SIMILAR PATTERNS OF AMINO ACIDS FOR 2W9S_D_TOPD1158

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 ILE A  76
ALA A  55
LEU A  12
LEU A  41
PHE A  86
 None
 1.07A 2w9sD-1cttA:
undetectable		 2w9sD-1cttA:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
LEU A  22
SER A  59
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.44A 2w9sD-1dr6A:
19.9		 2w9sD-1dr6A:
30.32
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.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 ILE A  51
ALA A  62
LEU A  27
LEU A  67
ILE A  70
 None
 1.04A 2w9sD-1jroA:
undetectable		 2w9sD-1jroA:
14.88
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.
1ku1 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 2

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		5 ILE A 751
LEU A 646
ILE A 756
TYR A 726
THR A 710
 None
 1.16A 2w9sD-1ku1A:
undetectable		 2w9sD-1ku1A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 156
ASP A 115
LEU A  72
ILE A  34
TYR A 185
 None
 1.19A 2w9sD-1ljyA:
undetectable		 2w9sD-1ljyA:
17.73
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.
1nf5 ALPHA-LACTALBUMIN

(Mus musculus) 		PF00062
(Lys) 		5 ILE A  89
LEU A   3
ILE A  12
SER A  34
PHE A  53
 None
 1.09A 2w9sD-1nf5A:
undetectable		 2w9sD-1nf5A:
17.90
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.
1qav NEURONAL NITRIC
OXIDE SYNTHASE
(RESIDUES 1-130)

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ILE B1043
LEU B1081
LEU B1072
ILE B1064
PHE B1030
 None
 1.01A 2w9sD-1qavB:
undetectable		 2w9sD-1qavB:
22.44
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 ILE A  23
ALA A 175
LEU A  64
ILE A  53
PHE A  19
 None
 1.13A 2w9sD-1qi7A:
undetectable		 2w9sD-1qi7A:
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.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ILE A 344
LEU A 162
LEU A 257
ILE A 254
PHE A 250
 None
 1.21A 2w9sD-1re5A:
undetectable		 2w9sD-1re5A:
14.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
SER A  59
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.65A 2w9sD-1u70A:
19.9		 2w9sD-1u70A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
SER A  59
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
None
MXA  A 187 (-4.3A)
 0.29A 2w9sD-1u71A:
20.5		 2w9sD-1u71A:
31.91
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ALA A 183
ASP A 136
LEU A  93
ILE A  55
TYR A 212
 None
 1.17A 2w9sD-1wb0A:
undetectable		 2w9sD-1wb0A:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 115
 None
None
None
None
SO4  A3486 ( 4.8A)
None
 0.53A 2w9sD-1zdrA:
26.0		 2w9sD-1zdrA:
49.09
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.56A 2w9sD-2blbA:
19.5		 2w9sD-2blbA:
28.16
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.
2czr TBP-INTERACTING
PROTEIN

(Thermococcus
kodakarensis) 		PF15517
(TBPIP_N) 		5 ALA A  91
ASP A  95
LEU A 127
ILE A 131
PHE A  75
 None
 1.10A 2w9sD-2czrA:
undetectable		 2w9sD-2czrA:
18.58
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.
2d9z PROTEIN KINASE C, NU
TYPE

(Homo sapiens) 		PF00169
(PH) 		5 ILE A  59
LEU A  36
ILE A 118
PHE A  77
THR A  81
 None
 1.12A 2w9sD-2d9zA:
undetectable		 2w9sD-2d9zA:
21.82
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
SER A  83
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.29A 2w9sD-2h2qA:
19.3		 2w9sD-2h2qA:
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.
2j1d DISHEVELED-ASSOCIATE
D ACTIVATOR OF
MORPHOGENESIS 1

(Homo sapiens) 		PF02181
(FH2) 		5 ILE G 975
LEU G 813
ILE G 837
SER G 807
PHE G 976
 None
 1.01A 2w9sD-2j1dG:
undetectable		 2w9sD-2j1dG:
17.25
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.
2l3f UNCHARACTERIZED
PROTEIN

(Methanosarcina
acetivorans) 		PF03167
(UDG) 		5 ILE A  16
LEU A  72
ILE A  18
PHE A 156
THR A  14
 None
 1.17A 2w9sD-2l3fA:
undetectable		 2w9sD-2l3fA:
23.89
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.
2oh3 COG1633:
UNCHARACTERIZED
CONSERVED PROTEIN

(Magnetospirillum
magnetotacticum) 		PF02915
(Rubrerythrin) 		5 ILE A  56
ALA A  14
LEU A  68
TYR A 111
THR A  17
 None
 1.13A 2w9sD-2oh3A:
undetectable		 2w9sD-2oh3A:
18.29
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
None
MTX  A 605 ( 4.2A)
 0.54A 2w9sD-2oipA:
21.1		 2w9sD-2oipA:
16.73
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.
2pge MENC

(Desulfotalea
psychrophila) 		PF13378
(MR_MLE_C) 		5 ILE A 106
ALA A 104
LEU A 130
SER A  94
PHE A  84
 None
 1.04A 2w9sD-2pgeA:
undetectable		 2w9sD-2pgeA:
15.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  29
PHE A  96
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 3.9A)
None
MTX  A 200 ( 4.4A)
 0.50A 2w9sD-2qk8A:
24.7		 2w9sD-2qk8A:
44.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
LEU A  32
SER A  53
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.7A)
 0.34A 2w9sD-2w3wA:
22.5		 2w9sD-2w3wA:
32.37
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ALA A 183
ASP A 136
LEU A  93
ILE A  55
TYR A 212
 CX9  A1398 ( 4.6A)
None
None
None
CX9  A1398 (-4.3A)
 1.17A 2w9sD-2ybuA:
undetectable		 2w9sD-2ybuA:
18.28
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.
2zt9 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 ILE B  51
ALA B  53
LEU A  81
ILE A  85
PHE B  48
 None
 1.14A 2w9sD-2zt9B:
undetectable		 2w9sD-2zt9B:
23.63
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 ILE A 239
ALA A 241
LEU A 207
LEU A 197
PHE A 250
 None
None
None
SAH  A 801 (-3.7A)
None
 1.02A 2w9sD-2zwaA:
2.3		 2w9sD-2zwaA:
11.49
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.
3cnr TYPE IV FIMBRIAE
ASSEMBLY PROTEIN

(Xanthomonas
citri) 		PF07238
(PilZ) 		5 ALA A  24
LEU A  13
LEU A  54
ILE A 100
PHE A  87
 None
 1.19A 2w9sD-3cnrA:
undetectable		 2w9sD-3cnrA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.71A 2w9sD-3dfrA:
23.3		 2w9sD-3dfrA:
35.71
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.54A 2w9sD-3dg8A:
20.0		 2w9sD-3dg8A:
23.30
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.
3dsg TYPE IV FIMBRIAE
ASSEMBLY PROTEIN

(Xanthomonas
campestris) 		PF07238
(PilZ) 		5 ALA A  24
LEU A  13
LEU A  54
ILE A 100
PHE A  87
 None
 1.20A 2w9sD-3dsgA:
undetectable		 2w9sD-3dsgA:
16.25
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		5 ILE A  84
ALA A 197
LEU A 207
LEU A  77
ILE A 117
 None
 1.10A 2w9sD-3ek1A:
undetectable		 2w9sD-3ek1A:
14.78
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ALA B 394
ASP B 392
SER B 130
PHE B 151
THR B 395
 None
 1.08A 2w9sD-3hhsB:
undetectable		 2w9sD-3hhsB:
14.20
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A 588
LEU A 627
LEU A 612
ILE A 611
PHE A 560
 None
 1.19A 2w9sD-3hkzA:
undetectable		 2w9sD-3hkzA:
11.46
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ALA A 374
LEU A 376
ILE A 323
PHE A 325
THR A 368
 None
 1.21A 2w9sD-3hs0A:
undetectable		 2w9sD-3hs0A:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		5 ILE B  57
ALA B  13
LEU B 139
ILE B 155
PHE B 105
 None
 1.18A 2w9sD-3hzhB:
undetectable		 2w9sD-3hzhB:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  20
ASP X  27
LEU X  28
SER X  49
PHE X  92
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-3.3A)
N22  X 219 ( 3.7A)
None
N22  X 219 (-4.4A)
 0.74A 2w9sD-3i8aX:
29.7		 2w9sD-3i8aX:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
LEU A  29
SER A  50
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
None
MTX  A 164 (-4.3A)
 0.69A 2w9sD-3ia4A:
25.3		 2w9sD-3ia4A:
41.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
LEU A  23
LEU A  31
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.5A)
 0.47A 2w9sD-3ix9A:
24.4		 2w9sD-3ix9A:
34.71
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
SER A  72
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
 0.27A 2w9sD-3kjrA:
20.4		 2w9sD-3kjrA:
17.34
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.
3ldd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF07885
(Ion_trans_2) 		5 ILE A  57
LEU A  28
ILE A  31
PHE A  54
THR A  86
 None
 0.81A 2w9sD-3lddA:
undetectable		 2w9sD-3lddA:
17.53
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 ALA A 124
ILE A 169
PHE A 165
TYR A 150
THR A 123
 None
 1.22A 2w9sD-3lg5A:
undetectable		 2w9sD-3lg5A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 ILE A 128
ALA A 171
LEU A 115
LEU A 144
ILE A 106
 None
 1.16A 2w9sD-3n11A:
undetectable		 2w9sD-3n11A:
18.02
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.
3nhe UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2

(Homo sapiens) 		PF00443
(UCH) 		5 LEU A 500
LEU A 528
ILE A 491
PHE A 438
THR A 463
 None
 1.14A 2w9sD-3nheA:
undetectable		 2w9sD-3nheA:
20.93
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.
3q1n GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
paracasei) 		PF01263
(Aldose_epim) 		5 ILE A 228
ALA A 217
LEU A 238
LEU A 288
PHE A 145
 EDO  A 301 ( 4.5A)
None
None
None
None
 1.12A 2w9sD-3q1nA:
undetectable		 2w9sD-3q1nA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
SER A  89
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.29A 2w9sD-3rg9A:
19.5		 2w9sD-3rg9A:
27.50
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 ILE A 293
LEU A 265
ILE A 263
PHE A 257
THR A 198
 None
 1.05A 2w9sD-3sr3A:
undetectable		 2w9sD-3sr3A:
19.08
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.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		5 ILE A 822
LEU A 730
ILE A 827
TYR A 797
THR A 781
 None
 1.08A 2w9sD-3swvA:
undetectable		 2w9sD-3swvA:
21.89
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ILE A 196
ALA A 188
LEU A 153
ILE A 151
THR A 263
 None
 1.21A 2w9sD-3sx2A:
undetectable		 2w9sD-3sx2A:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
 0.55A 2w9sD-3tq9A:
24.8		 2w9sD-3tq9A:
42.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
LEU A  21
ASP A  28
LEU A  29
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
 0.62A 2w9sD-3tq9A:
24.8		 2w9sD-3tq9A:
42.11
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.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ILE A 193
ALA A 185
LEU A 154
ILE A 152
THR A 260
 None
 1.21A 2w9sD-3tscA:
undetectable		 2w9sD-3tscA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 ILE A 810
ALA A 697
LEU A 731
LEU A 737
ILE A 711
 None
 1.12A 2w9sD-3tsyA:
undetectable		 2w9sD-3tsyA:
9.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.53A 2w9sD-3um6A:
20.2		 2w9sD-3um6A:
12.48
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
SER A  56
TYR A 117
THR A 133
 None
 0.63A 2w9sD-3vcoA:
17.4		 2w9sD-3vcoA:
29.76
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ILE A 111
ALA A  46
LEU A  96
LEU A   3
ILE A 110
 None
 1.19A 2w9sD-3vcoA:
17.4		 2w9sD-3vcoA:
29.76
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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 126
ALA A 113
ILE A 103
PHE A  99
THR A 134
 None
 1.04A 2w9sD-3vpxA:
undetectable		 2w9sD-3vpxA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A

(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ILE A 277
ALA A 234
LEU A 190
LEU A 220
ILE A 324
 ILE  A 277 ( 0.7A)
ALA  A 234 ( 0.0A)
LEU  A 190 ( 0.6A)
LEU  A 220 ( 0.5A)
ILE  A 324 ( 0.7A)
 1.13A 2w9sD-3whlA:
undetectable		 2w9sD-3whlA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
487d PROTEIN (50S L2
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		5 ILE I 123
ALA I 128
LEU I 131
ILE I 134
SER I 160
 None
 1.10A 2w9sD-487dI:
undetectable		 2w9sD-487dI:
24.00
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.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 192
ALA A 223
LEU A 227
ILE A 248
SER A 242
 None
None
None
None
MN  A 802 ( 2.2A)
 1.09A 2w9sD-4db1A:
undetectable		 2w9sD-4db1A:
12.13
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 174
LEU A 162
LEU A 329
ILE A 327
PHE A 256
 None
 0.99A 2w9sD-4dpkA:
undetectable		 2w9sD-4dpkA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ILE X  10
ALA X  12
LEU X  25
SER X  64
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
TOP  X 301 (-4.5A)
 0.76A 2w9sD-4g8zX:
19.5		 2w9sD-4g8zX:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
SER A  61
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
None
14Q  A 202 ( 4.6A)
 0.82A 2w9sD-4h96A:
17.8		 2w9sD-4h96A:
31.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
LEU A  25
SER A  61
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
None
14Q  A 302 (-4.2A)
 0.74A 2w9sD-4h98A:
18.8		 2w9sD-4h98A:
31.19
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 ALA A 349
LEU A 351
LEU A 439
PHE A 390
THR A 460
 None
 1.14A 2w9sD-4ia5A:
undetectable		 2w9sD-4ia5A:
14.04
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		5 ALA A 408
LEU A 336
ILE A 339
SER A  11
PHE A 376
 None
 1.04A 2w9sD-4j5tA:
undetectable		 2w9sD-4j5tA:
11.66
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.
4k26 CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Mus musculus) 		PF00106
(adh_short) 		5 ILE A 210
LEU A 116
ILE A 165
PHE A 194
THR A 249
 None
 1.20A 2w9sD-4k26A:
undetectable		 2w9sD-4k26A:
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		5 ILE A 772
ALA A 682
ILE A 768
SER A 710
THR A 683
 None
 1.16A 2w9sD-4k6jA:
undetectable		 2w9sD-4k6jA:
13.44
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.
4kyi VIPD

(Legionella
pneumophila) 		PF01734
(Patatin) 		5 LEU A  94
ILE A 100
SER A  80
PHE A 118
THR A 180
 None
 1.16A 2w9sD-4kyiA:
undetectable		 2w9sD-4kyiA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 (-4.2A)
 0.31A 2w9sD-4m2xA:
22.7		 2w9sD-4m2xA:
31.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.39A 2w9sD-4m7vA:
25.4		 2w9sD-4m7vA:
42.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  20
ASP A  27
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.4A)
 0.40A 2w9sD-4m7vA:
25.4		 2w9sD-4m7vA:
42.29
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		5 ILE A  65
ALA A  54
LEU A 146
LEU A 106
ILE A  47
 None
 1.19A 2w9sD-4mx8A:
undetectable		 2w9sD-4mx8A:
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.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 154
ASP A 121
LEU A  71
ILE A  31
TYR A 181
 None
 1.22A 2w9sD-4n42A:
undetectable		 2w9sD-4n42A:
21.30
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		6 ALA A 192
LEU A 113
LEU A 151
ILE A 173
PHE A 175
THR A 191
 None
 1.33A 2w9sD-4oteA:
undetectable		 2w9sD-4oteA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
None
MTX  A 201 ( 4.5A)
 0.29A 2w9sD-4p68A:
25.5		 2w9sD-4p68A:
37.89
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.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 ILE A  50
ALA A  47
LEU A   9
LEU A  25
ILE A  23
 None
 1.19A 2w9sD-4r9xA:
undetectable		 2w9sD-4r9xA:
22.71
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 ALA A 156
ASP A 123
LEU A  75
ILE A  29
TYR A 183
 None
 1.11A 2w9sD-4toqA:
undetectable		 2w9sD-4toqA:
17.94
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT DELTA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ILE C 264
ALA C 266
LEU G 390
LEU G 428
ILE C 259
 None
 0.93A 2w9sD-5b04C:
undetectable		 2w9sD-5b04C:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
SER A  66
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.40A 2w9sD-5dxvA:
13.9		 2w9sD-5dxvA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
LEU A  45
SER A  66
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.80A 2w9sD-5dxvA:
13.9		 2w9sD-5dxvA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
SER A  50
TYR A 101
THR A 114
 None
 0.38A 2w9sD-5fdaA:
17.6		 2w9sD-5fdaA:
40.37
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.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		5 ILE A 177
ASP A 137
SER A  83
PHE A 176
THR A 141
 None
 1.19A 2w9sD-5h6bA:
undetectable		 2w9sD-5h6bA:
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.
5np9 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAE

(Bacillus
subtilis) 		no annotation 5 ILE A 134
LEU A 150
LEU A 120
ILE A 122
PHE A  44
 None
 1.12A 2w9sD-5np9A:
2.8		 2w9sD-5np9A:
20.75
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.
5okz EXOSOME COMPLEX
COMPONENT MTR3

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		5 ILE F  53
ALA F 179
LEU F  73
ILE F  74
PHE F  52
 None
 1.10A 2w9sD-5okzF:
undetectable		 2w9sD-5okzF:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 5 ALA A  68
LEU A   6
LEU A  95
ILE A  99
PHE A  73
 None
 1.08A 2w9sD-5ot0A:
undetectable		 2w9sD-5ot0A:
19.15
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.57A 2w9sD-5t0lA:
20.3		 2w9sD-5t0lA:
15.63
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 ALA A 178
ASP A 137
LEU A  94
ILE A  55
TYR A 207
 None
 1.16A 2w9sD-5xepA:
undetectable		 2w9sD-5xepA:
17.39
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 ILE A 110
LEU A 158
LEU A  67
ILE A  61
PHE A 107
 None
 1.04A 2w9sD-5xepA:
undetectable		 2w9sD-5xepA:
17.39
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 5 ILE A 306
ALA A 315
LEU A 319
LEU A 348
ILE A 345
 None
 1.17A 2w9sD-6b07A:
undetectable		 2w9sD-6b07A:
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 5 ILE P 300
LEU P 538
LEU P 281
ILE P 284
PHE P 286
 None
 1.08A 2w9sD-6c1dP:
undetectable		 2w9sD-6c1dP:
19.74
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 5 ILE A 368
LEU A 375
ILE A 371
PHE A 121
THR A 379
 None
 1.21A 2w9sD-6c4rA:
undetectable		 2w9sD-6c4rA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 ILE A 530
ALA A 525
LEU A 109
PHE A 117
THR A 526
 None
None
None
None
SEY  A 610 ( 3.7A)
 1.13A 2w9sD-6cczA:
undetectable		 2w9sD-6cczA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.67A 2w9sD-6cxmA:
21.8		 2w9sD-6cxmA:
30.00
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.51A 2w9sD-6e4eA:
29.7		 2w9sD-6e4eA:
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.81A 2w9sD-6e4eA:
29.7		 2w9sD-6e4eA:
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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 5 ILE A  56
ALA A 104
LEU A  17
ILE A  44
PHE A  35
 None
 0.82A 2w9sD-6ehiA:
undetectable		 2w9sD-6ehiA:
20.65
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.
6el1 YAXB

(Yersinia
enterocolitica) 		no annotation 5 ALA O 298
LEU O 133
ILE O  17
SER O  64
PHE O  19
 None
 1.20A 2w9sD-6el1O:
undetectable		 2w9sD-6el1O:
22.29