-4at0A:
undetectable		 6qxsD-4at0A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 269
LEU A 228
GLY A 227
ILE A 253
ALA A 304
 None
 1.32A 6qxsD-4az7A:
undetectable		 6qxsD-4az7A:
22.73
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU A 714
LEU A 673
GLY A 672
ILE A 698
ALA A 749
 None
 1.30A 6qxsD-4azcA:
undetectable		 6qxsD-4azcA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7o SIGNAL RECOGNITION
PARTICLE PROTEIN

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 PRO A 214
LEU A 104
LEU A 242
GLY A 244
ALA A 233
 None
 1.01A 6qxsD-4c7oA:
undetectable		 6qxsD-4c7oA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 LEU A  59
LEU A 198
ASP A 224
LEU A 227
GLY A 228
ASN A 232
 None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-2.7A)
 0.57A 6qxsD-4dq1A:
39.2		 6qxsD-4dq1A:
65.52
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) 		7 ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.51A 6qxsD-4fogA:
38.0		 6qxsD-4fogA:
52.38
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 ILE A  82
TRP A  83
LEU A 146
GLY A 176
ASN A 180
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-3.0A)
 0.71A 6qxsD-4h0uA:
36.0		 6qxsD-4h0uA:
52.37
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 300
ASP A 120
LEU A  45
GLY A  44
ILE A 327
 None
 1.15A 6qxsD-4it1A:
undetectable		 6qxsD-4it1A:
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.
4j0x RIBOSOMAL
RNA-PROCESSING
PROTEIN 9

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 LEU A 478
LEU A 140
LEU A 496
ILE A 539
ALA A 566
 None
 1.35A 6qxsD-4j0xA:
undetectable		 6qxsD-4j0xA:
20.57
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ILE A 465
GLY A 470
ASN A 469
ILE A 498
ALA A 509
 None
 1.17A 6qxsD-4l1mA:
undetectable		 6qxsD-4l1mA:
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 319
ILE A 295
LEU A 252
ASP A 255
GLY A 278
 None
 1.17A 6qxsD-4mnaA:
undetectable		 6qxsD-4mnaA:
20.43
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 LEU A 189
LEU A 169
GLY A 167
ILE A 116
ALA A 117
 None
 1.02A 6qxsD-4ofwA:
undetectable		 6qxsD-4ofwA:
20.78
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 228
LEU A  65
GLY A  89
ASN A 173
ILE A  80
 None
 1.14A 6qxsD-4wv3A:
undetectable		 6qxsD-4wv3A:
21.28
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.
4xci THERMOSOME SUBUNIT
ALPHA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 LEU A 132
LEU A 413
GLY A 139
ILE A 419
ALA A 418
 None
 1.36A 6qxsD-4xciA:
undetectable		 6qxsD-4xciA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		5 LEU A 406
ILE A 422
ASP A 378
GLY A 380
ASN A 384
 None
 1.34A 6qxsD-4xkqA:
undetectable		 6qxsD-4xkqA:
19.79
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 213
ILE A 252
LEU A 268
GLY A 267
ILE A 270
 None
 1.22A 6qxsD-4xmvA:
undetectable		 6qxsD-4xmvA:
18.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
ASN A 214
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-2.8A)
 0.55A 6qxsD-4xscA:
34.5		 6qxsD-4xscA:
41.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		5 LEU A 238
LEU A 172
GLY A 173
ILE A 168
ALA A 106
 None
 1.10A 6qxsD-4xuvA:
undetectable		 6qxsD-4xuvA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5btb AFR263CP

(Eremothecium
gossypii) 		PF08652
(RAI1) 		5 PRO A 293
ILE A 309
LEU A 210
LEU A 260
ILE A 113
 None
 1.05A 6qxsD-5btbA:
undetectable		 6qxsD-5btbA:
20.42
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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 LEU A1526
LEU A1475
GLY A1472
ILE A1468
ALA A1467
 None
 1.07A 6qxsD-5cwvA:
undetectable		 6qxsD-5cwvA:
20.90
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 LEU A 388
LEU A 192
LEU A 394
GLY A 393
ALA A 154
 OLA  A1204 (-3.7A)
OLA  A1207 ( 4.5A)
OLA  A1204 ( 4.3A)
None
None
 1.25A 6qxsD-5ee7A:
undetectable		 6qxsD-5ee7A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 300
ILE A 306
GLY A 314
ILE A 376
ALA A 366
 None
 1.12A 6qxsD-5facA:
undetectable		 6qxsD-5facA:
22.33
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.
5ff9 NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 LEU A  45
ILE A  41
LEU A 244
ILE A 203
ALA A 204
 None
 1.40A 6qxsD-5ff9A:
undetectable		 6qxsD-5ff9A:
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 392
LEU A 504
LEU A 399
ILE A 317
ALA A 364
 None
 1.06A 6qxsD-5gn5A:
undetectable		 6qxsD-5gn5A:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 ILE A 132
TRP A 133
LEU A 216
GLY A 246
ASN A 250
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-3.2A)
 0.55A 6qxsD-5h3aA:
34.7		 6qxsD-5h3aA:
45.48
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 LEU C 428
ILE C 290
LEU C 298
GLY C 296
ASN C 368
 None
None
None
None
SFG  C1002 (-4.1A)
 1.00A 6qxsD-5hr4C:
undetectable		 6qxsD-5hr4C:
15.85
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) 		7 PRO A  52
LEU A  55
ASP A 220
LEU A 223
GLY A 224
ASN A 228
ILE A 313
 None
 0.48A 6qxsD-5j7wA:
38.5		 6qxsD-5j7wA:
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 LEU B  70
ILE B 152
LEU B 143
GLY B 117
ALA B 168
 None
 1.30A 6qxsD-5kswB:
undetectable		 6qxsD-5kswB:
21.75
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 LEU B  70
ILE B 152
LEU B 143
GLY B 118
ALA B 168
 None
 1.16A 6qxsD-5kswB:
undetectable		 6qxsD-5kswB:
21.75
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 LEU A 250
ILE A 313
LEU A 269
GLY A 268
ALA A 305
 None
 0.85A 6qxsD-5m49A:
undetectable		 6qxsD-5m49A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 LEU A 638
LEU A 554
GLY A 555
ILE A 550
ALA A 590
 None
 1.41A 6qxsD-5mu5A:
undetectable		 6qxsD-5mu5A:
19.38
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 556
LEU B 566
LEU B 538
GLY B 507
ILE B 520
 None
 1.40A 6qxsD-5my0B:
undetectable		 6qxsD-5my0B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 LEU A 250
ILE A 254
LEU A 262
GLY A 315
ALA A 308
 None
GOL  A 511 ( 4.4A)
HEM  A 505 ( 4.0A)
GOL  A 511 (-3.3A)
LFA  A 507 (-3.6A)
 1.28A 6qxsD-5o0tA:
undetectable		 6qxsD-5o0tA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 PRO A  90
ASP A  96
LEU A  97
GLY A  95
ALA A  65
 None
 0.98A 6qxsD-5o1mA:
undetectable		 6qxsD-5o1mA:
22.06
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.76A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
ASN A 521
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 ( 3.3A)
CB3  A 703 (-3.8A)
 0.73A 6qxsD-5t0lA:
37.5		 6qxsD-5t0lA:
25.17
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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 LEU A  70
TRP A 147
TRP A 143
ASN A  10
ILE A 104
 None
 1.34A 6qxsD-5u2nA:
undetectable		 6qxsD-5u2nA:
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.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 5 LEU A 223
ILE A 268
LEU A 215
LEU A 326
GLY A 327
 None
 1.10A 6qxsD-5x9uA:
undetectable		 6qxsD-5x9uA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 PRO C  59
LEU C 101
LEU C  63
ILE C 138
ALA C  93
 None
 1.35A 6qxsD-5y6qC:
undetectable		 6qxsD-5y6qC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 450
LEU A 420
GLY A 416
ILE A 443
ALA A 385
 None
 1.25A 6qxsD-5yrpA:
undetectable		 6qxsD-5yrpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6acd -

(-) 		no annotation 5 PRO A1035
LEU A 876
LEU A1016
GLY A1017
ALA A 872
 None
 0.86A 6qxsD-6acdA:
undetectable		 6qxsD-6acdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axg RAS GUANYL-RELEASING
PROTEIN 4

(Homo sapiens) 		no annotation 5 LEU A 392
LEU A 246
LEU A 351
GLY A 352
ALA A 292
 None
 1.30A 6qxsD-6axgA:
undetectable		 6qxsD-6axgA:
22.20
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A  79
ASP A 169
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.77A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A  79
LEU A 143
LEU A 172
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.96A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A  79
TRP A  80
LEU A 143
GLY A 173
ASN A 177
 CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.3A)
UMP  A 702 ( 2.4A)
 0.83A 6qxsD-6cdzA:
37.4		 6qxsD-6cdzA:
undetectable