SIMILAR PATTERNS OF AMINO ACIDS FOR 4DCM_A_SAMA401_0

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.
1bhy P64K

(Neisseria
meningitidis)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A 439
GLY A 273
ILE A 270
ASP A 440
PRO A 132
FAD  A 600 (-3.3A)
FAD  A 600 (-3.3A)
None
FAD  A 600 (-2.7A)
FAD  A 600 (-3.4A)
1.15A 4dcmA-1bhyA:
3.7
4dcmA-1bhyA:
22.59
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.
1dus MJ0882

(Methanocaldococcus
jannaschii)
PF05175
(MTS)
8 PHE A  35
ASP A  61
GLY A  63
GLY A  65
ILE A  69
ASP A  84
ASN A 129
PRO A 131
None
0.57A 4dcmA-1dusA:
14.5
4dcmA-1dusA:
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae)
PF00026
(Asp)
5 GLY A  34
GLY A 217
ILE A 214
ASP A  32
ASN A  37
None
0.90A 4dcmA-1g0vA:
undetectable
4dcmA-1g0vA:
22.17
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92)
PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C)
5 GLY A 145
GLY A 149
ILE A 112
ASP A 146
ASN A 126
CA  A 700 ( 4.9A)
None
None
CA  A 700 (-3.2A)
None
1.08A 4dcmA-1h3gA:
undetectable
4dcmA-1h3gA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE


(Sus scrofa)
PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21)
5 GLY A 480
GLY A 284
ILE A 281
ASP A 481
PRO A 197
FAD  A1031 (-3.4A)
FAD  A1031 (-3.6A)
None
FAD  A1031 (-3.0A)
FAD  A1031 (-3.7A)
1.10A 4dcmA-1h7wA:
3.2
4dcmA-1h7wA:
15.52
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE


(Saccharomyces
cerevisiae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ALA A 504
GLY A 549
ILE A 547
ASP A 550
GLU A 578
None
TPP  A 700 (-3.6A)
None
MG  A 699 ( 2.8A)
None
1.03A 4dcmA-1jscA:
3.7
4dcmA-1jscA:
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE


(Pseudomonas
fluorescens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A 317
GLY A 151
ILE A 148
ASP A 318
PRO A  13
FAD  A 480 (-3.4A)
FAD  A 480 (-3.4A)
None
FAD  A 480 (-2.9A)
FAD  A 480 (-3.5A)
1.10A 4dcmA-1lpfA:
3.8
4dcmA-1lpfA:
22.38
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320


(Thermoplasma
acidophilum)
PF06325
(PrmA)
5 ASP A  54
GLY A  56
GLY A  58
ASN A 114
PRO A 116
None
0.78A 4dcmA-1ne2A:
13.6
4dcmA-1ne2A:
19.20
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320


(Thermoplasma
acidophilum)
PF06325
(PrmA)
5 ASP A  54
GLY A  56
GLY A  58
ASP A  78
ASN A 114
None
0.43A 4dcmA-1ne2A:
13.6
4dcmA-1ne2A:
19.20
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.
1nw5 MODIFICATION
METHYLASE RSRI


(Rhodobacter
sphaeroides)
PF01555
(N6_N4_Mtase)
5 ASP A 248
GLY A 252
ILE A  63
ASP A 271
PRO A  67
None
SAM  A 401 (-3.3A)
None
SAM  A 401 (-2.9A)
SAM  A 401 (-4.3A)
0.86A 4dcmA-1nw5A:
4.3
4dcmA-1nw5A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2


(Synechocystis
sp. PCC 6803)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
5 PHE A1383
ALA A1375
GLY A1361
GLY A1380
ILE A1359
None
1.09A 4dcmA-1ofeA:
undetectable
4dcmA-1ofeA:
14.38
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.
1ri0 HEPATOMA-DERIVED
GROWTH FACTOR


(Homo sapiens)
PF00855
(PWWP)
5 PHE A  49
ILE A  30
GLU A  88
ASN A  91
PRO A  27
None
1.08A 4dcmA-1ri0A:
undetectable
4dcmA-1ri0A:
13.62
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima)
PF05175
(MTS)
8 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ILE A 135
ASP A 151
ASN A 197
PRO A 199
SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.9A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
0.57A 4dcmA-1sg9A:
17.2
4dcmA-1sg9A:
22.83
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.
1tdf THIOREDOXIN
REDUCTASE


(Escherichia
coli)
PF07992
(Pyr_redox_2)
5 GLY A 285
GLY A 113
ILE A 110
ASP A 286
PRO A  15
FAD  A 500 (-3.1A)
FAD  A 500 (-3.5A)
None
FAD  A 500 (-2.0A)
FAD  A 500 (-3.6A)
1.10A 4dcmA-1tdfA:
2.7
4dcmA-1tdfA:
23.39
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.
1u3d CRYPTOCHROME 1
APOPROTEIN


(Arabidopsis
thaliana)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
5 PHE A  18
ALA A  29
ASP A 139
GLY A 257
ASN A  27
None
1.00A 4dcmA-1u3dA:
undetectable
4dcmA-1u3dA:
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1


(Pyrococcus
furiosus)
PF00291
(PALP)
5 ALA B 103
GLY B 130
GLY B 106
ILE B 127
ASP B 133
None
1.13A 4dcmA-1wdwB:
undetectable
4dcmA-1wdwB:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948


(Pyrococcus
horikoshii)
PF05175
(MTS)
5 ASP A  55
GLY A  57
GLY A  59
ASN A 119
PRO A 121
SAH  A1001 ( 4.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.6A)
None
0.48A 4dcmA-1wy7A:
16.9
4dcmA-1wy7A:
22.19
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.
1xnt PROTEIN (DNA-REPAIR
PROTEIN XRCC1)


(Homo sapiens)
PF01834
(XRCC1_N)
5 GLY A 143
GLY A  64
ASP A  63
ASN A  23
PRO A 141
None
0.91A 4dcmA-1xntA:
undetectable
4dcmA-1xntA:
17.72
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.
1xzw PURPLE ACID
PHOSPHATASE


(Ipomoea batatas)
PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N)
6 GLY A  39
GLY A  33
ILE A  42
ASP A  34
GLU A  36
PRO A 118
None
1.16A 4dcmA-1xzwA:
undetectable
4dcmA-1xzwA:
20.51
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.
1y8t HYPOTHETICAL PROTEIN
RV0983


(Mycobacterium
tuberculosis)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
6 ALA A 163
GLY A 167
GLY A 121
ILE A 164
GLU A  23
ASN A 165
None
1.11A 4dcmA-1y8tA:
undetectable
4dcmA-1y8tA:
26.08
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
5 ASP A 882
GLY A 883
GLY A 939
ASP A 936
GLU A 934
None
1.00A 4dcmA-1yq2A:
undetectable
4dcmA-1yq2A:
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A 308
GLY A 143
ILE A 140
ASP A 309
PRO A  13
FAD  A 480 (-3.2A)
FAD  A 480 (-3.2A)
None
FAD  A 480 (-2.8A)
FAD  A 480 (-4.0A)
1.12A 4dcmA-2a8xA:
2.6
4dcmA-2a8xA:
22.97
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK


(Escherichia
coli)
PF13847
(Methyltransf_31)
7 ASP A 115
GLY A 117
GLY A 119
ILE A 123
ASP A 140
ASN A 183
PRO A 185
None
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
0.48A 4dcmA-2b3tA:
20.2
4dcmA-2b3tA:
22.45
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
5 ALA A 542
GLY A 452
GLY A 535
ILE A 529
ASN A 459
None
1.14A 4dcmA-2bklA:
undetectable
4dcmA-2bklA:
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.
2cyg BETA-1, 3-GLUCANANSE

(Musa acuminata)
PF00332
(Glyco_hydro_17)
5 ALA A 136
GLY A  98
ILE A 140
ASP A  99
ASN A 139
None
0.96A 4dcmA-2cygA:
undetectable
4dcmA-2cygA:
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN


(Homo sapiens)
PF05971
(Methyltransf_10)
5 ASP A  71
GLY A  73
GLY A  75
ASN A 147
PRO A 149
SAH  A 300 ( 4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.9A)
SAH  A 300 (-4.0A)
0.66A 4dcmA-2h00A:
14.4
4dcmA-2h00A:
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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE


(Plasmodium
falciparum)
PF00398
(RrnaAD)
5 GLY A  29
GLY A  31
ASP A  50
ASN A  92
PRO A  94
None
0.90A 4dcmA-2h1rA:
10.7
4dcmA-2h1rA:
21.65
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.
2iht CARBOXYETHYLARGININE
SYNTHASE


(Streptomyces
clavuligerus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ASP A 409
GLY A 462
GLY A 464
ILE A 410
GLU A 556
None
TPP  A 600 (-3.4A)
TPP  A 600 (-3.5A)
TPP  A 600 (-4.5A)
None
1.12A 4dcmA-2ihtA:
undetectable
4dcmA-2ihtA:
20.97
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.
2o52 RAS-RELATED PROTEIN
RAB-4B


(Homo sapiens)
PF00071
(Ras)
5 ALA A 152
GLY A  18
GLU A  94
ASN A  97
ASN A 121
GDP  A 601 (-3.6A)
GDP  A 601 (-3.5A)
None
None
GDP  A 601 (-3.3A)
1.09A 4dcmA-2o52A:
3.6
4dcmA-2o52A:
22.49
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636


(Agrobacterium
fabrum)
PF05175
(MTS)
5 ALA A  33
ASP A  50
GLY A  52
ASN A 130
PRO A 132
None
0.94A 4dcmA-2ozvA:
11.8
4dcmA-2ozvA:
22.91
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE


(Agrobacterium
fabrum)
PF13489
(Methyltransf_23)
5 ASP A  36
GLY A  38
GLY A  40
ASP A  61
ASN A  99
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.8A)
0.93A 4dcmA-2p35A:
11.9
4dcmA-2p35A:
24.54
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C


(Escherichia
coli)
PF05175
(MTS)
PF08468
(MTS_N)
7 ASP A 202
GLY A 204
GLY A 206
ASP A 227
ASN A 253
ASN A 268
PRO A 270
None
0.71A 4dcmA-2pjdA:
31.3
4dcmA-2pjdA:
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.
2q0l THIOREDOXIN
REDUCTASE


(Helicobacter
pylori)
PF07992
(Pyr_redox_2)
5 GLY A 280
GLY A 111
ILE A 108
ASP A 281
PRO A  11
FAD  A 400 (-3.3A)
FAD  A 400 (-3.3A)
None
FAD  A 400 (-2.7A)
FAD  A 400 (-3.4A)
1.05A 4dcmA-2q0lA:
3.4
4dcmA-2q0lA:
23.71
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.
2ru4 ARMADILLO REPEAT
PROTEIN, N-TERMINAL
FRAGMENT, YIIM2


(synthetic
construct)
PF00514
(Arm)
5 ALA A 108
GLY A  74
ILE A 112
GLU A  34
ASN A 111
None
1.10A 4dcmA-2ru4A:
undetectable
4dcmA-2ru4A:
14.94
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
5 PHE A1346
ALA A1338
GLY A1324
GLY A1343
ILE A1322
None
1.07A 4dcmA-2vdcA:
undetectable
4dcmA-2vdcA:
13.38
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens)
PF05148
(Methyltransf_8)
5 PHE A 284
ASP A 314
GLY A 316
GLY A 318
ASP A 334
SAH  A 900 (-3.7A)
SAH  A 900 ( 4.6A)
SAH  A 900 (-3.5A)
SAH  A 900 ( 3.7A)
SAH  A 900 (-2.7A)
0.68A 4dcmA-2zfuA:
12.1
4dcmA-2zfuA:
21.37
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE


(Thermus
thermophilus)
PF05175
(MTS)
6 PHE A 207
ASP A 239
GLY A 241
GLY A 243
ASN A 305
PRO A 307
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.2A)
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
0.53A 4dcmA-2zwvA:
33.6
4dcmA-2zwvA:
27.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688


(Pyrococcus
horikoshii)
PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C)
5 GLY A   7
GLY A   9
ILE A  15
ASP A  29
PRO A  70
NAD  A1001 ( 3.8A)
NAD  A1001 (-3.7A)
None
NAD  A1001 (-2.9A)
NAD  A1001 (-3.8A)
1.10A 4dcmA-3abiA:
5.4
4dcmA-3abiA:
21.59
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.
3ayf NITRIC OXIDE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00115
(COX1)
5 GLY A 411
GLY A 407
ILE A 350
GLU A 419
ASN A 418
None
1.05A 4dcmA-3ayfA:
undetectable
4dcmA-3ayfA:
17.89
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE


(Trichormus
variabilis)
PF08241
(Methyltransf_11)
5 ASP A  44
GLY A  46
GLY A  48
ASP A  67
ASN A 105
None
0.68A 4dcmA-3ccfA:
14.6
4dcmA-3ccfA:
23.60
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE


(Corynebacterium
glutamicum)
PF13649
(Methyltransf_25)
5 ASP A  51
GLY A  53
GLY A  55
ILE A  59
ASP A  74
None
NHE  A 195 (-3.2A)
None
None
NHE  A 195 (-3.6A)
0.47A 4dcmA-3cggA:
12.0
4dcmA-3cggA:
21.33
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE


(Thermus
thermophilus)
PF06325
(PrmA)
6 PHE A  99
ASP A 126
GLY A 128
GLY A 130
ASP A 149
ASN A 191
SAH  A 258 ( 4.3A)
SAH  A 258 ( 3.9A)
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-2.8A)
SAH  A 258 ( 3.8A)
0.40A 4dcmA-3cjtA:
17.7
4dcmA-3cjtA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE


(Pseudomonas
putida)
PF13489
(Methyltransf_23)
5 ASP A  57
GLY A  59
GLY A  61
ASP A  80
ASN A 122
SAH  A 300 ( 4.7A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-2.7A)
SAH  A 300 (-3.8A)
0.97A 4dcmA-3e8sA:
11.8
4dcmA-3e8sA:
23.58
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.
3eka HYALURONIDASE, PHAGE
ASSOCIATED


(Streptococcus
pyogenes)
PF07212
(Hyaluronidase_1)
5 PHE A  49
ALA A  40
GLY A  43
ILE A  55
ASP A  44
None
1.11A 4dcmA-3ekaA:
undetectable
4dcmA-3ekaA:
25.93
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE


(Lactobacillus
delbrueckii)
PF06325
(PrmA)
5 ASP A 182
GLY A 184
GLY A 186
ASP A 206
ASN A 248
None
GOL  A 322 ( 3.7A)
None
GOL  A 322 (-3.5A)
None
0.53A 4dcmA-3grzA:
18.3
4dcmA-3grzA:
23.94
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE


(Bartonella
henselae)
PF01113
(DapB_N)
PF05173
(DapB_C)
5 ALA A  44
GLY A  10
GLY A   7
ILE A  17
ASN A 157
None
NAP  A 300 (-3.3A)
NAP  A 300 (-3.3A)
None
None
1.05A 4dcmA-3ijpA:
5.2
4dcmA-3ijpA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jwi METHYLTRANSFERASE
TYPE 12


(Ruminiclostridium
thermocellum)
PF08242
(Methyltransf_12)
5 ASP A  35
GLY A  37
GLY A  39
ILE A 109
ASP A  60
None
0.82A 4dcmA-3jwiA:
11.7
4dcmA-3jwiA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE


(Listeria
monocytogenes)
PF01170
(UPF0020)
PF02926
(THUMP)
5 ASP A 196
GLY A 200
ILE A 204
ASP A 259
ASN A 303
None
0.91A 4dcmA-3k0bA:
14.5
4dcmA-3k0bA:
24.94
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472


(Streptococcus
mutans)
PF01170
(UPF0020)
PF02926
(THUMP)
5 ASP A 200
GLY A 204
ASP A 263
ASN A 307
PRO A 309
None
SAH  A 385 (-3.4A)
SAH  A 385 (-2.8A)
SAH  A 385 (-4.3A)
SAH  A 385 (-4.2A)
0.66A 4dcmA-3ldgA:
10.7
4dcmA-3ldgA:
21.58
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile)
PF01170
(UPF0020)
PF02926
(THUMP)
5 ASP A 198
GLY A 202
ILE A 206
ASP A 261
ASN A 305
None
GTP  A 383 (-2.6A)
None
GTP  A 383 (-3.0A)
GTP  A 383 (-4.2A)
0.76A 4dcmA-3lduA:
10.5
4dcmA-3lduA:
23.84
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile)
PF01170
(UPF0020)
PF02926
(THUMP)
5 GLY A 202
ILE A 206
ASP A 261
ASN A 305
PRO A 307
GTP  A 383 (-2.6A)
None
GTP  A 383 (-3.0A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
0.54A 4dcmA-3lduA:
10.5
4dcmA-3lduA:
23.84
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.
3lpm PUTATIVE
METHYLTRANSFERASE


(Listeria
monocytogenes)
PF05175
(MTS)
5 ALA A  37
ASP A  55
GLY A  59
ILE A  63
ASN A 126
None
0.62A 4dcmA-3lpmA:
20.6
4dcmA-3lpmA:
24.07
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.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN


(Salmonella
enterica)
PF00291
(PALP)
5 ALA B 108
GLY B 135
GLY B 111
ILE B 132
ASP B 138
None
None
7MN  B   2 (-3.7A)
None
None
1.09A 4dcmA-3pr2B:
2.5
4dcmA-3pr2B:
22.68
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE


(Encephalitozoon
cuniculi)
PF05175
(MTS)
6 ASP B  29
GLY B  31
ILE B  37
ASP B  51
ASN B  85
PRO B  87
SAM  B 300 ( 4.7A)
SAM  B 300 (-3.5A)
None
SAM  B 300 (-2.9A)
SAM  B 300 (-3.9A)
SAM  B 300 (-4.1A)
0.41A 4dcmA-3q87B:
12.3
4dcmA-3q87B:
21.93
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.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES


(Methanosarcina
mazei)
PF08241
(Methyltransf_11)
6 ASP A  36
GLY A  38
GLY A  40
ILE A  44
ASP A  59
ASN A  91
None
0.62A 4dcmA-3sm3A:
13.2
4dcmA-3sm3A:
24.30
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus)
PF01170
(UPF0020)
PF02926
(THUMP)
6 ASP A 190
GLY A 194
ILE A 198
ASP A 216
ASN A 260
PRO A 262
None
0.68A 4dcmA-3tmaA:
17.1
4dcmA-3tmaA:
24.20
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.
3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT


(Desulfovibrio
vulgaris)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
5 ALA A 117
GLY A 197
ILE A 156
ASP A 194
PRO A 271
None
1.16A 4dcmA-3ze6A:
undetectable
4dcmA-3ze6A:
20.98
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.
4bms ALCLOHOL
DEHYDROGENASE/SHORT-
CHAIN DEHYDROGENASE


(Ralstonia sp.
DSMZ 6428)
PF13561
(adh_short_C2)
5 ALA A  46
GLY A  13
GLY A  37
ILE A  35
ASN A 111
None
NAP  A1250 (-3.1A)
NAP  A1250 (-3.5A)
None
None
1.01A 4dcmA-4bmsA:
6.5
4dcmA-4bmsA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G


(Escherichia
coli)
PF05175
(MTS)
11 PHE A 208
ALA A 217
ASP A 234
GLY A 236
GLY A 238
ILE A 242
ASP A 259
GLU A 260
ASN A 289
ASN A 305
PRO A 307
SAM  A 401 (-3.6A)
SAM  A 401 (-3.2A)
SAM  A 401 ( 4.2A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-4.7A)
SAM  A 401 (-2.9A)
None
SAM  A 401 (-4.3A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
0.04A 4dcmA-4dcmA:
60.9
4dcmA-4dcmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G


(Escherichia
coli)
PF05175
(MTS)
6 PHE A 208
ALA A 217
GLY A 236
GLY A 238
ASN A 288
ASN A 305
SAM  A 401 (-3.6A)
SAM  A 401 (-3.2A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
None
SAM  A 401 (-3.8A)
1.28A 4dcmA-4dcmA:
60.9
4dcmA-4dcmA:
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC


(Alicyclobacillus
acidocaldarius)
PF05175
(MTS)
5 ASP A 134
GLY A 136
GLY A 138
ILE A 142
ASP A 159
None
1.11A 4dcmA-4dzrA:
10.9
4dcmA-4dzrA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ep5 CROSSOVER JUNCTION
ENDODEOXYRIBONUCLEAS
E RUVC


(Thermus
thermophilus)
PF02075
(RuvC)
5 ALA A 149
GLY A  14
GLY A  16
ILE A 150
PRO A 141
None
None
None
None
GOL  A 205 (-4.2A)
1.00A 4dcmA-4ep5A:
undetectable
4dcmA-4ep5A:
19.73
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E


(Linum
nodiflorum)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 ASP A 206
GLY A 208
GLY A 210
ASP A 231
ASN A 252
None
SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.3A)
0.46A 4dcmA-4eviA:
11.0
4dcmA-4eviA:
23.83
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL


(Mus musculus)
PF00398
(RrnaAD)
5 GLY A  63
GLY A  65
ILE A  69
ASN A 141
PRO A 143
ACT  A 402 (-3.4A)
None
None
None
ACT  A 402 ( 4.9A)
0.67A 4dcmA-4gc5A:
11.7
4dcmA-4gc5A:
24.76
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.
4hkt INOSITOL
2-DEHYDROGENASE


(Sinorhizobium
meliloti)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 ALA A  42
ASP A  34
GLY A   9
GLY A  11
GLU A  92
None
1.04A 4dcmA-4hktA:
6.6
4dcmA-4hktA:
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.
4jnq THIOREDOXIN
REDUCTASE


(Brucella
melitensis)
PF07992
(Pyr_redox_2)
5 GLY A 285
GLY A 114
ILE A 111
ASP A 286
PRO A  15
FDA  A 401 (-3.4A)
FDA  A 401 (-3.3A)
None
FDA  A 401 (-3.0A)
FDA  A 401 (-3.6A)
1.13A 4dcmA-4jnqA:
2.6
4dcmA-4jnqA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE


(Escherichia
coli)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A 312
GLY A 146
ILE A 143
ASP A 313
PRO A  16
FAD  A 512 (-3.4A)
FAD  A 512 (-3.4A)
None
FAD  A 512 (-3.0A)
FAD  A 512 (-3.9A)
1.14A 4dcmA-4jq9A:
3.7
4dcmA-4jq9A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
5 ASP A  57
GLY A  59
GLY A  61
ASP A  80
ASN A 122
None
SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.9A)
0.79A 4dcmA-4krgA:
13.7
4dcmA-4krgA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
PF01209
(Ubie_methyltran)
5 ASP A 117
GLY A 121
ILE A 125
ASP A 148
ASN A 179
None
None
None
SAM  A 602 (-2.9A)
SAM  A 602 (-3.7A)
0.78A 4dcmA-4obwA:
18.3
4dcmA-4obwA:
21.47
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
kefiri)
PF13561
(adh_short_C2)
5 ALA A  47
GLY A  14
GLY A  38
ILE A  36
ASN A 114
None
0.99A 4dcmA-4rf3A:
5.3
4dcmA-4rf3A:
22.88
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.
4ynn PROTEASE DO

(Legionella
pneumophila)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
5 ALA A 184
GLY A 188
GLY A 143
ILE A 185
ASN A 186
None
1.09A 4dcmA-4ynnA:
undetectable
4dcmA-4ynnA:
22.99
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.
4z8z UNCHARACTERIZED
PROTEIN


(Ruminiclostridium
thermocellum)
no annotation 5 PHE A 131
ALA A 155
GLY A 144
ILE A 148
GLU A 128
None
1.13A 4dcmA-4z8zA:
undetectable
4dcmA-4z8zA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgz ANTIZYME INHIBITOR 1

(Homo sapiens)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
5 ALA A  39
GLY A 355
GLY A 319
ASP A 362
ASN A 317
None
1.12A 4dcmA-4zgzA:
undetectable
4dcmA-4zgzA:
22.05
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.
4zn0 THIOREDOXIN
REDUCTASE


(Methanosarcina
mazei)
PF07992
(Pyr_redox_2)
5 GLY A 276
GLY A 111
ILE A 108
ASP A 277
PRO A  14
None
1.08A 4dcmA-4zn0A:
3.6
4dcmA-4zn0A:
23.53
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.
5afu DYNACTIN

(Sus scrofa)
PF00022
(Actin)
5 ALA J 354
GLY J 308
GLY J 142
ILE J 306
GLU J 208
None
ADP  J 800 ( 3.2A)
ADP  J 800 ( 3.1A)
None
ADP  J 800 ( 4.6A)
1.11A 4dcmA-5afuJ:
undetectable
4dcmA-5afuJ:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN


(Bacteroides
fragilis)
PF13489
(Methyltransf_23)
5 ASP A  86
GLY A  88
GLY A  90
ASP A 109
ASN A 130
None
SAH  A 303 (-3.3A)
SAH  A 303 ( 3.7A)
SAH  A 303 (-2.7A)
SAH  A 303 (-3.0A)
0.56A 4dcmA-5bp9A:
10.8
4dcmA-5bp9A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Acinetobacter
baumannii)
PF00275
(EPSP_synthase)
5 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
None
1.09A 4dcmA-5bs5A:
undetectable
4dcmA-5bs5A:
21.86
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.
5bwa ORNITHINE
DECARBOXYLASE


(Homo sapiens)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
5 ALA A  39
GLY A 357
GLY A 321
ASP A 364
ASN A 319
None
1.12A 4dcmA-5bwaA:
undetectable
4dcmA-5bwaA:
22.69
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML


(Bacillus
velezensis)
PF13847
(Methyltransf_31)
5 ASP A  66
GLY A  68
GLY A  70
ASP A  91
ASN A 113
SAH  A 301 ( 4.7A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
0.46A 4dcmA-5dlyA:
11.5
4dcmA-5dlyA:
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1


(Homo sapiens)
PF05891
(Methyltransf_PK)
5 ASP A  67
GLY A  69
GLY A  71
ILE A  75
ASP A  91
None
SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
None
SAH  A 301 (-2.7A)
0.43A 4dcmA-5e1bA:
13.1
4dcmA-5e1bA:
24.19
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.
5evj ARSENITE
METHYLTRANSFERASE


(Chlamydomonas
reinhardtii)
PF13847
(Methyltransf_31)
5 ASP A  89
GLY A  91
GLY A  93
ASP A 115
ASN A 169
None
0.78A 4dcmA-5evjA:
14.2
4dcmA-5evjA:
24.07
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.
5fad RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE


(Sulfolobus
islandicus)
PF13847
(Methyltransf_31)
5 ASP A  34
GLY A  36
GLY A  38
ILE A  42
ASN A  87
SAH  A 201 (-2.9A)
SAH  A 201 (-3.0A)
SAH  A 201 (-3.5A)
None
SAH  A 201 (-3.7A)
0.95A 4dcmA-5fadA:
11.8
4dcmA-5fadA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
5 ALA A 506
GLY A 573
ILE A 549
ASN A 581
ASN A 505
None
None
None
EDO  A1867 (-4.4A)
None
1.14A 4dcmA-5fjiA:
undetectable
4dcmA-5fjiA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihe DNA POLYMERASE II
SMALL SUBUNIT


(Pyrococcus
abyssi)
PF00149
(Metallophos)
5 GLY A 403
GLY A 559
ILE A 495
ASP A 360
ASN A 482
None
None
None
FE  A 702 ( 3.0A)
ACT  A 705 (-3.1A)
1.12A 4dcmA-5iheA:
undetectable
4dcmA-5iheA:
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT


(Pseudomonas
aeruginosa)
PF01039
(Carboxyl_trans)
5 PHE B 319
ALA B 356
GLY B 340
GLY B 330
ILE B 342
None
1.05A 4dcmA-5iklB:
undetectable
4dcmA-5iklB:
21.42
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.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9


(Arabidopsis
thaliana)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
5 ALA A 262
GLY A 266
GLY A 224
ILE A 263
ASN A 264
None
1.10A 4dcmA-5ilbA:
undetectable
4dcmA-5ilbA:
21.76
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE


(Paraburkholderia
xenovorans)
PF13561
(adh_short_C2)
6 ALA A  29
GLY A  16
GLY A  18
ILE A  30
ASP A  45
ASN A  26
None
1.47A 4dcmA-5jc8A:
7.9
4dcmA-5jc8A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT


(Desulfovibrio
vulgaris)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
5 ALA A 117
GLY A 197
ILE A 156
ASP A 194
PRO A 271
None
1.13A 4dcmA-5jsyA:
undetectable
4dcmA-5jsyA:
22.58
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN


(Streptococcus
pneumoniae)
PF00291
(PALP)
5 ALA B 112
GLY B 139
GLY B 115
ILE B 136
ASP B 142
None
1.12A 4dcmA-5kinB:
undetectable
4dcmA-5kinB:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5j THIOREDOXIN
REDUCTASE


(Giardia
intestinalis)
PF07992
(Pyr_redox_2)
5 GLY A 282
GLY A 115
ILE A 112
ASP A 283
PRO A  16
FAD  A1001 (-3.3A)
FAD  A1001 (-3.3A)
None
FAD  A1001 (-3.0A)
FAD  A1001 (-3.9A)
1.08A 4dcmA-5m5jA:
2.6
4dcmA-5m5jA:
21.87
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN


(Mycobacterium
tuberculosis)
PF00291
(PALP)
5 ALA B 122
GLY B 149
GLY B 125
ILE B 146
ASP B 152
None
None
MLI  B 501 (-3.5A)
None
None
1.11A 4dcmA-5tchB:
undetectable
4dcmA-5tchB:
24.12
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)


(Neisseria
gonorrhoeae)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 GLY A 434
GLY A 268
ILE A 265
ASP A 435
PRO A 127
FAD  A 601 (-3.2A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-2.9A)
FAD  A 601 (-3.9A)
1.15A 4dcmA-5u25A:
4.0
4dcmA-5u25A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE


(Micromonospora
echinospora)
no annotation 7 ALA A 112
ASP A 129
GLY A 131
GLY A 133
ASP A 152
ASN A 194
PRO A 196
SAH  A 414 ( 4.4A)
SAH  A 414 ( 3.7A)
SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 (-2.1A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
0.61A 4dcmA-5u4tA:
14.7
4dcmA-5u4tA:
25.55
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.
5u63 THIOREDOXIN
REDUCTASE


(Haemophilus
influenzae)
PF07992
(Pyr_redox_2)
5 GLY A 285
GLY A 114
ILE A 111
ASP A 286
PRO A  16
FAD  A 401 (-3.1A)
FAD  A 401 (-3.2A)
None
FAD  A 401 (-2.9A)
FAD  A 401 (-3.7A)
1.15A 4dcmA-5u63A:
2.7
4dcmA-5u63A:
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN


(Burkholderia
thailandensis)
no annotation 5 ASP A  72
GLY A  74
GLY A  76
ASP A  95
ASN A 135
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
0.78A 4dcmA-5ufmA:
14.3
4dcmA-5ufmA:
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.
5v72 NADPH-DEPENDENT
GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE


(Sinorhizobium
meliloti)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
5 ALA A 104
GLY A 149
GLY A 154
ILE A 198
PRO A 202
None
1.15A 4dcmA-5v72A:
7.1
4dcmA-5v72A:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
5 GLY A 444
GLY A 248
ILE A 245
ASP A 445
PRO A 164
FAD  A 503 (-3.4A)
FAD  A 503 (-3.1A)
None
FAD  A 503 (-2.0A)
FAD  A 503 (-3.3A)
1.15A 4dcmA-5vj7A:
3.3
4dcmA-5vj7A:
22.66
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE


(Homo sapiens)
no annotation 5 ASP A  23
GLY A  25
GLY A  27
ILE A 101
ASP A  48
SAM  A 800 ( 4.5A)
SAM  A 800 (-3.6A)
SAM  A 800 (-3.5A)
SAM  A 800 (-4.3A)
SAM  A 800 (-2.8A)
0.99A 4dcmA-5wy0A:
9.3
4dcmA-5wy0A:
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.
5x2v L-METHIONINE
GAMMA-LYASE


(Pseudomonas
putida)
PF01053
(Cys_Met_Meta_PP)
5 ALA A 221
ASP A 218
GLY A 217
GLY A 215
ILE A 219
None
None
None
LLP  A 211 ( 3.6A)
None
1.13A 4dcmA-5x2vA:
undetectable
4dcmA-5x2vA:
22.99
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE


(Legionella
pneumophila)
no annotation 5 PHE A 268
ALA A 218
GLY A 211
ASP A 208
GLU A 241
None
None
None
None
ZN  A 402 ( 4.2A)
1.07A 4dcmA-6eslA:
undetectable
4dcmA-6eslA:
undetectable