SIMILAR PATTERNS OF AMINO ACIDS FOR 4QI9_C_MTXC201

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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LYS A 195
SER A 129
ILE A 130
LEU A  13
THR A 144
 None
 1.20A 4qi9C-1b25A:
undetectable		 4qi9C-1b25A:
14.64
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) 		6 ALA A   8
ASP A  27
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
 0.53A 4qi9C-1cz3A:
18.9		 4qi9C-1cz3A:
32.97
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) 		6 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
THR A 121
 None
 0.86A 4qi9C-1cz3A:
18.9		 4qi9C-1cz3A:
32.97
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) 		7 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.71A 4qi9C-1dr6A:
18.0		 4qi9C-1dr6A:
32.65
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) 		5 ILE A   7
ALA A   9
SER A  59
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.70A 4qi9C-1dr6A:
18.0		 4qi9C-1dr6A:
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 232
ARG A 233
LEU A 229
TYR A 152
THR A 186
 None
GOL  A 412 (-4.0A)
None
None
PLP  A 405 (-3.8A)
 1.25A 4qi9C-1e5fA:
undetectable		 4qi9C-1e5fA:
17.11
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 177
SER A  85
ILE A  89
LEU A  94
ARG A 253
 None
 1.30A 4qi9C-1e5mA:
undetectable		 4qi9C-1e5mA:
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.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 5 ILE A  58
ALA A  66
ILE A 176
ARG A 217
LEU A  33
 None
 1.29A 4qi9C-1hlkA:
undetectable		 4qi9C-1hlkA:
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A  88
ALA A  95
ILE A 117
LEU A  60
THR A  93
 None
 1.22A 4qi9C-1smkA:
undetectable		 4qi9C-1smkA:
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		5 ILE A 341
ALA A 407
ASP A 328
SER A 397
THR A 408
 None
 1.27A 4qi9C-1t8wA:
undetectable		 4qi9C-1t8wA:
16.53
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) 		8 ILE A   7
ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.50A 4qi9C-1u70A:
17.9		 4qi9C-1u70A:
31.41
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) 		7 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.58A 4qi9C-1u71A:
18.0		 4qi9C-1u71A:
31.79
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)
 0.72A 4qi9C-1u71A:
18.0		 4qi9C-1u71A:
31.79
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 123
SER A  57
ILE A  60
ARG A  63
TYR A 158
 None
 1.18A 4qi9C-1vjgA:
undetectable		 4qi9C-1vjgA:
25.79
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 158
ALA A 100
SER A  72
ILE A  73
LEU A 153
 None
 1.12A 4qi9C-1xocA:
undetectable		 4qi9C-1xocA:
18.32
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) 		8 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.63A 4qi9C-1zdrA:
21.6		 4qi9C-1zdrA:
43.93
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.
1zmo HALOHYDRIN
DEHALOGENASE

(Arthrobacter
sp. AD2) 		PF13561
(adh_short_C2) 		5 ILE A 130
ALA A 174
SER A 166
ILE A 170
THR A 133
 None
 1.30A 4qi9C-1zmoA:
undetectable		 4qi9C-1zmoA:
24.48
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.
2b0a HYPOTHETICAL PROTEIN
MJ0783

(Methanocaldococcus
jannaschii) 		PF04199
(Cyclase) 		5 ILE A 130
ALA A 127
SER A  72
ILE A  71
LEU A  87
 None
 1.21A 4qi9C-2b0aA:
undetectable		 4qi9C-2b0aA:
22.89
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.68A 4qi9C-2blbA:
17.8		 4qi9C-2blbA:
24.70
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.57A 4qi9C-2blbA:
17.8		 4qi9C-2blbA:
24.70
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 577
SER A 568
ILE A 601
LEU A 605
THR A 291
 None
None
None
None
ANP  A2901 (-4.0A)
 1.26A 4qi9C-2db3A:
undetectable		 4qi9C-2db3A:
17.31
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 ILE A 220
LYS A 223
SER A 301
ILE A 300
THR A 199
 None
 1.26A 4qi9C-2dhtA:
undetectable		 4qi9C-2dhtA:
16.75
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.
2eo5 419AA LONG
HYPOTHETICAL
AMINOTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00202
(Aminotran_3) 		5 ILE A  51
ASP A  46
ILE A 373
LEU A  23
TYR A 227
 None
 1.21A 4qi9C-2eo5A:
undetectable		 4qi9C-2eo5A:
18.25
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.62A 4qi9C-2h2qA:
16.6		 4qi9C-2h2qA:
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.
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
 0.67A 4qi9C-2h2qA:
16.6		 4qi9C-2h2qA:
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		5 ILE A  40
ALA A  36
ILE A 213
LEU A 160
ARG A 123
 None
 1.27A 4qi9C-2i2xA:
undetectable		 4qi9C-2i2xA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nps SYNTAXIN 13
SYNTAXIN-6
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 4

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF05739
(SNARE)
no annotation 		5 ILE B 195
ALA B 193
ILE A  54
ARG A  50
LEU D 173
 None
 1.18A 4qi9C-2npsB:
undetectable		 4qi9C-2npsB:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.52A 4qi9C-2oipA:
18.7		 4qi9C-2oipA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LYS A  38
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
None
None
MTX  A 605 ( 4.2A)
 1.28A 4qi9C-2oipA:
18.7		 4qi9C-2oipA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
SER A  61
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.66A 4qi9C-2oipA:
18.7		 4qi9C-2oipA:
18.20
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) 		8 ALA A   8
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.67A 4qi9C-2qk8A:
22.7		 4qi9C-2qk8A:
38.69
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) 		5 ALA A  11
ASP A  31
LEU A  54
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
None
None
VG9  A1168 ( 4.7A)
 1.17A 4qi9C-2w3wA:
21.8		 4qi9C-2w3wA:
34.09
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) 		7 ALA A  11
ASP A  31
SER A  53
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.70A 4qi9C-2w3wA:
21.8		 4qi9C-2w3wA:
34.09
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) 		9 ILE A   5
ALA A   7
ASP A  27
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.68A 4qi9C-2w9sA:
21.9		 4qi9C-2w9sA:
39.63
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) 		9 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.62A 4qi9C-2w9sA:
21.9		 4qi9C-2w9sA:
39.63
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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 ALA A 142
SER A 254
ILE A 253
LEU A 335
ARG A 111
 None
 1.28A 4qi9C-2x24A:
undetectable		 4qi9C-2x24A:
12.20
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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 ILE A 147
SER A 254
ILE A 253
LEU A 335
ARG A 111
 None
 1.15A 4qi9C-2x24A:
undetectable		 4qi9C-2x24A:
12.20
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ALA A 198
SER A 411
ILE A 296
LEU A 166
THR A 438
 None
AMP  A1001 (-3.1A)
None
None
None
 1.29A 4qi9C-2zr2A:
undetectable		 4qi9C-2zr2A:
18.10
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.49A 4qi9C-3dfrA:
21.0		 4qi9C-3dfrA:
29.31
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.63A 4qi9C-3dg8A:
18.0		 4qi9C-3dg8A:
21.91
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
ASP A  54
SER A 111
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.57A 4qi9C-3dg8A:
18.0		 4qi9C-3dg8A:
21.91
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 248
ASP A 408
SER A 304
ILE A 305
THR A 437
 None
 1.25A 4qi9C-3g25A:
undetectable		 4qi9C-3g25A:
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 ILE A 424
ASP A 388
SER A 435
ARG A 433
LEU A 431
 None
 1.21A 4qi9C-3hlkA:
2.4		 4qi9C-3hlkA:
19.66
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) 		9 ALA X   7
ASP X  27
LYS X  32
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.78A 4qi9C-3i8aX:
22.0		 4qi9C-3i8aX:
39.13
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) 		8 ILE A   6
ALA A   8
LYS A  33
ILE A  51
ARG A  53
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.44A 4qi9C-3ia4A:
24.3		 4qi9C-3ia4A:
56.71
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) 		9 ILE A   6
ALA A   8
SER A  50
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.59A 4qi9C-3ia4A:
24.3		 4qi9C-3ia4A:
56.71
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.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		5 ILE A 106
ALA A  81
ILE A  73
LEU A 132
THR A  84
 None
 1.17A 4qi9C-3iv7A:
2.6		 4qi9C-3iv7A:
19.34
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) 		6 ILE A   8
ALA A  10
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.67A 4qi9C-3ix9A:
22.0		 4qi9C-3ix9A:
33.50
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		5 ILE P 185
ALA P 219
SER P 223
ILE P 230
LEU P 334
 None
 1.30A 4qi9C-3izyP:
undetectable		 4qi9C-3izyP:
15.58
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.
3jd5 28S RIBOSOMAL
PROTEIN S11,
MITOCHONDRIAL

(Bos taurus) 		PF00411
(Ribosomal_S11) 		5 ILE K 100
ALA K  93
LYS K 166
ILE K 178
THR K  98
 None
 1.22A 4qi9C-3jd5K:
undetectable		 4qi9C-3jd5K:
22.60
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.68A 4qi9C-3kjrA:
17.7		 4qi9C-3kjrA:
18.09
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.44A 4qi9C-3kjrA:
17.7		 4qi9C-3kjrA:
18.09
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.66A 4qi9C-3kjrA:
17.7		 4qi9C-3kjrA:
18.09
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.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		5 ILE A  83
ALA A  72
ILE A 291
ARG A 341
LEU A 378
 None
GOL  A 515 ( 4.4A)
OZ2  A 502 (-4.8A)
None
None
 1.29A 4qi9C-3oz2A:
undetectable		 4qi9C-3oz2A:
17.86
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 ILE A1214
ASP A1236
SER A1305
ILE A1161
LEU A1187
 None
 1.16A 4qi9C-3qcwA:
undetectable		 4qi9C-3qcwA:
9.88
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 1.05A 4qi9C-3rg9A:
17.0		 4qi9C-3rg9A:
27.98
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
None
WRA  A 602 (-4.2A)
 0.40A 4qi9C-3rg9A:
17.0		 4qi9C-3rg9A:
27.98
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.
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)
 0.69A 4qi9C-3rg9A:
17.0		 4qi9C-3rg9A:
27.98
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) 		5 ALA A   7
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.04A 4qi9C-3tq9A:
22.4		 4qi9C-3tq9A:
47.93
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) 		9 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.52A 4qi9C-3tq9A:
22.4		 4qi9C-3tq9A:
47.93
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.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		5 ILE A 142
ASP A 163
LYS A 154
ILE A 208
LEU A 139
 None
 1.24A 4qi9C-3u4yA:
undetectable		 4qi9C-3u4yA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.80A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 1.00A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.48A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.67A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
ILE A  57
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
 0.62A 4qi9C-3vcoA:
18.2		 4qi9C-3vcoA:
29.35
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
LYS A  33
ILE A  57
TYR A 117
THR A 133
 None
 0.91A 4qi9C-3vcoA:
18.2		 4qi9C-3vcoA:
29.35
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
SER A  56
LEU A  64
ARG A  67
TYR A 117
 None
 0.82A 4qi9C-3vcoA:
18.2		 4qi9C-3vcoA:
29.35
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ALA B 146
ASP B 180
SER B 220
ILE B 221
LEU B 200
 None
 1.24A 4qi9C-3vlbB:
undetectable		 4qi9C-3vlbB:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 780
ALA A 748
SER A 739
ILE A 738
LEU A 713
 None
EDO  A1005 (-3.6A)
None
None
None
 1.14A 4qi9C-4ckrA:
undetectable		 4qi9C-4ckrA:
19.05
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) 		8 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.76A 4qi9C-4g8zX:
17.5		 4qi9C-4g8zX:
31.28
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) 		8 ILE A   9
ALA A  11
LYS A  37
ILE A  62
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.93A 4qi9C-4h96A:
16.0		 4qi9C-4h96A:
31.41
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
LYS A  37
SER A  61
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
None
14Q  A 202 (-3.9A)
None
None
None
 0.88A 4qi9C-4h96A:
16.0		 4qi9C-4h96A:
31.41
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.69A 4qi9C-4h98A:
17.0		 4qi9C-4h98A:
29.72
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) 		5 ALA A   7
ASP A  27
LEU A  50
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 1.14A 4qi9C-4m2xA:
19.8		 4qi9C-4m2xA:
33.14
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) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
None
TMQ  A 202 (-4.2A)
 0.44A 4qi9C-4m2xA:
19.8		 4qi9C-4m2xA:
33.14
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)
 0.62A 4qi9C-4m2xA:
19.8		 4qi9C-4m2xA:
33.14
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) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  55
ARG A  58
THR A 116
 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)
RAR  A 200 (-4.4A)
 0.60A 4qi9C-4m7vA:
21.8		 4qi9C-4m7vA:
38.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 ILE A   8
ALA A  30
ILE A 326
ARG A 318
LEU A 316
 None
 1.13A 4qi9C-4n9xA:
undetectable		 4qi9C-4n9xA:
16.79
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) 		8 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.44A 4qi9C-4p68A:
25.2		 4qi9C-4p68A:
80.00
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) 		7 ILE A   5
ALA A   7
ASP A  27
SER A  49
ARG A  57
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)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.56A 4qi9C-4p68A:
25.2		 4qi9C-4p68A:
80.00
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 ALA A 897
ILE A 801
LEU A 829
TYR A 879
THR A 895
 None
 1.28A 4qi9C-4p7hA:
undetectable		 4qi9C-4p7hA:
10.20
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.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 ALA A 366
SER A 377
ILE A 376
LEU A 409
TYR A 198
 None
 1.00A 4qi9C-5ci5A:
undetectable		 4qi9C-5ci5A:
16.99
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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 ILE A  49
ALA A  93
ILE A  89
LEU A  60
THR A  73
 None
None
None
None
SO4  A 404 (-4.3A)
 1.31A 4qi9C-5dt9A:
undetectable		 4qi9C-5dt9A:
18.51
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) 		7 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.52A 4qi9C-5dxvA:
17.7		 4qi9C-5dxvA:
53.80
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) 		7 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.60A 4qi9C-5dxvA:
17.7		 4qi9C-5dxvA:
53.80
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) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.46A 4qi9C-5fdaA:
20.0		 4qi9C-5fdaA:
100.00
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) 		6 ILE A   6
ALA A   8
SER A  50
LEU A  55
TYR A 101
THR A 114
 None
 0.67A 4qi9C-5fdaA:
20.0		 4qi9C-5fdaA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE q  35
ALA q 107
LYS q  83
SER q 540
ILE q 541
 None
 1.29A 4qi9C-5gw5q:
undetectable		 4qi9C-5gw5q:
15.41
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.18A 4qi9C-5husA:
undetectable		 4qi9C-5husA:
19.44
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 ILE B 278
SER B 347
ILE B 346
LEU B 341
THR B 280
 None
 1.15A 4qi9C-5hz1B:
undetectable		 4qi9C-5hz1B:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 108
ALA A 427
ILE A 312
ARG A 315
LEU A 625
 None
 1.19A 4qi9C-5k3hA:
undetectable		 4qi9C-5k3hA:
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 ILE A 301
ALA A 214
SER A  75
ILE A  76
LEU A  64
 None
 1.21A 4qi9C-5kucA:
undetectable		 4qi9C-5kucA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
ASP A  31
SER A  86
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
None
None
None
73X  A 704 (-4.2A)
 0.62A 4qi9C-5t0lA:
18.1		 4qi9C-5t0lA:
16.19
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 ALA A  87
ASP A  82
SER A  71
ILE A 231
ARG A 230
 None
None
None
None
FLC  A 401 (-3.6A)
 1.16A 4qi9C-5yhpA:
undetectable		 4qi9C-5yhpA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4qi9C-6cxmA:
18.3		 4qi9C-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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.65A 4qi9C-6cxmA:
18.3		 4qi9C-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 7 ALA A   7
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.59A 4qi9C-6e4eA:
22.2		 4qi9C-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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L  95
SER L 245
ILE L 247
LEU L 439
THR L 212
 None
 1.14A 4qi9C-6ehsL:
undetectable		 4qi9C-6ehsL:
19.75
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.
6er3 BNR/ASP-BOX REPEAT
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ALA A 143
SER A 148
ILE A 150
ARG A  70
TYR A 127
 None
 1.20A 4qi9C-6er3A:
undetectable		 4qi9C-6er3A:
17.96