SIMILAR PATTERNS OF AMINO ACIDS FOR 1DF7_A_MTXA501_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.
1cid T CELL SURFACE
GLYCOPROTEIN CD4

(Rattus
norvegicus) 		PF05790
(C2-set)
PF09191
(CD4-extracel) 		5 GLN A 135
LEU A 133
VAL A 151
LEU A 117
ILE A 175
 None
 0.97A 1df7A-1cidA:
undetectable		 1df7A-1cidA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
LEU A  55
ARG A  58
ILE A 100
 None
 0.47A 1df7A-1cz3A:
17.5		 1df7A-1cz3A:
31.64
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
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
None
 0.64A 1df7A-1dr6A:
20.8		 1df7A-1dr6A:
31.38
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.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		5 ILE A 158
LEU A  32
VAL A  37
LEU A  40
ILE A 239
 None
 0.99A 1df7A-1h65A:
undetectable		 1df7A-1h65A:
20.15
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.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE

([Bacillus]
caldolyticus) 		PF14681
(UPRTase) 		5 ILE A  77
LEU A 118
PRO A 119
LEU A 147
ILE A 100
 None
 0.89A 1df7A-1i5eA:
undetectable		 1df7A-1i5eA:
21.70
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  59
PRO A  60
LEU A  63
ARG A  66
 None
 0.76A 1df7A-1juvA:
16.8		 1df7A-1juvA:
27.78
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  59
PRO A  60
LEU A  63
ILE A 127
 None
 0.78A 1df7A-1juvA:
16.8		 1df7A-1juvA:
27.78
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.
1or8 PROTEIN ARGININE
N-METHYLTRANSFERASE
1

(Rattus
norvegicus) 		PF13649
(Methyltransf_25) 		5 ILE A 142
ILE A 123
LEU A 133
PRO A 134
VAL A 135
 None
 0.86A 1df7A-1or8A:
undetectable		 1df7A-1or8A:
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 ALA A 106
ILE A 258
LEU A 334
PRO A 335
VAL A 338
 None
 0.97A 1df7A-1pc3A:
undetectable		 1df7A-1pc3A:
17.37
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.
1t2k INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF00605
(IRF) 		5 ALA A  93
LEU A  16
VAL A  13
LEU A  12
ILE A  36
 None
 0.95A 1df7A-1t2kA:
undetectable		 1df7A-1t2kA:
22.42
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) 		6 ILE A   7
ALA A   9
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.49A 1df7A-1u70A:
20.6		 1df7A-1u70A:
32.45
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) 		6 ILE A   7
ALA A   9
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-4.4A)
None
None
None
 0.46A 1df7A-1u71A:
21.1		 1df7A-1u71A:
31.58
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.
1upf URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		no annotation 5 ILE D  29
ALA D 197
ILE D 229
GLN D 200
ILE D  25
 None
None
URF  D 999 (-4.0A)
None
None
 0.99A 1df7A-1upfD:
undetectable		 1df7A-1upfD:
20.17
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ILE C 154
LEU C 197
PRO C 198
VAL C 201
ILE C 179
 None
 0.99A 1df7A-1usyC:
undetectable		 1df7A-1usyC:
20.82
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.
1y7n AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY A MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  56
ALA A  65
GLN A  61
LEU A  75
ILE A  55
 None
 0.92A 1df7A-1y7nA:
undetectable		 1df7A-1y7nA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		6 ILE A1020
ALA A 742
LEU A 877
PRO A 878
VAL A 881
LEU A 935
 None
 1.40A 1df7A-1yq2A:
undetectable		 1df7A-1yq2A:
11.31
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
ASP A  27
LEU A  54
ARG A  57
ILE A  96
 None
None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.39A 1df7A-1zdrA:
22.6		 1df7A-1zdrA:
34.73
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.
1zrm L-2-HALOACID
DEHALOGENASE

(Pseudomonas sp.
YL) 		PF13419
(HAD_2) 		6 ILE A 125
LEU A 104
PRO A 101
VAL A 100
LEU A  15
ILE A 116
 None
 1.39A 1df7A-1zrmA:
2.9		 1df7A-1zrmA:
23.38
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.69A 1df7A-2blbA:
19.6		 1df7A-2blbA:
24.28
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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		6 ILE A 135
ILE A  93
LEU A 121
PRO A 122
LEU A 128
ILE A 117
 None
 1.42A 1df7A-2ft3A:
undetectable		 1df7A-2ft3A:
19.67
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.
2gop TRILOBED PROTEASE

(Pyrococcus
furiosus) 		PF07676
(PD40) 		5 ILE A 297
LEU A 279
VAL A 265
LEU A 258
ILE A 294
 None
 0.99A 1df7A-2gopA:
undetectable		 1df7A-2gopA:
16.43
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
LEU A  91
ARG A  94
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.42A 1df7A-2h2qA:
20.0		 1df7A-2h2qA:
19.85
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  41
ASP A  48
PRO A  85
LEU A  91
ARG A  94
ILE A 154
TYR A 160
 NAP  A 523 (-4.4A)
None
None
None
None
None
None
 0.69A 1df7A-2h2qA:
20.0		 1df7A-2h2qA:
19.85
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 ILE A 335
LEU A 394
VAL A 360
LEU A 354
ILE A 302
 None
 0.96A 1df7A-2ihmA:
undetectable		 1df7A-2ihmA:
19.78
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.47A 1df7A-2oipA:
21.3		 1df7A-2oipA:
17.45
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.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.89A 1df7A-2vd9A:
undetectable		 1df7A-2vd9A:
17.22
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) 		10 ALA A  11
ILE A  24
ASP A  31
LEU A  54
PRO A  55
VAL A  58
LEU A  61
ARG A  64
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.6A)
None
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
 0.53A 1df7A-2w3wA:
28.8		 1df7A-2w3wA:
68.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
None
 0.43A 1df7A-2w9sA:
23.6		 1df7A-2w9sA:
32.93
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.
2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE

(Aquifex
aeolicus) 		PF04413
(Glycos_transf_N) 		5 ILE A 183
LEU A 319
VAL A 316
LEU A 315
ILE A 261
 None
 0.90A 1df7A-2xciA:
undetectable		 1df7A-2xciA:
17.65
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA

(Rhodococcus
erythropolis) 		PF02979
(NHase_alpha) 		5 ILE A  94
ALA A  80
VAL A 190
LEU A 195
ILE A 119
 None
 0.95A 1df7A-2zpbA:
undetectable		 1df7A-2zpbA:
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 ILE A 242
GLN A 228
LEU A 411
PRO A 408
ILE A 429
 None
 0.97A 1df7A-3boeA:
undetectable		 1df7A-3boeA:
20.28
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		6 ILE A 227
LEU A 259
PRO A 260
VAL A 263
LEU A 246
ILE A 253
 None
 1.39A 1df7A-3d0qA:
undetectable		 1df7A-3d0qA:
18.64
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) 		5 ALA A   6
ASP A  26
PRO A  50
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.67A 1df7A-3dfrA:
22.5		 1df7A-3dfrA:
34.88
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.54A 1df7A-3dg8A:
19.7		 1df7A-3dg8A:
22.02
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ILE A 455
ALA A 411
ASP A 379
LEU A 362
PRO A 359
VAL A 527
 None
 1.19A 1df7A-3eyaA:
undetectable		 1df7A-3eyaA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  37
ILE A 109
VAL A 125
LEU A 358
ILE A  49
 None
 0.94A 1df7A-3fcpA:
undetectable		 1df7A-3fcpA:
17.87
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.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		5 ALA A 235
ILE A 216
ARG A 205
ILE A 201
TYR A 194
 None
 0.97A 1df7A-3gr8A:
undetectable		 1df7A-3gr8A:
20.12
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) 		5 ALA X   7
ASP X  27
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
None
 0.51A 1df7A-3i8aX:
23.3		 1df7A-3i8aX:
31.33
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  55
ARG A  58
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
 0.31A 1df7A-3ia4A:
23.9		 1df7A-3ia4A:
36.53
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 ILE A 302
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 0.79A 1df7A-3ilwA:
undetectable		 1df7A-3ilwA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 ILE A 316
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 1.00A 1df7A-3ilwA:
undetectable		 1df7A-3ilwA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 144
ALA A 134
LEU A  25
PRO A  24
ILE A 117
 None
 1.00A 1df7A-3k2bA:
undetectable		 1df7A-3k2bA:
16.67
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 ILE A 199
LEU A  57
PRO A  58
LEU A  65
ILE A 198
 None
None
FAD  A 500 (-4.1A)
None
None
 0.86A 1df7A-3ka7A:
undetectable		 1df7A-3ka7A:
17.77
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  29
ASP A  37
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
 0.44A 1df7A-3kjrA:
20.3		 1df7A-3kjrA:
15.40
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ILE A 382
LEU A 365
VAL A 323
LEU A 325
ILE A 381
 None
 0.99A 1df7A-3l8aA:
undetectable		 1df7A-3l8aA:
17.10
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.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 ILE A 267
ASP A 365
VAL A 112
LEU A 116
ILE A 328
 None
 0.93A 1df7A-3lnlA:
undetectable		 1df7A-3lnlA:
15.85
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ILE A  64
LEU A 313
VAL A 309
LEU A 234
ILE A  67
 None
 0.88A 1df7A-3lunA:
undetectable		 1df7A-3lunA:
19.85
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A 300
ILE A 295
LEU A 166
VAL A 165
ILE A 305
 None
 0.97A 1df7A-3ndaA:
undetectable		 1df7A-3ndaA:
17.40
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		6 ALA A  48
PRO A 248
VAL A 251
LEU A 258
ILE A 262
TYR A 131
 None
 1.43A 1df7A-3ppoA:
undetectable		 1df7A-3ppoA:
19.05
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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		5 ILE A  81
ALA A  79
LEU A  97
LEU A 111
ILE A  84
 None
 0.76A 1df7A-3qllA:
undetectable		 1df7A-3qllA:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 ALA A  34
ILE A  47
ASP A  54
LEU A  90
PRO A  91
LEU A  97
ARG A 100
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 ( 3.9A)
None
 0.51A 1df7A-3rg9A:
19.6		 1df7A-3rg9A:
32.65
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.
3rj9 ALCOHOL
DEHYDROGENASE

(Scaptodrosophila
lebanonensis) 		PF00106
(adh_short) 		5 ILE A 132
ILE A 179
LEU A  25
LEU A   3
ILE A  87
 None
 0.99A 1df7A-3rj9A:
undetectable		 1df7A-3rj9A:
19.25
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.
3tc2 KUNITZ-TYPE
PROTEINASE INHIBITOR
P1H5

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		5 ILE A  25
LEU A 171
VAL A 162
LEU A 179
ILE A  24
 None
 0.97A 1df7A-3tc2A:
undetectable		 1df7A-3tc2A:
19.19
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.
3th6 TRIOSEPHOSPHATE
ISOMERASE

(Rhipicephalus
microplus) 		PF00121
(TIM) 		5 ILE A 127
ILE A 113
VAL A 200
LEU A 192
ILE A 147
 None
 0.96A 1df7A-3th6A:
undetectable		 1df7A-3th6A:
20.78
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  55
ARG A  58
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
 0.25A 1df7A-3tq9A:
23.1		 1df7A-3tq9A:
36.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 ( 4.0A)
None
 0.60A 1df7A-3um6A:
19.7		 1df7A-3um6A:
15.66
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.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		6 ILE A 125
LEU A 104
PRO A 101
VAL A 100
LEU A  15
ILE A 116
 None
 1.46A 1df7A-3um9A:
undetectable		 1df7A-3um9A:
19.48
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) 		7 ALA A   8
ASP A  28
PRO A  58
LEU A  64
ARG A  67
ILE A 111
TYR A 117
 None
 0.73A 1df7A-3vcoA:
17.5		 1df7A-3vcoA:
28.78
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 ILE A  46
ILE A  81
VAL A 182
LEU A  76
ILE A  11
 None
 1.00A 1df7A-3wt0A:
undetectable		 1df7A-3wt0A:
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		6 ILE A  32
ALA A 134
ILE A  69
ASP A 132
VAL A 356
LEU A 292
 None
 1.45A 1df7A-4czbA:
undetectable		 1df7A-4czbA:
15.35
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		6 ILE A 305
LEU A 264
PRO A 265
VAL A 268
LEU A 273
ILE A 303
 None
 1.34A 1df7A-4ddqA:
undetectable		 1df7A-4ddqA:
16.70
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		5 ILE A 163
LEU A   4
VAL A   7
LEU A   8
ILE A 321
 None
 0.92A 1df7A-4e4rA:
undetectable		 1df7A-4e4rA:
19.25
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) 		7 ILE X  10
ALA X  12
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
 0.57A 1df7A-4g8zX:
20.1		 1df7A-4g8zX:
30.54
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		5 ALA A  97
LEU A 121
VAL A 196
LEU A 200
ILE A 150
 None
 0.95A 1df7A-4gvfA:
undetectable		 1df7A-4gvfA:
20.28
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) 		6 ILE A   9
ALA A  11
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
None
14Q  A 202 ( 4.2A)
None
 0.53A 1df7A-4h96A:
17.5		 1df7A-4h96A:
30.05
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) 		6 ILE A   9
PRO A  63
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
None
None
None
14Q  A 202 ( 4.2A)
None
 0.55A 1df7A-4h96A:
17.5		 1df7A-4h96A:
30.05
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PRO A  63
LEU A  69
ARG A  72
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 ( 4.0A)
None
 0.43A 1df7A-4h98A:
18.6		 1df7A-4h98A:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ib2 PUTATIVE LIPOPROTEIN

([Ruminococcus]
gnavus) 		PF03180
(Lipoprotein_9) 		6 ILE A 114
ALA A 111
ILE A 250
LEU A  66
VAL A  68
LEU A  52
 None
 1.30A 1df7A-4ib2A:
undetectable		 1df7A-4ib2A:
18.39
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ILE A 804
ALA A 806
LEU A 827
PRO A 828
ILE A 856
 None
 0.98A 1df7A-4j3bA:
undetectable		 1df7A-4j3bA:
11.50
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ILE A 234
ILE A 612
LEU A 172
LEU A 176
ILE A 235
 None
 0.96A 1df7A-4jc8A:
undetectable		 1df7A-4jc8A:
12.85
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.
4l15 FIDGETIN-LIKE
PROTEIN 1

(Caenorhabditis
elegans) 		PF00004
(AAA)
PF09336
(Vps4_C) 		6 ILE A 365
ILE A 331
LEU A 587
PRO A 588
LEU A 321
ILE A 480
 None
 1.50A 1df7A-4l15A:
undetectable		 1df7A-4l15A:
17.61
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) 		12 ILE A   5
ALA A   7
ILE A  20
ASP A  27
GLN A  28
LEU A  50
PRO A  51
VAL A  54
LEU A  57
ARG A  60
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 ( 3.6A)
None
TMQ  A 202 (-4.2A)
None
None
None
TMQ  A 202 ( 3.8A)
None
 0.58A 1df7A-4m2xA:
30.3		 1df7A-4m2xA:
100.00
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  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.47A 1df7A-4m7vA:
22.2		 1df7A-4m7vA:
35.20
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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		5 ILE A 265
ILE A  60
LEU A 160
LEU A 300
ILE A 241
 None
 0.99A 1df7A-4nv0A:
undetectable		 1df7A-4nv0A:
20.00
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.
4o6i NUCLEOPROTEIN

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ILE A 543
GLN A 397
LEU A 446
PRO A 447
LEU A 452
 None
 0.90A 1df7A-4o6iA:
undetectable		 1df7A-4o6iA:
22.17
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
ARG A  57
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
 0.18A 1df7A-4p68A:
23.9		 1df7A-4p68A:
34.52
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 214
ILE A 179
VAL A 168
LEU A 403
ILE A 213
 None
 0.94A 1df7A-4px9A:
undetectable		 1df7A-4px9A:
21.92
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.
4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII

(Mycobacterium
ulcerans) 		PF01648
(ACPS) 		5 ALA A 155
LEU A  11
PRO A  12
VAL A  15
ILE A 113
 None
 0.76A 1df7A-4qjlA:
undetectable		 1df7A-4qjlA:
23.85
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		5 ILE A 609
LEU A 696
VAL A 654
LEU A 657
ILE A 642
 None
 1.01A 1df7A-4u48A:
undetectable		 1df7A-4u48A:
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.
4v2e FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A  52
LEU A 102
PRO A 103
VAL A 106
LEU A 109
 None
 0.81A 1df7A-4v2eA:
undetectable		 1df7A-4v2eA:
16.62
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.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 281
ILE A 187
LEU A 129
LEU A 144
ILE A 112
 None
 0.94A 1df7A-4yc6A:
undetectable		 1df7A-4yc6A:
22.53
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.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF13855
(LRR_8) 		5 ILE B  52
LEU B 102
PRO B 103
VAL B 106
LEU B 109
 None
 0.84A 1df7A-4yebB:
undetectable		 1df7A-4yebB:
16.08
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.
5aov GLYOXYLATE REDUCTASE

(Pyrococcus
furiosus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 240
LEU A 198
VAL A 201
LEU A 202
ILE A 222
 NAP  A1335 (-4.8A)
None
None
None
None
 0.94A 1df7A-5aovA:
undetectable		 1df7A-5aovA:
18.93
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.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 ILE B 212
ALA B 214
ILE B 297
VAL B 282
ILE B 271
 None
 0.98A 1df7A-5cprB:
undetectable		 1df7A-5cprB:
16.18
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) 		6 ILE A   5
ALA A   7
LEU A  71
ARG A  74
ILE A 111
TYR A 117
 None
NAP  A 201 (-3.7A)
None
None
None
None
 0.40A 1df7A-5dxvA:
14.2		 1df7A-5dxvA:
30.94
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.
5dzu ASPARTIC PROTEASE
INHIBITOR 11

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		5 ILE A  25
LEU A 173
VAL A 164
LEU A 181
ILE A  24
 GOL  A 201 ( 4.0A)
None
None
None
None
 1.00A 1df7A-5dzuA:
undetectable		 1df7A-5dzuA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
GLN A  28
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-3.4A)
None
None
 0.91A 1df7A-5ecxA:
21.8		 1df7A-5ecxA:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
GLN A  28
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-3.4A)
5N1  A 202 ( 4.7A)
None
 0.99A 1df7A-5ecxA:
21.8		 1df7A-5ecxA:
33.14
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.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 ALA A 190
LEU A 366
VAL A 369
LEU A 370
ILE A 337
 None
EDO  A 506 (-4.1A)
None
None
ACT  A 505 ( 4.3A)
 0.99A 1df7A-5es2A:
undetectable		 1df7A-5es2A:
15.14
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE B 532
LEU B 572
VAL B 591
LEU B 567
ILE B 528
 None
 0.95A 1df7A-5gqrB:
undetectable		 1df7A-5gqrB:
13.04
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ALPHA
T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE d  48
ILE d  35
LEU a  13
LEU a  15
ILE a 545
 None
 0.91A 1df7A-5gw5d:
undetectable		 1df7A-5gw5d:
13.77
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.
5kvf ZIKA ENVELOPE DIII

(Zika virus) 		PF02832
(Flavi_glycop_C) 		5 ILE E 396
LEU E 378
PRO E 380
VAL E 326
ILE E 389
 None
 0.92A 1df7A-5kvfE:
undetectable		 1df7A-5kvfE:
23.49
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 ALA A 143
GLN A  42
LEU A 122
VAL A 105
LEU A 103
 None
 0.96A 1df7A-5oe5A:
undetectable		 1df7A-5oe5A:
17.52
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.0A)
None
None
None
 0.54A 1df7A-5t0lA:
20.2		 1df7A-5t0lA:
17.56
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.
5ucd NAD(P)-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		6 ALA A 251
GLN A 247
LEU A 319
VAL A 292
LEU A 295
ILE A 342
 None
 1.30A 1df7A-5ucdA:
undetectable		 1df7A-5ucdA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zbb -

(-) 		no annotation 5 ILE A  72
ILE A  75
LEU A  12
VAL A  15
LEU A  16
 None
 0.97A 1df7A-5zbbA:
undetectable		 1df7A-5zbbA:
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.
6a8l -

(-) 		no annotation 5 ILE A   8
ILE A 151
LEU A 118
LEU A 114
ILE A   6
 None
 0.95A 1df7A-6a8lA:
undetectable		 1df7A-6a8lA:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		6 ILE A 243
ALA A 255
LEU A 211
VAL A 180
LEU A 232
ILE A 230
 None
 1.44A 1df7A-6axeA:
undetectable		 1df7A-6axeA:
13.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 11 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
VAL A  55
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.48A 1df7A-6cxmA:
27.2		 1df7A-6cxmA:
46.79
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.
6f2x PROTEIN TYROSINE
KINASE A

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A 282
ALA A 279
PRO A  79
VAL A 176
LEU A 171
 None
 0.92A 1df7A-6f2xA:
3.2		 1df7A-6f2xA:
20.39