SIMILAR PATTERNS OF AMINO ACIDS FOR 1D1G_A_MTXA171_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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ALA A 352
ARG A 295
ILE A 302
LEU A  41
ILE A  57
 None
 1.06A 1d1gA-1as4A:
undetectable		 1d1gA-1as4A:
21.10
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 GLU A 602
ILE A 601
LEU A 585
ILE A 598
THR A 553
 None
 1.12A 1d1gA-1ciyA:
undetectable		 1d1gA-1ciyA:
14.19
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) 		8 ALA A   8
ASP A  27
GLU A  50
ARG A  53
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.70A 1d1gA-1cz3A:
31.2		 1d1gA-1cz3A:
100.00
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) 		8 ALA A   8
ASP A  27
GLU A  50
ILE A  51
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.36A 1d1gA-1cz3A:
31.2		 1d1gA-1cz3A:
100.00
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 ARG A  32
GLU A  50
ILE A  51
LEU A  55
ILE A 100
 None
 1.15A 1d1gA-1cz3A:
31.2		 1d1gA-1cz3A:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
None
None
None
HBI  A 198 ( 4.5A)
 0.63A 1d1gA-1dr6A:
16.7		 1d1gA-1dr6A:
27.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 177
ILE A  89
LEU A  94
ARG A 253
ILE A 104
 None
 1.22A 1d1gA-1e5mA:
undetectable		 1d1gA-1e5mA:
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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 ALA A 670
LYS A 493
ILE A 681
LEU A 490
ILE A 500
 None
 1.33A 1d1gA-1mt0A:
undetectable		 1d1gA-1mt0A:
21.34
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		5 ALA A 163
ARG A 216
LEU A 152
ILE A 154
THR A 162
 None
 1.25A 1d1gA-1ohfA:
undetectable		 1d1gA-1ohfA:
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.
1q7y 50S RIBOSOMAL
PROTEIN L31E

(Haloarcula
marismortui) 		PF01198
(Ribosomal_L31e) 		5 ARG Y  34
GLU Y  88
LEU Y  37
ILE Y  12
THR Y  66
 G  A1385 ( 3.3A)
None
None
None
None
 1.31A 1d1gA-1q7yY:
undetectable		 1d1gA-1q7yY:
23.23
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.
1qyi HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF13242
(Hydrolase_like) 		5 ARG A 370
ILE A   4
LEU A 373
ILE A 339
THR A 343
 None
 1.28A 1d1gA-1qyiA:
undetectable		 1d1gA-1qyiA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B
CYTOLETHAL
DISTENDING TOXIN
PROTEIN C

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos)
PF03498
(CDtoxinA) 		5 ALA C 124
ILE C  40
LEU C  68
ILE B  47
THR C 120
 None
 1.25A 1d1gA-1sr4C:
undetectable		 1d1gA-1sr4C:
20.11
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		5 ALA C 198
ILE C 211
LEU C 215
ILE C 237
THR C 195
 None
 1.11A 1d1gA-1u6gC:
undetectable		 1d1gA-1u6gC:
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.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 ALA A   7
ASP A  11
ILE A 129
ILE A   4
THR A   8
 None
 1.25A 1d1gA-1u6mA:
undetectable		 1d1gA-1u6mA:
19.02
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 (-4.4A)
 0.49A 1d1gA-1u70A:
16.7		 1d1gA-1u70A:
25.95
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
ILE A  60
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.36A 1d1gA-1u71A:
16.5		 1d1gA-1u71A:
28.27
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 5 ALA B 312
ASP B 316
ARG B 334
ILE B 259
THR B 313
 None
 1.12A 1d1gA-1xnjB:
undetectable		 1d1gA-1xnjB:
14.70
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) 		7 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.44A 1d1gA-1zdrA:
19.1		 1d1gA-1zdrA:
32.77
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ALA A 243
ILE A 238
LEU A 153
ILE A 215
THR A 219
 None
 1.06A 1d1gA-2acvA:
undetectable		 1d1gA-2acvA:
17.38
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) 		7 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.61A 1d1gA-2blbA:
18.3		 1d1gA-2blbA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
LYS A  55
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 1.18A 1d1gA-2blbA:
18.3		 1d1gA-2blbA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 ALA A 137
ILE A 204
LEU A 123
ILE A  96
THR A 138
 None
MLY  A 201 ( 4.6A)
None
None
None
 1.01A 1d1gA-2f4iA:
undetectable		 1d1gA-2f4iA:
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.
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
ILE A 154
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.61A 1d1gA-2h2qA:
18.2		 1d1gA-2h2qA:
16.50
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.
2hpv FMN-DEPENDENT
NADH-AZOREDUCTASE

(Enterococcus
faecalis) 		PF02525
(Flavodoxin_2) 		5 GLU A  38
ILE A  39
ARG A  31
LEU A  27
THR A  49
 None
 1.19A 1d1gA-2hpvA:
2.5		 1d1gA-2hpvA:
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		6 ALA A 441
GLU A 472
ILE A 473
ARG A 463
LEU A 459
THR A 437
 None
 1.22A 1d1gA-2hxgA:
undetectable		 1d1gA-2hxgA:
15.80
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.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 LYS A 404
ILE A 514
LEU A 420
ILE A 462
THR A 466
 None
 1.32A 1d1gA-2hyxA:
undetectable		 1d1gA-2hyxA:
19.69
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		5 GLU A 112
ILE A 111
ARG A 114
LEU A  58
ILE A  66
 None
 1.30A 1d1gA-2jigA:
undetectable		 1d1gA-2jigA:
21.79
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.
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
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.50A 1d1gA-2oipA:
19.5		 1d1gA-2oipA:
16.76
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LYS A  34
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
None
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.94A 1d1gA-2oipA:
19.5		 1d1gA-2oipA:
16.76
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.69A 1d1gA-2qk8A:
19.9		 1d1gA-2qk8A:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcy PYRROLINE
CARBOXYLATE
REDUCTASE

(Plasmodium
falciparum) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLU A   3
ILE A  29
LEU A   7
ILE A 144
THR A 136
 None
 1.15A 1d1gA-2rcyA:
undetectable		 1d1gA-2rcyA:
20.99
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
ARG A  64
ILE A 102
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 0.61A 1d1gA-2w3wA:
18.7		 1d1gA-2w3wA:
29.44
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  61
ILE A 102
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 0.45A 1d1gA-2w3wA:
18.7		 1d1gA-2w3wA:
29.44
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 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.49A 1d1gA-2w9sA:
19.1		 1d1gA-2w9sA:
32.20
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.
2wus PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF13413
(HTH_25) 		5 ALA R  26
LYS R  15
ILE R  58
LEU R   8
ILE R  40
 None
 1.22A 1d1gA-2wusR:
undetectable		 1d1gA-2wusR:
26.88
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 0.96A 1d1gA-2xwbF:
undetectable		 1d1gA-2xwbF:
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ASP A  99
GLU A 298
ILE A 299
ARG A 160
LEU A 155
 None
 1.22A 1d1gA-3b74A:
undetectable		 1d1gA-3b74A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ALA A  79
ILE A 369
LEU A 373
ARG A 452
THR A  76
 None
 1.32A 1d1gA-3dc8A:
undetectable		 1d1gA-3dc8A:
16.50
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
ASP A  26
ARG A  31
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
None
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.85A 1d1gA-3dfrA:
19.1		 1d1gA-3dfrA:
30.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
ARG A  59
ILE A 112
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.89A 1d1gA-3dg8A:
17.5		 1d1gA-3dg8A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 265
ARG A 264
GLU A 188
ILE A  10
LEU A  38
 None
CL  A 388 (-2.8A)
None
None
None
 1.23A 1d1gA-3goaA:
undetectable		 1d1gA-3goaA:
18.16
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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I

(Cytophaga
hutchinsonii) 		PF00425
(Chorismate_bind) 		5 ASP A  25
GLU A  17
ILE A  16
LEU A  50
ILE A 140
 None
 1.22A 1d1gA-3h9mA:
undetectable		 1d1gA-3h9mA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ALA A 147
ASP A 376
ILE A 362
LEU A 388
ILE A 227
 None
 1.31A 1d1gA-3hbjA:
undetectable		 1d1gA-3hbjA:
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 ALA A 196
ARG A 180
ILE A 226
LEU A 183
ILE A 125
 None
 1.33A 1d1gA-3i4jA:
undetectable		 1d1gA-3i4jA:
17.77
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) 		6 ALA X   7
ASP X  27
ILE X  50
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.51A 1d1gA-3i8aX:
19.0		 1d1gA-3i8aX:
35.09
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 ALA A   8
ARG A  53
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
MTX  A 164 (-4.3A)
 0.66A 1d1gA-3ia4A:
20.3		 1d1gA-3ia4A:
31.35
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 ALA A   8
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
MTX  A 164 (-4.3A)
 0.37A 1d1gA-3ia4A:
20.3		 1d1gA-3ia4A:
31.35
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
GLU A  50
ILE A  49
LEU A  32
THR A  61
 None
 1.29A 1d1gA-3kaoA:
undetectable		 1d1gA-3kaoA:
21.56
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
ARG A  42
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.93A 1d1gA-3kjrA:
17.7		 1d1gA-3kjrA:
16.87
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.
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
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.64A 1d1gA-3kjrA:
17.7		 1d1gA-3kjrA:
16.87
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.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 ALA A 685
GLU A 629
ILE A 630
ARG A 634
LEU A 654
 None
 1.26A 1d1gA-3kulA:
undetectable		 1d1gA-3kulA:
19.69
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		5 GLU A  12
ILE A   8
ARG A 208
ILE A 207
THR A 250
 None
 1.32A 1d1gA-3l0oA:
undetectable		 1d1gA-3l0oA:
19.31
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.
3n2e SHIKIMATE KINASE

(Helicobacter
pylori) 		PF01202
(SKI) 		5 ILE A  35
ARG A  39
LEU A  63
ILE A  76
THR A  72
 None
 1.16A 1d1gA-3n2eA:
undetectable		 1d1gA-3n2eA:
21.08
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 ALA A 588
GLU A 653
ILE A 652
LEU A 635
ILE A 607
 None
 0.99A 1d1gA-3pihA:
undetectable		 1d1gA-3pihA:
12.31
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.
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
ILE A 160
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 ( 3.9A)
WRA  A 602 (-4.2A)
 0.29A 1d1gA-3rg9A:
18.1		 1d1gA-3rg9A:
28.57
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.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		5 ALA A 365
ILE A 377
LEU A 401
ILE A 388
THR A 362
 None
 1.31A 1d1gA-3rq1A:
2.7		 1d1gA-3rq1A:
18.69
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 ALA A 744
LYS A 328
ARG A 324
LEU A 321
THR A 741
 None
 1.24A 1d1gA-3tlmA:
2.4		 1d1gA-3tlmA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.32A 1d1gA-3tq9A:
20.1		 1d1gA-3tq9A:
29.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.74A 1d1gA-3um6A:
17.6		 1d1gA-3um6A:
14.71
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		5 ALA A  86
ASP A  84
GLU A  29
LEU A  34
ILE A  91
 None
 1.13A 1d1gA-3umcA:
undetectable		 1d1gA-3umcA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 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
ILE A 111
THR A 133
 None
 0.59A 1d1gA-3vcoA:
16.7		 1d1gA-3vcoA:
25.00
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		5 ALA A 140
LYS A 197
ARG A 196
ILE A 203
THR A 141
 None
 1.30A 1d1gA-3vohA:
undetectable		 1d1gA-3vohA:
18.40
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.
3vuu ERYTHROCYTE MEMBRANE
PROTEIN, PUTATIVE

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		5 ALA A 306
ARG A 208
ILE A 215
LEU A 213
ILE A 234
 None
 1.27A 1d1gA-3vuuA:
undetectable		 1d1gA-3vuuA:
19.41
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.
3vuv ERYTHROCYTE MEMBRANE
PROTEIN, PUTATIVE

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		5 ALA A 306
ARG A 208
ILE A 215
LEU A 213
ILE A 234
 None
 1.25A 1d1gA-3vuvA:
undetectable		 1d1gA-3vuvA:
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		5 ALA A  96
ASP A 148
ILE A  39
LEU A  35
ILE A 101
 None
 1.20A 1d1gA-4akkA:
undetectable		 1d1gA-4akkA:
16.58
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ALA A 339
ARG A 388
LYS A 387
ARG A 298
ILE A  25
 None
 1.03A 1d1gA-4bhdA:
undetectable		 1d1gA-4bhdA:
16.05
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 ALA P 168
LYS P  36
ILE P 176
LEU P 386
ARG P  60
 None
 1.28A 1d1gA-4dvyP:
undetectable		 1d1gA-4dvyP:
11.59
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		5 ALA A 146
ASP A 149
ARG A 246
ILE A 177
LEU A 108
 None
 1.26A 1d1gA-4eayA:
undetectable		 1d1gA-4eayA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.60A 1d1gA-4g8zX:
17.0		 1d1gA-4g8zX:
26.73
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 ALA A 273
ARG A 250
ILE A 233
ILE A 245
THR A 274
 None
 1.04A 1d1gA-4gnrA:
undetectable		 1d1gA-4gnrA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  62
LEU A  69
ARG A  72
ILE A 112
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
 0.76A 1d1gA-4h96A:
16.4		 1d1gA-4h96A:
28.35
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  62
LEU A  69
ARG A  72
ILE A 121
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
14Q  A 302 (-4.2A)
 0.48A 1d1gA-4h98A:
16.5		 1d1gA-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.
4h9p DEATH
DOMAIN-ASSOCIATED
PROTEIN 6

(Homo sapiens) 		no annotation 5 ALA C 292
GLU C 272
ILE C 257
ARG C 327
LEU C 324
 None
 1.19A 1d1gA-4h9pC:
undetectable		 1d1gA-4h9pC:
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.
4jwp GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13420
(Acetyltransf_4) 		5 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.15A 1d1gA-4jwpA:
undetectable		 1d1gA-4jwpA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 ALA A 108
LYS A   5
ILE A 259
LEU A  70
ILE A 112
 None
 1.25A 1d1gA-4jwyA:
undetectable		 1d1gA-4jwyA:
21.30
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 ALA A   7
ASP A  27
ARG A  32
ARG A  60
ILE A  94
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 1.22A 1d1gA-4m2xA:
17.3		 1d1gA-4m2xA:
31.28
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 ALA A   7
ASP A  27
LEU A  57
ARG A  60
ILE A  94
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 0.45A 1d1gA-4m2xA:
17.3		 1d1gA-4m2xA:
31.28
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 ALA A   7
ASP A  27
LYS A  29
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 ( 4.2A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.69A 1d1gA-4m7vA:
19.1		 1d1gA-4m7vA:
30.90
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 ALA A   7
ASP A  27
ILE A  50
ARG A  57
ILE A  94
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
MTX  A 201 ( 4.5A)
 0.36A 1d1gA-4p68A:
20.0		 1d1gA-4p68A:
30.46
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 LYS A  94
ILE A 358
LEU A 386
ARG A 394
ILE A 395
 None
 1.22A 1d1gA-4qbuA:
undetectable		 1d1gA-4qbuA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		5 ALA A 452
ARG A 381
ILE A 457
ILE A 443
THR A 450
 None
 1.01A 1d1gA-4wiwA:
undetectable		 1d1gA-4wiwA:
20.23
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH) 		5 ALA B 141
LYS B  23
ILE B 149
LEU B 183
ILE B 185
 None
 1.32A 1d1gA-4xb6B:
undetectable		 1d1gA-4xb6B:
23.08
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 ASP A 439
ILE A 178
LEU A 182
ILE A 197
THR A 447
 None
 1.10A 1d1gA-4zcfA:
undetectable		 1d1gA-4zcfA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5av7 LECTIN

(Calystegia
sepium) 		PF01419
(Jacalin) 		5 GLU A  73
ILE A  33
LEU A  45
ILE A 102
THR A 106
 None
 1.28A 1d1gA-5av7A:
undetectable		 1d1gA-5av7A:
20.69
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.
5bnn CAPSID PROTEIN VP1

(Enterovirus D) 		PF00073
(Rhv) 		5 ALA A 126
LYS A  72
ILE A 224
LEU A 143
ILE A 175
 None
 1.32A 1d1gA-5bnnA:
undetectable		 1d1gA-5bnnA:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 ARG A 187
LYS A 190
GLU A 206
LEU A 167
ILE A 182
 None
 1.22A 1d1gA-5d3mA:
undetectable		 1d1gA-5d3mA:
20.78
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 ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.48A 1d1gA-5dxvA:
13.5		 1d1gA-5dxvA:
30.43
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.
5fl3 PILI RETRACTION
PROTEIN PILT

(Thermus
thermophilus) 		PF00437
(T2SSE) 		5 ARG A 301
GLU A 292
ILE A 273
LEU A 270
ILE A 247
 None
 1.00A 1d1gA-5fl3A:
undetectable		 1d1gA-5fl3A:
20.62
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLU C 120
ILE C 122
LEU C 437
ILE C 451
THR C 482
 None
 1.23A 1d1gA-5fseC:
undetectable		 1d1gA-5fseC:
14.46
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 124
ILE A  62
ARG A  65
LEU A  66
ILE A  74
 None
 1.04A 1d1gA-5kp7A:
undetectable		 1d1gA-5kp7A:
15.65
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ALA A 655
ARG A 659
GLU A 714
ILE A 715
ARG A 668
 None
 1.09A 1d1gA-5mswA:
undetectable		 1d1gA-5mswA:
9.70
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 0.19A 1d1gA-5t0lA:
17.7		 1d1gA-5t0lA:
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.
5y28 -

(-) 		no annotation 5 ALA A 214
ASP A 213
ILE A 169
LEU A 196
ILE A 210
 None
 1.30A 1d1gA-5y28A:
undetectable		 1d1gA-5y28A:
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.
5yf0 -

(-) 		no annotation 5 ALA A 224
ARG A 196
ILE A 337
ARG A 406
ILE A 188
 None
 1.30A 1d1gA-5yf0A:
undetectable		 1d1gA-5yf0A:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 444
ASP A 415
LYS A 413
LEU A 376
ILE A 409
 None
 1.12A 1d1gA-6aonA:
undetectable		 1d1gA-6aonA:
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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 ALA A 199
GLU A  67
ILE A  66
ARG A 129
LEU A 133
 None
MN  A 401 (-2.0A)
None
None
None
 1.26A 1d1gA-6cwoA:
undetectable		 1d1gA-6cwoA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.44A 1d1gA-6cxmA:
16.8		 1d1gA-6cxmA:
29.52
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.46A 1d1gA-6e4eA:
18.9		 1d1gA-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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 ASP A 632
GLU A 534
ILE A 535
ARG A 537
ILE A 635
 None
None
None
B7E  A 901 (-3.9A)
None
 1.22A 1d1gA-6ej2A:
undetectable		 1d1gA-6ej2A:
19.28
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.
6f3m -

(-) 		no annotation 5 ALA B 250
GLU B 327
ILE B 328
LEU B 309
ILE B 294
 NAD  B 501 ( 4.6A)
None
None
None
None
 0.99A 1d1gA-6f3mB:
undetectable		 1d1gA-6f3mB:
undetectable