SIMILAR PATTERNS OF AMINO ACIDS FOR 6QYA_B_FOZB401

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.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 ILE A  75
GLY A 187
PHE A 186
ILE A 194
ALA A 195
 None
 0.89A 6qyaB-1alqA:
0.0		 6qyaB-1alqA:
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.
1b79 DNAB HELICASE

(Escherichia
coli) 		PF00772
(DnaB) 		5 ILE A  81
LEU A  37
GLY A  38
TYR A 104
ILE A  67
 None
 1.45A 6qyaB-1b79A:
undetectable		 6qyaB-1b79A:
17.55
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) 		7 ILE A  86
TRP A  87
LEU A 170
HIS A 174
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
None
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.79A 6qyaB-1ci7A:
36.0		 6qyaB-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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 247
ILE A  14
LEU A  49
GLY A 198
ALA A  38
 None
NAI  A 400 (-3.9A)
None
None
NAI  A 400 (-3.4A)
 1.45A 6qyaB-1ek6A:
0.0		 6qyaB-1ek6A:
22.43
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.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 LEU A 570
ILE A 541
LEU A 227
ILE A 229
ALA A 199
 None
 1.41A 6qyaB-1fvfA:
0.0		 6qyaB-1fvfA:
19.24
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		5 LEU A 142
ILE A 127
LEU A 148
ILE A  34
ALA A  33
 None
 1.47A 6qyaB-1htwA:
undetectable		 6qyaB-1htwA:
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
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.72A 6qyaB-1hvyA:
37.9		 6qyaB-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
TRP A 109
LEU A 192
GLY A 222
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.69A 6qyaB-1hvyA:
37.9		 6qyaB-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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 LEU A 169
GLY A 168
TYR A 166
ILE A  80
ALA A 104
 None
 1.37A 6qyaB-1iirA:
0.0		 6qyaB-1iirA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 LEU A  82
ILE A   8
LEU A 267
GLY A 229
ALA A 223
 None
 1.30A 6qyaB-1mptA:
0.0		 6qyaB-1mptA:
19.33
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU X 211
ILE X 287
GLY X 292
PHE X 331
ILE X 290
 None
 1.33A 6qyaB-1r6bX:
0.0		 6qyaB-1r6bX:
16.45
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 LEU A 271
ILE A 360
LEU A 334
LEU A 286
GLY A 285
 None
 1.40A 6qyaB-1rtkA:
undetectable		 6qyaB-1rtkA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1twu HYPOTHETICAL PROTEIN
YYCE

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 ILE A 120
GLY A  32
PHE A  28
ILE A  94
ALA A  93
 None
 1.40A 6qyaB-1twuA:
undetectable		 6qyaB-1twuA:
19.37
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.
1v5x PHOSPHORIBOSYLANTHRA
NILATE ISOMERASE

(Thermus
thermophilus) 		PF00697
(PRAI) 		5 LEU A 173
ILE A   5
LEU A  49
LEU A  20
GLY A  21
 None
 1.24A 6qyaB-1v5xA:
undetectable		 6qyaB-1v5xA:
23.53
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		5 LEU A 220
ILE A 281
GLY A 278
PHE A 279
ALA A 121
 None
None
PLM  A 501 ( 4.5A)
None
PLM  A 501 ( 4.1A)
 1.42A 6qyaB-1vpvA:
undetectable		 6qyaB-1vpvA:
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 LEU A  57
ILE A 571
TRP A 551
PHE A  53
ALA A 585
 None
 1.33A 6qyaB-1wacA:
undetectable		 6qyaB-1wacA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 6qyaB-1zl0A:
undetectable		 6qyaB-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) 		8 ILE A 100
TRP A 101
LEU A 184
HIS A 188
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
UMP  A 350 (-4.2A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.44A 6qyaB-2aazA:
undetectable		 6qyaB-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
 1.25A 6qyaB-2c07A:
undetectable		 6qyaB-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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 LEU A  26
LEU A  37
GLY A  82
PHE A  86
TYR A 182
 None
 0.75A 6qyaB-2c7bA:
undetectable		 6qyaB-2c7bA:
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.
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
 1.17A 6qyaB-2db0A:
undetectable		 6qyaB-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.
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 6qyaB-2gu0A:
undetectable		 6qyaB-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
HIS A 404
LEU A 429
GLY A 430
TYR A 466
 None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.63A 6qyaB-2h2qA:
32.9		 6qyaB-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
LEU A 400
HIS A 404
LEU A 429
GLY A 430
 None
None
DU  A 611 (-4.2A)
None
DU  A 611 (-3.5A)
 0.87A 6qyaB-2h2qA:
32.9		 6qyaB-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.
2hh6 BH3980 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		5 LEU A  90
ILE A  61
LEU A  78
PHE A  86
ALA A  69
 None
 1.22A 6qyaB-2hh6A:
undetectable		 6qyaB-2hh6A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2f APOPTOSIS REGULATOR
BCL-2

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		5 LEU A 116
LEU A  21
PHE A 150
ILE A 170
ALA A 171
 None
None
LI0  A1000 ( 4.4A)
None
None
 1.43A 6qyaB-2o2fA:
undetectable		 6qyaB-2o2fA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A 315
TRP A 316
LEU A 399
HIS A 403
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
UMP  A 603 ( 4.4A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.50A 6qyaB-2oipA:
37.6		 6qyaB-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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		6 LEU A  54
ILE A 263
LEU A 275
PHE A  39
ILE A 261
ALA A 304
 None
 1.32A 6qyaB-2phlA:
undetectable		 6qyaB-2phlA:
20.64
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.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		5 LEU A  28
ILE A 123
LEU A 131
GLY A 139
PHE A  30
 None
 1.36A 6qyaB-2poeA:
undetectable		 6qyaB-2poeA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt7 HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		no annotation 5 LEU G 188
LEU G 227
GLY G 225
ILE G 230
ALA G 231
 None
 1.23A 6qyaB-2pt7G:
undetectable		 6qyaB-2pt7G:
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 259
ILE A 218
LEU A 225
GLY A 153
ILE A 215
 None
 1.25A 6qyaB-2ptzA:
undetectable		 6qyaB-2ptzA:
21.24
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ILE A 138
GLY A 205
PHE A 140
ILE A  24
ALA A  23
 None
 1.29A 6qyaB-2quaA:
undetectable		 6qyaB-2quaA:
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ILE A 138
LEU A  17
GLY A 205
PHE A 140
ILE A  24
 None
 1.38A 6qyaB-2quaA:
undetectable		 6qyaB-2quaA:
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 LEU A 208
ILE A 217
LEU A 165
PHE A 187
ALA A 163
 None
 1.45A 6qyaB-2rbcA:
undetectable		 6qyaB-2rbcA:
22.25
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 LEU A  56
HIS A 199
LEU A 224
PHE A 228
TYR A 261
 None
None
THF  A 568 (-3.6A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.82A 6qyaB-2tddA:
42.6		 6qyaB-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 LEU A  56
ILE A  81
TRP A  82
LEU A 195
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
 0.86A 6qyaB-2tddA:
42.6		 6qyaB-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 LEU A  56
LEU A 195
LEU A 224
GLY A 225
PHE A 228
 None
THF  A 568 (-4.6A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.73A 6qyaB-2tddA:
42.6		 6qyaB-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 LEU A  56
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 None
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.55A 6qyaB-2tddA:
42.6		 6qyaB-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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 ILE A 138
LEU A  17
GLY A 205
PHE A 140
ILE A  24
 None
 1.45A 6qyaB-2z8zA:
undetectable		 6qyaB-2z8zA:
20.67
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.
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
 1.33A 6qyaB-3ajbA:
undetectable		 6qyaB-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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 LEU B 518
ILE B 542
HIS B 533
LEU B 556
GLY B 557
 None
 1.15A 6qyaB-3b78B:
undetectable		 6qyaB-3b78B:
21.90
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.
3bsx PUMILIO HOMOLOG 1

(Homo sapiens) 		PF00806
(PUF) 		5 LEU A 892
ILE A 902
LEU A 928
GLY A 934
ILE A 921
 None
 1.11A 6qyaB-3bsxA:
undetectable		 6qyaB-3bsxA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Thermotoga
maritima) 		PF00344
(SecY) 		5 LEU C 174
ILE C 187
PHE C  28
ILE C 189
ALA C 398
 None
 1.34A 6qyaB-3dinC:
undetectable		 6qyaB-3dinC:
20.18
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.
3e9l PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		5 LEU A1988
ILE A1987
LEU A2012
GLY A2013
ILE A1937
 None
 1.07A 6qyaB-3e9lA:
undetectable		 6qyaB-3e9lA:
22.26
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.
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 LEU A 344
HIS A 340
PHE A 293
TYR A 262
ALA A 260
 None
 1.23A 6qyaB-3fibA:
undetectable		 6qyaB-3fibA:
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 LEU A 100
TRP A 175
GLY A 104
PHE A 102
ILE A  60
 None
 1.43A 6qyaB-3fn9A:
undetectable		 6qyaB-3fn9A:
18.21
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.
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)
 1.27A 6qyaB-3gnrA:
undetectable		 6qyaB-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
 1.10A 6qyaB-3i16A:
undetectable		 6qyaB-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.
3j0a TOLL-LIKE RECEPTOR 5

(Homo sapiens) 		PF01582
(TIR)
PF13855
(LRR_8) 		5 LEU A 389
HIS A 400
PHE A 380
ILE A 372
ALA A 373
 None
 1.44A 6qyaB-3j0aA:
undetectable		 6qyaB-3j0aA:
16.95
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 306
TRP A 307
LEU A 390
HIS A 394
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.60A 6qyaB-3kjrA:
37.7		 6qyaB-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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  51
LEU A 449
GLY A 445
ILE A 452
ALA A 421
 None
 1.34A 6qyaB-3mq4A:
undetectable		 6qyaB-3mq4A:
22.88
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.
3nrb FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
putida) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		5 ILE A 190
LEU A 177
GLY A 187
PHE A 223
ILE A 168
 None
 1.10A 6qyaB-3nrbA:
undetectable		 6qyaB-3nrbA:
20.49
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 LEU A  99
ILE A  95
LEU A  87
GLY A  69
PHE A 105
 None
 1.38A 6qyaB-3q3uA:
undetectable		 6qyaB-3q3uA:
23.14
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.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A  42
LEU A  56
LEU A   6
ILE A   9
ALA A   8
 None
 1.42A 6qyaB-3tc1A:
undetectable		 6qyaB-3tc1A:
24.05
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 LEU A 189
HIS A 193
LEU A 220
GLY A 221
TYR A 257
 CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.55A 6qyaB-3v8hA:
32.6		 6qyaB-3v8hA:
32.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 LEU A 203
GLY A 204
PHE A 207
ILE A  51
ALA A 179
 None
None
IPE  A 402 (-4.5A)
None
None
 1.05A 6qyaB-3wjoA:
undetectable		 6qyaB-3wjoA:
20.46
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 881
LEU A 741
GLY A 918
PHE A 919
ALA A 925
 None
 1.24A 6qyaB-3zyvA:
undetectable		 6qyaB-3zyvA:
13.15
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.
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
 1.36A 6qyaB-4az7A:
undetectable		 6qyaB-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
 1.34A 6qyaB-4azcA:
undetectable		 6qyaB-4azcA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 LEU A  59
LEU A 198
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.28A 6qyaB-4dq1A:
39.2		 6qyaB-4dq1A:
65.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 LEU A  59
LEU A 198
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.47A 6qyaB-4dq1A:
39.2		 6qyaB-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) 		8 ILE A  79
TRP A  80
TRP A  83
LEU A 143
HIS A 147
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.50A 6qyaB-4fogA:
37.5		 6qyaB-4fogA:
52.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 483
ILE A 436
LEU A 332
GLY A 441
ALA A 201
 None
 1.39A 6qyaB-4ga6A:
undetectable		 6qyaB-4ga6A:
22.33
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 150
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.49A 6qyaB-4h0uA:
35.6		 6qyaB-4h0uA:
52.37
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 LEU A 146
HIS A 150
LEU A 175
GLY A 176
PHE A 179
 None
UMP  A 301 (-4.2A)
None
UMP  A 301 (-3.6A)
None
 0.56A 6qyaB-4h0uA:
35.6		 6qyaB-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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 LEU A 319
LEU A 325
GLY A 301
ILE A 340
ALA A 341
 None
None
NA  A 402 (-3.3A)
None
None
 1.12A 6qyaB-4immA:
undetectable		 6qyaB-4immA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 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)
 1.09A 6qyaB-4iqqA:
34.6		 6qyaB-4iqqA:
43.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jnq THIOREDOXIN
REDUCTASE

(Brucella
melitensis) 		PF07992
(Pyr_redox_2) 		5 LEU A 226
ILE A 205
GLY A 153
ILE A 244
ALA A 135
 None
None
None
None
FDA  A 401 ( 4.6A)
 1.45A 6qyaB-4jnqA:
undetectable		 6qyaB-4jnqA:
18.82
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 LEU A 435
ILE A 444
LEU A 463
GLY A 464
ILE A 446
 None
 1.14A 6qyaB-4nnbA:
undetectable		 6qyaB-4nnbA:
22.56
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.
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 6qyaB-4ofwA:
undetectable		 6qyaB-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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 LEU A 297
LEU A 136
GLY A 141
PHE A 139
ILE A 145
 None
 1.08A 6qyaB-4p9nA:
undetectable		 6qyaB-4p9nA:
23.24
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.
4qae NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 166
LEU A 137
GLY A  35
PHE A 168
TYR A 138
 None
 1.33A 6qyaB-4qaeA:
undetectable		 6qyaB-4qaeA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 ILE A 103
LEU A  21
GLY A 169
PHE A 167
ILE A  61
 None
 1.03A 6qyaB-4qnwA:
undetectable		 6qyaB-4qnwA:
22.55
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.
4s1a UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF13200
(DUF4015) 		5 LEU A 278
ILE A 233
LEU A 218
PHE A 235
ILE A 221
 None
 1.40A 6qyaB-4s1aA:
undetectable		 6qyaB-4s1aA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 570
LEU A 533
LEU A 563
GLY A 560
ILE A 526
 None
 1.22A 6qyaB-4tz0A:
undetectable		 6qyaB-4tz0A:
23.15
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.
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
 1.35A 6qyaB-4xciA:
undetectable		 6qyaB-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.
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
 1.27A 6qyaB-4xmvA:
undetectable		 6qyaB-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) 		5 ILE A  96
TRP A  97
LEU A 180
LEU A 209
GLY A 210
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
 0.55A 6qyaB-4xscA:
34.1		 6qyaB-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
 1.06A 6qyaB-4xuvA:
undetectable		 6qyaB-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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 LEU I 123
LEU I 330
LEU I 377
GLY I 327
PHE I 125
 None
 0.94A 6qyaB-4zoqI:
undetectable		 6qyaB-4zoqI:
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 LEU A 122
ILE A 145
GLY A 116
ILE A 157
ALA A 156
 None
 1.12A 6qyaB-5cm5A:
undetectable		 6qyaB-5cm5A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 ILE A  98
LEU A  18
GLY A 176
PHE A 174
ILE A  56
 None
 1.14A 6qyaB-5dxxA:
undetectable		 6qyaB-5dxxA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 6qyaB-5ee7A:
undetectable		 6qyaB-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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 LEU A 304
LEU A 121
GLY A 117
PHE A 116
ALA A 129
 None
 1.43A 6qyaB-5ghaA:
undetectable		 6qyaB-5ghaA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6qyaB-5gn5A:
undetectable		 6qyaB-5gn5A:
22.32
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.
5h9x BETA-1,3-GLUCANASE

(Paenibacillus
barengoltzii) 		PF16483
(Glyco_hydro_64) 		5 LEU A 190
ILE A 193
TRP A 145
PHE A 237
ILE A 136
 None
 1.45A 6qyaB-5h9xA:
undetectable		 6qyaB-5h9xA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 LEU A  55
GLY A 224
PHE A 227
TYR A 260
ILE A 313
 None
 1.10A 6qyaB-5j7wA:
38.4		 6qyaB-5j7wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 LEU A  55
LEU A 223
GLY A 224
TYR A 260
ILE A 313
 None
 0.48A 6qyaB-5j7wA:
38.4		 6qyaB-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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A  62
ILE A 334
GLY A 272
ILE A 185
ALA A 186
 None
 1.42A 6qyaB-5ju6A:
undetectable		 6qyaB-5ju6A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khp NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 166
LEU A 137
GLY A  35
PHE A 168
TYR A 138
 None
 1.34A 6qyaB-5khpA:
undetectable		 6qyaB-5khpA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.42A 6qyaB-5my0B:
undetectable		 6qyaB-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 402
LEU A 486
HIS A 490
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.72A 6qyaB-5t0lA:
37.5		 6qyaB-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) 		5 ILE A 402
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.97A 6qyaB-5t0lA:
37.5		 6qyaB-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
HIS A 490
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
UMP  A 701 (-4.4A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.68A 6qyaB-5t0lA:
37.5		 6qyaB-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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 476
ILE A 459
LEU A 514
LEU A 500
GLY A 499
 None
 1.35A 6qyaB-5xgeA:
undetectable		 6qyaB-5xgeA:
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
 1.22A 6qyaB-5yrpA:
undetectable		 6qyaB-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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 224
ILE A 234
LEU A 201
ILE A 260
ALA A 261
 None
 1.19A 6qyaB-6c33A:
undetectable		 6qyaB-6c33A:
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
HIS A 147
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 (-3.9A)
UMP  A 702 (-4.3A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.84A 6qyaB-6cdzA:
37.3		 6qyaB-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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 HIS A  56
LEU A  60
GLY A  59
ILE A  62
ALA A  67
 None
 1.30A 6qyaB-6exsA:
undetectable		 6qyaB-6exsA:
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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 LEU U 155
HIS U 162
LEU U 100
GLY U  97
ILE U  66
 None
MN  U 301 (-3.2A)
None
None
None
 1.31A 6qyaB-6ezmU:
undetectable		 6qyaB-6ezmU:
undetectable