SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZE1_A_X2NA602_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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 GLY A 285
MET A 286
GLY A 300
LEU A 262
THR A  74
 None
 1.31A 4ze1A-1bw0A:
0.0		 4ze1A-1bw0A:
22.03
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.
1dqp GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Giardia
intestinalis) 		PF00156
(Pribosyltran) 		5 GLY A   7
LEU A 215
GLY A 171
LEU A 222
THR A   6
 None
 1.32A 4ze1A-1dqpA:
0.0		 4ze1A-1dqpA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flz URACIL-DNA
GLYCOSYLASE

(Escherichia
coli) 		PF03167
(UDG) 		5 GLY A 140
LEU A 122
LEU A  11
PHE A  45
THR A 143
 None
 1.28A 4ze1A-1flzA:
0.0		 4ze1A-1flzA:
19.54
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 TYR A 361
LEU A 297
PHE A  87
GLY A 123
LEU A 304
 None
 1.31A 4ze1A-1gz7A:
0.0		 4ze1A-1gz7A:
23.18
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 TYR A 609
GLY A 598
GLY A 167
PHE A 365
THR A 599
 None
None
None
R03  A 800 ( 4.0A)
None
 1.28A 4ze1A-1h39A:
0.0		 4ze1A-1h39A:
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 638
LEU A 900
PHE A 904
GLY A 873
THR A 682
 None
None
None
None
CU  A1053 ( 4.0A)
 0.98A 4ze1A-1kcwA:
0.0		 4ze1A-1kcwA:
19.94
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.
1lki LEUKEMIA INHIBITORY
FACTOR

(Mus musculus) 		PF01291
(LIF_OSM) 		5 GLY A  20
LEU A  80
PHE A  70
PHE A 180
LEU A 125
 None
 1.26A 4ze1A-1lkiA:
undetectable		 4ze1A-1lkiA:
16.29
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 231
MET A 230
LEU A  90
GLY A 138
HIS A 202
 None
None
None
None
MN  A3504 ( 3.4A)
 1.11A 4ze1A-1nvmA:
0.0		 4ze1A-1nvmA:
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38) 		5 GLY A 317
LEU A 148
PHE A 183
PHE A 150
LEU A 101
 None
 1.17A 4ze1A-1o7dA:
0.0		 4ze1A-1o7dA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A 491
PHE A 746
GLY A 623
LEU A 580
THR A 757
 None
 1.19A 4ze1A-1ofeA:
0.0		 4ze1A-1ofeA:
16.02
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.
1q90 CYTOCHROME B6
CYTOCHROME B6F
COMPLEX SUBUNIT PETG
CYTOCHROME B6F
COMPLEX SUBUNIT PETL
CYTOCHROME B6F
COMPLEX SUBUNIT PETM

(Chlamydomonas
reinhardtii) 		PF00033
(Cytochrome_B)
PF02529
(PetG)
PF05115
(PetL)
PF08041
(PetM) 		5 TYR L   7
PHE B  33
GLY G  20
LEU M  78
THR M  72
 LMG  L 951 (-3.4A)
BCR  B 904 (-4.5A)
BCR  B 904 (-3.4A)
None
LMG  L 951 (-3.8A)
 1.18A 4ze1A-1q90L:
undetectable		 4ze1A-1q90L:
5.19
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.
1qfc PROTEIN (PURPLE ACID
PHOSPHATASE)

(Rattus
norvegicus) 		PF00149
(Metallophos) 		5 TYR A 236
GLY A 235
LEU A 136
LEU A 208
THR A 215
 None
 1.08A 4ze1A-1qfcA:
undetectable		 4ze1A-1qfcA:
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.
1r44 D-ALANYL-D-ALANINE
DIPEPTIDASE

(Enterococcus
faecium) 		PF01427
(Peptidase_M15) 		5 TYR A 127
LEU A  50
PHE A 175
GLY A 174
THR A 125
 None
 1.32A 4ze1A-1r44A:
undetectable		 4ze1A-1r44A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		5 GLY A 300
PHE A  29
GLY A 244
LEU A 275
HIS A 330
 None
None
None
None
ZN  A 400 (-3.2A)
 1.33A 4ze1A-2ashA:
undetectable		 4ze1A-2ashA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 100
LEU A 192
PHE A 249
PHE A 105
THR A 102
 None
 1.29A 4ze1A-2boyA:
undetectable		 4ze1A-2boyA:
18.90
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 TYR A  26
LEU A 253
PHE A   7
PHE A 328
THR A  28
 None
 1.34A 4ze1A-2ct8A:
undetectable		 4ze1A-2ct8A:
23.55
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.
2cvh DNA REPAIR AND
RECOMBINATION
PROTEIN RADB

(Thermococcus
kodakarensis) 		PF08423
(Rad51) 		5 GLY A  32
LEU A 108
GLY A  45
PHE A  17
THR A  35
 None
 1.32A 4ze1A-2cvhA:
undetectable		 4ze1A-2cvhA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 GLY A 685
LEU A 307
PHE A 285
GLY A 275
THR A  89
 None
 1.12A 4ze1A-2d3iA:
undetectable		 4ze1A-2d3iA:
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 GLY A  50
GLY A 234
LEU A 189
HIS A 194
THR A  48
 None
 1.31A 4ze1A-2e0pA:
undetectable		 4ze1A-2e0pA:
22.37
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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		5 GLY A 110
MET A 109
GLY A 172
LEU A 129
HIS A  86
 None
None
UD1  A 335 ( 4.0A)
NDP  A 334 (-3.8A)
None
 1.23A 4ze1A-2gn4A:
undetectable		 4ze1A-2gn4A:
19.09
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.
2hq6 SEROLOGICALLY
DEFINED COLON CANCER
ANTIGEN 10

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A 135
LEU A  17
PHE A 113
GLY A  65
LEU A 144
 None
 1.22A 4ze1A-2hq6A:
undetectable		 4ze1A-2hq6A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 GLY A  53
LEU A  77
LEU A  57
THR A  86
MET A  88
 None
 1.34A 4ze1A-2pyhA:
undetectable		 4ze1A-2pyhA:
22.08
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 TYR A  54
GLY A  57
LEU A 346
GLY A 201
HIS A 338
 None
None
None
FAD  A1373 (-3.4A)
None
 1.24A 4ze1A-2uzzA:
undetectable		 4ze1A-2uzzA:
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		5 GLY C 402
LEU C 311
GLY C 444
LEU C 351
THR C 254
 None
 1.33A 4ze1A-2wy0C:
undetectable		 4ze1A-2wy0C:
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.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F

(Drosophila
melanogaster) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 TYR A 732
LEU A 801
LEU A 708
PHE A 824
MET A 712
 X6K  A1951 ( 4.3A)
None
None
None
None
 1.25A 4ze1A-2x6kA:
undetectable		 4ze1A-2x6kA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x6n INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		5 GLY A 151
LEU A 143
PHE A 190
GLY A 187
MET A 127
 None
 1.31A 4ze1A-2x6nA:
undetectable		 4ze1A-2x6nA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xty QNRB1

(Klebsiella
pneumoniae) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		5 GLY A  -2
LEU A  35
PHE A  76
PHE A  66
HIS A   0
 None
 1.31A 4ze1A-2xtyA:
undetectable		 4ze1A-2xtyA:
17.33
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		5 LEU A 351
PHE A  46
PHE A 333
GLY A 409
THR A 258
 None
 1.00A 4ze1A-2z00A:
undetectable		 4ze1A-2z00A:
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY B 361
LEU B  60
GLY B 166
PHE B  81
THR B  64
 None
 1.12A 4ze1A-3bxwB:
undetectable		 4ze1A-3bxwB:
23.19
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 LEU A 232
PHE A 213
GLY A 197
LEU A 180
PHE A 207
 None
 1.18A 4ze1A-3eqnA:
undetectable		 4ze1A-3eqnA:
20.10
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.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A  73
LEU A  82
GLY A   7
LEU A  39
PHE A  20
 FAD  A 301 (-3.2A)
None
None
None
None
 1.27A 4ze1A-3fpkA:
undetectable		 4ze1A-3fpkA:
19.63
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.
3gff IROE-LIKE SERINE
HYDROLASE

(Shewanella
oneidensis) 		PF00756
(Esterase) 		5 GLY A 257
LEU A 154
PHE A 191
GLY A 189
LEU A 226
 None
 1.31A 4ze1A-3gffA:
undetectable		 4ze1A-3gffA:
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.
3gkq TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Sphingomonas
sp. KA1) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 GLY A 198
LEU A 281
PHE A 314
LEU A 327
PHE A 276
 None
 1.11A 4ze1A-3gkqA:
undetectable		 4ze1A-3gkqA:
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.
3gra TRANSCRIPTIONAL
REGULATOR, ARAC
FAMILY

(Pseudomonas
putida) 		PF01965
(DJ-1_PfpI) 		5 TYR A 147
GLY A 148
LEU A  98
PHE A  63
THR A 174
 None
 1.33A 4ze1A-3graA:
undetectable		 4ze1A-3graA:
17.04
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		5 TYR A 235
GLY A 232
LEU A   3
GLY A  46
LEU A  10
 ATP  A 301 (-4.3A)
ATP  A 301 (-3.1A)
None
None
None
 0.94A 4ze1A-3h1qA:
undetectable		 4ze1A-3h1qA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 TYR A 175
LEU A 139
PHE A 310
PHE A 215
HIS A 377
 None
 1.28A 4ze1A-3h2iA:
undetectable		 4ze1A-3h2iA:
22.00
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.
3kv0 HET-C2

(Podospora
anserina) 		PF08718
(GLTP) 		5 LEU A 121
PHE A 168
LEU A  16
THR A  49
MET A  51
 None
None
None
MLY  A  64 ( 4.3A)
None
 1.22A 4ze1A-3kv0A:
undetectable		 4ze1A-3kv0A:
19.10
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III

(Rhodopseudomonas
palustris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 334
PHE A  57
PHE A 199
HIS A 296
THR A 330
 None
 1.17A 4ze1A-3ledA:
undetectable		 4ze1A-3ledA:
21.99
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		5 GLY B1428
LEU B1278
GLY B1515
PHE B1281
THR B1426
 None
 1.22A 4ze1A-3myrB:
undetectable		 4ze1A-3myrB:
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.
3myx UNCHARACTERIZED
PROTEIN PSPTO_0244

(Pseudomonas
syringae group
genomosp. 3) 		PF05899
(Cupin_3) 		5 GLY A 194
PHE A  21
GLY A  18
LEU A 206
THR A 210
 None
 1.27A 4ze1A-3myxA:
undetectable		 4ze1A-3myxA:
18.03
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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 106
PHE A 285
LEU A 219
HIS A 220
PHE A 236
 FLC  A 293 ( 4.3A)
None
None
FE  A 292 ( 3.1A)
None
 1.28A 4ze1A-3n9tA:
undetectable		 4ze1A-3n9tA:
21.81
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 285
MET A 286
PHE A  24
GLY A  62
LEU A 196
 MCA  A 486 ( 3.7A)
AMP  A 487 ( 3.8A)
CL  A 497 (-4.7A)
None
None
 1.29A 4ze1A-3nyqA:
undetectable		 4ze1A-3nyqA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oov METHYL-ACCEPTING
CHEMOTAXIS PROTEIN,
PUTATIVE

(Geobacter
sulfurreducens) 		PF13185
(GAF_2) 		5 LEU A 107
PHE A  57
PHE A  48
PHE A 112
THR A  74
 GOL  A 167 (-4.2A)
None
None
GOL  A 167 (-3.9A)
None
 1.31A 4ze1A-3oovA:
undetectable		 4ze1A-3oovA:
15.15
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.
3r6k VP1 PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 GLY A 490
LEU A 249
PHE A 472
GLY A 508
LEU A 237
 None
 1.29A 4ze1A-3r6kA:
undetectable		 4ze1A-3r6kA:
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 190
LEU A 249
PHE A 110
PHE A 244
MET A 137
 None
 1.20A 4ze1A-3rkxA:
undetectable		 4ze1A-3rkxA:
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.
3tcl CH04 HEAVY CHAIN FAB

(Homo sapiens) 		no annotation 5 TYR H  59
GLY H  60
LEU H  82
GLY H  10
LEU H  20
 None
 1.27A 4ze1A-3tclH:
undetectable		 4ze1A-3tclH:
19.59
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.
3u0a ACYL-COA
THIOESTERASE II
TESB2

(Mycobacterium
marinum) 		PF13622
(4HBT_3) 		5 TYR A  61
GLY A  60
MET A 102
LEU A 248
MET A 265
 None
 1.34A 4ze1A-3u0aA:
0.6		 4ze1A-3u0aA:
20.26
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.
3vg8 HYPOTHETICAL PROTEIN
TTHB210

(Thermus
thermophilus) 		no annotation 5 GLY G  17
LEU G  99
PHE G  47
GLY G  64
LEU G  34
 None
 1.15A 4ze1A-3vg8G:
undetectable		 4ze1A-3vg8G:
13.73
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 GLY A 178
LEU A 308
GLY A 269
LEU A 191
THR A 185
 None
 1.14A 4ze1A-3wh7A:
undetectable		 4ze1A-3wh7A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zhb R-IMINE REDUCTASE

(Streptomyces
kanamyceticus) 		PF03446
(NAD_binding_2) 		5 TYR A  86
GLY A 112
LEU A  34
GLY A 167
LEU A 152
 None
 1.33A 4ze1A-3zhbA:
undetectable		 4ze1A-3zhbA:
19.00
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.
3zhb R-IMINE REDUCTASE

(Streptomyces
kanamyceticus) 		PF03446
(NAD_binding_2) 		5 TYR A  86
GLY A 112
LEU A  34
GLY A 170
LEU A 152
 None
 1.15A 4ze1A-3zhbA:
undetectable		 4ze1A-3zhbA:
19.00
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 260
LEU A 178
PHE A 196
GLY A 392
LEU A 426
 GOL  A 623 (-3.2A)
None
None
None
None
 1.28A 4ze1A-4bjpA:
undetectable		 4ze1A-4bjpA:
21.25
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 GLY A 397
MET A 398
PHE A 334
GLY A 325
LEU A 254
 None
 1.04A 4ze1A-4bqmA:
undetectable		 4ze1A-4bqmA:
21.38
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.
4d65 PORIN 2

(Providencia
stuartii) 		PF00267
(Porin_1) 		5 GLY A 210
GLY A 243
LEU A 167
PHE A 122
THR A 209
 None
 1.30A 4ze1A-4d65A:
undetectable		 4ze1A-4d65A:
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 GLY A 277
LEU A 253
PHE A 208
PHE A 292
PHE A 259
 None
 1.29A 4ze1A-4fidA:
undetectable		 4ze1A-4fidA:
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 GLY A 193
PHE A  44
PHE A 246
GLY A 452
LEU A 249
 HEM  A 501 (-2.8A)
None
None
None
HEM  A 501 ( 4.4A)
 1.34A 4ze1A-4g2cA:
undetectable		 4ze1A-4g2cA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyj RHODOPSIN

(Exiguobacterium
sibiricum) 		PF01036
(Bac_rhodopsin) 		5 TYR A  58
GLY A  18
LEU A  93
PHE A  97
PHE A 228
 None
 1.29A 4ze1A-4hyjA:
undetectable		 4ze1A-4hyjA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i13 PROTEIN CA1697
(NANOBODY)

(Lama glama) 		PF07686
(V-set) 		5 TYR B  60
GLY B  61
LEU B  86
GLY B  10
LEU B  20
 None
 1.27A 4ze1A-4i13B:
undetectable		 4ze1A-4i13B:
13.54
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 GLY A 209
LEU A 130
GLY A 108
LEU A 202
HIS A 180
 None
 1.26A 4ze1A-4i93A:
undetectable		 4ze1A-4i93A:
20.79
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.
4iis BETA-1,3-GLUCANASE
FORM 'RRII GLN 2'

(Hevea
brasiliensis) 		PF00332
(Glyco_hydro_17) 		5 TYR A 259
GLY A 242
LEU A 137
PHE A 151
LEU A 219
 None
 1.29A 4ze1A-4iisA:
undetectable		 4ze1A-4iisA:
20.37
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 GLY A 126
LEU A  83
GLY A  49
LEU A 176
PHE A 143
 None
CL  A 301 (-4.4A)
None
None
None
 1.28A 4ze1A-4nmwA:
undetectable		 4ze1A-4nmwA:
20.81
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.
4pt2 ENCAPSULIN PROTEIN

(Myxococcus
xanthus) 		no annotation 5 GLY P 179
LEU P 141
HIS P 177
THR P 232
MET P 237
 None
 1.31A 4ze1A-4pt2P:
undetectable		 4ze1A-4pt2P:
19.54
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 5 TYR B  48
GLY B  33
LEU B 224
LEU B 233
THR B  35
 None
 1.23A 4ze1A-4r0mB:
undetectable		 4ze1A-4r0mB:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CWC27 HOMOLOG

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A 135
LEU A  17
PHE A 113
GLY A  65
LEU A 144
 None
 1.17A 4ze1A-4r3eA:
undetectable		 4ze1A-4r3eA:
14.79
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.
4r42 ALR3090 PROTEIN

(Nostoc sp. PCC
7120) 		PF05067
(Mn_catalase) 		5 GLY A 135
LEU A  69
PHE A 103
LEU A  40
THR A  33
 None
 1.21A 4ze1A-4r42A:
undetectable		 4ze1A-4r42A:
21.03
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 GLY A 725
LEU A 378
PHE A 327
GLY A 517
LEU A 300
 None
 1.15A 4ze1A-4sliA:
undetectable		 4ze1A-4sliA:
23.67
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.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 PHE A 236
GLY A 197
LEU A  78
HIS A  61
THR A  91
 None
 1.15A 4ze1A-4u4lA:
undetectable		 4ze1A-4u4lA:
17.88
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
 None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
 1.04A 4ze1A-4uy6A:
undetectable		 4ze1A-4uy6A:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 GLY A  69
LEU A 125
PHE A 130
PHE A 229
HIS A 374
 None
None
VOR  A 590 (-4.6A)
None
None
 1.17A 4ze1A-4uymA:
52.3		 4ze1A-4uymA:
50.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A  68
GLY A  69
LEU A 125
PHE A 130
HIS A 374
 None
None
None
VOR  A 590 (-4.6A)
None
 0.98A 4ze1A-4uymA:
52.3		 4ze1A-4uymA:
50.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w2q ANTI-MARBURGVIRUS
NUCLEOPROTEIN SINGLE
DOMAIN ANTIBODY C

(Lama glama) 		no annotation 5 TYR A  59
GLY A  60
LEU A  85
GLY A  10
LEU A  20
 None
 1.26A 4ze1A-4w2qA:
undetectable		 4ze1A-4w2qA:
12.87
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 GLY A 689
LEU A 342
PHE A 291
GLY A 481
LEU A 264
 None
 1.02A 4ze1A-4x6kA:
undetectable		 4ze1A-4x6kA:
22.87
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.
4x8n SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2

(Homo sapiens) 		PF00622
(SPRY) 		5 TYR A 386
GLY A 371
LEU A 357
PHE A 394
THR A 372
 None
 1.33A 4ze1A-4x8nA:
undetectable		 4ze1A-4x8nA:
17.79
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.
4xac EVDO2

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 TYR A 112
GLY A 113
LEU A 102
PHE A  18
GLY A  22
 None
 1.14A 4ze1A-4xacA:
undetectable		 4ze1A-4xacA:
18.00
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 GLY A 234
MET A 233
PHE A  24
GLY A 101
LEU A 105
 None
 1.22A 4ze1A-4z3nA:
0.7		 4ze1A-4z3nA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		5 TYR C 995
GLY C 996
LEU C 574
PHE C 559
GLY C 590
 None
 1.28A 4ze1A-5a6fC:
undetectable		 4ze1A-5a6fC:
21.40
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 GLY A  16
LEU A  81
PHE A 112
GLY A 101
THR A  18
 None
 1.12A 4ze1A-5cbkA:
undetectable		 4ze1A-5cbkA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 GLY A  16
LEU A  81
PHE A 112
GLY A 101
THR A  18
 None
 1.19A 4ze1A-5dnwA:
undetectable		 4ze1A-5dnwA:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		10 TYR A  64
GLY A  65
LEU A 121
PHE A 126
PHE A 228
GLY A 307
LEU A 376
HIS A 377
PHE A 380
MET A 508
 None
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.6A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.3A)
X2N  A 590 ( 4.8A)
X2N  A 590 (-4.8A)
 0.54A 4ze1A-5fsaA:
56.9		 4ze1A-5fsaA:
59.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 PHE F 877
GLY F 879
LEU F 856
PHE F 986
THR F 779
 None
 1.13A 4ze1A-5gjwF:
undetectable		 4ze1A-5gjwF:
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.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		5 LEU A 163
PHE A 186
GLY A 231
LEU A 153
MET A 190
 None
 1.20A 4ze1A-5hh3A:
26.9		 4ze1A-5hh3A:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 GLY A  73
MET A  74
GLY A 315
LEU A 380
HIS A 381
 None
None
HEM  A 601 (-3.5A)
VOR  A 602 (-4.0A)
None
 0.62A 4ze1A-5hs1A:
63.7		 4ze1A-5hs1A:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		11 TYR A  72
GLY A  73
MET A  74
LEU A 129
PHE A 134
PHE A 236
GLY A 314
LEU A 380
HIS A 381
PHE A 384
THR A 507
 None
None
None
None
VOR  A 602 (-4.7A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
VOR  A 602 (-4.0A)
None
None
None
 0.58A 4ze1A-5hs1A:
63.7		 4ze1A-5hs1A:
99.81
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		5 GLY A 272
LEU A 349
PHE A  99
GLY A 101
THR A 226
 None
None
GOL  A 401 (-4.5A)
None
None
 1.30A 4ze1A-5iobA:
undetectable		 4ze1A-5iobA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B 168
GLY B 464
LEU B 416
PHE B  54
THR B 454
 None
 1.21A 4ze1A-5ip9B:
undetectable		 4ze1A-5ip9B:
18.20
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TYR A 379
GLY A 378
PHE A 324
LEU A 370
THR A 377
 None
 1.30A 4ze1A-5jjqA:
undetectable		 4ze1A-5jjqA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		11 TYR A  73
GLY A  74
LEU A 130
PHE A 135
PHE A 237
GLY A 315
LEU A 381
HIS A 382
PHE A 385
THR A 510
MET A 512
 1YN  A 602 (-4.9A)
1YN  A 602 ( 3.8A)
None
1YN  A 602 ( 4.6A)
1YN  A 602 (-4.5A)
1YN  A 602 ( 3.6A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-4.2A)
1YN  A 602 (-4.8A)
1YN  A 602 (-3.8A)
1YN  A 602 (-3.5A)
 0.62A 4ze1A-5jlcA:
58.8		 4ze1A-5jlcA:
83.88
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.
5kai CYTOCHROME C-550

(Thermosynechococcus
elongatus) 		PF14495
(Cytochrom_C550) 		5 GLY V  84
PHE V  33
GLY V  44
LEU V  59
THR V  81
 None
 1.00A 4ze1A-5kaiV:
undetectable		 4ze1A-5kaiV:
18.75
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
PF03814
(KdpA) 		5 GLY B 573
LEU A 389
GLY A 539
LEU B 228
THR B 577
 None
 1.19A 4ze1A-5mrwB:
undetectable		 4ze1A-5mrwB:
20.87
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 GLY A 632
LEU A 894
PHE A 898
GLY A 867
THR A 676
 None
 1.00A 4ze1A-5n4lA:
undetectable		 4ze1A-5n4lA:
9.81
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 TYR A 411
GLY A 410
LEU A 433
PHE A 331
GLY A 681
 None
 1.10A 4ze1A-5nqdA:
undetectable		 4ze1A-5nqdA:
10.02
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 5 GLY A  88
LEU A  44
GLY A 124
THR A  85
MET A  80
 None
 1.30A 4ze1A-5nywA:
undetectable		 4ze1A-5nywA:
18.48
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 TYR A 223
LEU A  37
GLY A 271
LEU A 163
THR A 260
 None
HEM  A 301 ( 3.8A)
None
HEM  A 301 (-3.4A)
None
 1.24A 4ze1A-5twtA:
undetectable		 4ze1A-5twtA:
20.33
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 509
PHE A 150
LEU A 486
PHE A 479
THR A 510
 None
 0.99A 4ze1A-5v9xA:
undetectable		 4ze1A-5v9xA:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 5 GLY A  98
LEU A  54
PHE A  65
GLY A  62
THR A 386
 None
 1.29A 4ze1A-5xxiA:
30.4		 4ze1A-5xxiA:
25.32
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.
5zzn -

(-) 		no annotation 5 GLY V  84
PHE V  33
GLY V  44
LEU V  59
THR V  81
 None
None
None
HEM  V 201 (-4.9A)
None
 1.06A 4ze1A-5zznV:
undetectable		 4ze1A-5zznV:
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 5 TYR A 363
LEU A 100
LEU A 116
THR A  92
MET A  89
 None
 1.22A 4ze1A-6c4rA:
0.2		 4ze1A-6c4rA:
8.16
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.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 GLY A 489
MET A 490
LEU A 407
PHE A 404
GLY A 297
 None
 1.32A 4ze1A-6es9A:
undetectable		 4ze1A-6es9A:
9.79
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 5 GLY B 384
LEU B 158
PHE B 122
GLY B 129
LEU B 132
 None
 1.14A 4ze1A-6fd2B:
undetectable		 4ze1A-6fd2B:
9.98
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus) 		no annotation 5 LEU H 237
GLY H 101
LEU H 154
PHE H 242
THR H 145
 None
 0.97A 4ze1A-6g72H:
undetectable		 4ze1A-6g72H:
10.31