SIMILAR PATTERNS OF AMINO ACIDS FOR 4RVD_A_SAMA502_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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		5 ILE A 335
GLY A 332
ALA A 288
HIS A 233
ILE A 229
 None
 1.07A 4rvdA-1a87A:
undetectable		 4rvdA-1a87A:
20.89
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.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		5 TYR A 313
ILE A 307
ALA A 272
VAL A 298
ILE A 257
 None
COA  A3000 (-4.4A)
None
None
COA  A3000 (-4.0A)
 0.95A 4rvdA-1aj8A:
undetectable		 4rvdA-1aj8A:
21.90
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.
1be4 NUCLEOSIDE
DIPHOSPHATE
TRANSFERASE

(Bos taurus) 		PF00334
(NDK) 		6 ILE A 104
ALA A  97
PHE A 108
ARG A  88
HIS A 118
ILE A 116
 None
None
None
PCG  A 160 ( 4.8A)
PCG  A 160 ( 3.7A)
None
 1.50A 4rvdA-1be4A:
undetectable		 4rvdA-1be4A:
18.11
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.
1bsl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		5 ILE A  78
ALA A  54
PHE A 105
HIS A  82
VAL A  86
 None
 1.05A 4rvdA-1bslA:
undetectable		 4rvdA-1bslA:
21.17
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PRO A 247
ALA A 246
ARG A 209
HIS A 173
ILE A 172
 None
PQQ  A 701 ( 4.2A)
None
None
None
 1.11A 4rvdA-1flgA:
undetectable		 4rvdA-1flgA:
23.88
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 ILE A 184
GLY A 189
PRO A 106
PHE A 187
VAL A 111
 None
 1.12A 4rvdA-1gqrA:
2.7		 4rvdA-1gqrA:
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		5 ILE A 309
GLY A 310
ARG A 303
HIS A 269
VAL A 268
 None
 0.94A 4rvdA-1k9xA:
undetectable		 4rvdA-1k9xA:
21.77
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ILE A 563
ALA A 315
VAL A 504
HIS A 503
ILE A 501
 None
 0.91A 4rvdA-1kclA:
undetectable		 4rvdA-1kclA:
21.27
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ILE A 134
GLY A 133
ALA A  70
VAL A  55
ILE A  93
 None
 1.04A 4rvdA-1kczA:
undetectable		 4rvdA-1kczA:
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.
1kyq SIROHEME
BIOSYNTHESIS PROTEIN
MET8

(Saccharomyces
cerevisiae) 		PF13241
(NAD_binding_7)
PF14823
(Sirohm_synth_C)
PF14824
(Sirohm_synth_M) 		5 ILE A  19
GLY A  20
PRO A  44
PHE A  93
ARG A  28
 None
NAD  A 800 (-3.5A)
NAD  A 800 (-3.7A)
None
None
 1.01A 4rvdA-1kyqA:
3.9		 4rvdA-1kyqA:
21.05
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 TYR A 376
ILE A 327
GLY A 351
VAL A 223
ILE A 227
 None
 0.97A 4rvdA-1l1fA:
4.2		 4rvdA-1l1fA:
20.54
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 156
ALA A 150
PHE A 304
VAL A 185
HIS A 184
 None
 1.14A 4rvdA-1lluA:
6.6		 4rvdA-1lluA:
26.04
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 TYR A 161
ILE A 153
GLY A 154
ALA A 160
VAL A 498
 None
 1.05A 4rvdA-1oa1A:
undetectable		 4rvdA-1oa1A:
21.50
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 162
GLY A 413
ALA A 418
VAL A 166
ILE A 120
 None
 0.89A 4rvdA-1qgdA:
3.2		 4rvdA-1qgdA:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 248
GLY A 249
PRO A  30
ALA A  15
VAL A 260
 TPP  A1671 (-4.4A)
None
None
None
None
 1.12A 4rvdA-1r9jA:
2.8		 4rvdA-1r9jA:
21.45
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.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		5 ILE A  49
ALA A  84
HIS A  68
VAL A  36
ILE A  11
 None
 1.11A 4rvdA-1tqjA:
undetectable		 4rvdA-1tqjA:
19.82
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.
1uf3 HYPOTHETICAL PROTEIN
TT1561

(Thermus
thermophilus) 		PF14582
(Metallophos_3) 		5 TYR A 131
GLY A 112
ALA A 136
VAL A  69
ILE A  39
 None
 0.98A 4rvdA-1uf3A:
undetectable		 4rvdA-1uf3A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 ILE A 258
GLY A 257
ALA A 218
HIS A 241
VAL A 240
 None
 1.01A 4rvdA-1ufvA:
undetectable		 4rvdA-1ufvA:
23.72
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		5 TYR A 150
ILE A 113
GLY A 114
VAL A 117
ILE A 137
 None
 1.06A 4rvdA-1xatA:
undetectable		 4rvdA-1xatA:
20.66
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.
1xjv PROTECTION OF
TELOMERES 1

(Homo sapiens) 		PF02765
(POT1)
PF16686
(POT1PC) 		5 ILE A  49
GLY A  27
ALA A 140
VAL A  79
ILE A  72
 None
 1.14A 4rvdA-1xjvA:
undetectable		 4rvdA-1xjvA:
21.52
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ILE A 237
GLY A 236
ALA A 310
HIS A 242
VAL A 240
 None
 1.11A 4rvdA-1yfmA:
undetectable		 4rvdA-1yfmA:
22.55
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.
1z5f RC-RNASE 3

(Rana
catesbeiana) 		PF00074
(RnaseA) 		5 ILE A  86
GLY A 100
HIS A  97
HIS A  10
ILE A  37
 None
None
PCA  A   1 ( 4.9A)
None
None
 1.11A 4rvdA-1z5fA:
undetectable		 4rvdA-1z5fA:
13.40
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.
2e9w MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF00047
(ig) 		5 ILE A 170
GLY A 169
PHE A 162
VAL A 134
ILE A 172
 None
 1.14A 4rvdA-2e9wA:
undetectable		 4rvdA-2e9wA:
21.26
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.
2ic7 MALTOSE
TRANSACETYLASE

(Geobacillus
kaustophilus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		5 ILE A 133
GLY A 134
ALA A 169
HIS A 100
ILE A 139
 None
 1.11A 4rvdA-2ic7A:
undetectable		 4rvdA-2ic7A:
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		5 GLY A  20
PRO A  47
PHE A 246
VAL A  40
ILE A 250
 FAD  A1489 ( 4.6A)
None
None
None
None
 1.11A 4rvdA-2jb1A:
2.7		 4rvdA-2jb1A:
20.90
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 TYR A 187
ILE A 270
ALA A 188
HIS A 161
ILE A 245
 None
 1.11A 4rvdA-2jf7A:
undetectable		 4rvdA-2jf7A:
22.22
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 ILE A 290
GLY A 178
PRO A 175
VAL A 208
ILE A 226
 None
 0.98A 4rvdA-2o0mA:
2.6		 4rvdA-2o0mA:
22.40
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.
2p7h HYPOTHETICAL PROTEIN

(Pectobacterium
atrosepticum) 		PF13489
(Methyltransf_23) 		5 GLY A  49
HIS A 110
VAL A 111
HIS A 114
ILE A 115
 TRS  A 251 (-4.8A)
None
None
None
None
 0.59A 4rvdA-2p7hA:
14.9		 4rvdA-2p7hA:
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.
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii) 		no annotation 5 TYR A 102
ILE A  20
GLY A  19
HIS A 228
ILE A 272
 TYR  A 102 ( 1.3A)
ILE  A  20 ( 0.7A)
GLY  A  19 (-0.0A)
HIS  A 228 ( 1.0A)
ILE  A 272 ( 0.7A)
 1.11A 4rvdA-2qc5A:
undetectable		 4rvdA-2qc5A:
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 681
ALA A 728
HIS A 747
VAL A 717
ILE A 744
 None
None
ZN  A1157 (-3.3A)
KCX  A 718 ( 3.1A)
None
 1.11A 4rvdA-2qf7A:
3.4		 4rvdA-2qf7A:
18.04
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.
2rfq 3-HSA HYDROXYLASE,
OXYGENASE

(Rhodococcus
jostii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 134
ALA A 137
PHE A 166
VAL A 194
ILE A 168
 None
 1.08A 4rvdA-2rfqA:
undetectable		 4rvdA-2rfqA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 ILE D 449
GLY D 405
PHE D 467
VAL D 424
ILE D 436
 None
 0.89A 4rvdA-2vnuD:
undetectable		 4rvdA-2vnuD:
21.27
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 ILE J 449
GLY J 405
PHE J 467
VAL J 424
ILE J 436
 None
 0.91A 4rvdA-2wp8J:
undetectable		 4rvdA-2wp8J:
18.78
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.
2y0m PROBABLE HISTONE
ACETYLTRANSFERASE
MYST1

(Homo sapiens) 		PF01853
(MOZ_SAS) 		5 TYR A 212
ILE A 184
GLY A 185
HIS A 297
ILE A 298
 None
 1.13A 4rvdA-2y0mA:
undetectable		 4rvdA-2y0mA:
19.82
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 318
GLY A 317
ALA A 136
HIS A 323
VAL A 321
 None
None
FAD  A1601 (-4.7A)
None
None
 1.09A 4rvdA-2yquA:
2.4		 4rvdA-2yquA:
23.78
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 231
GLY A 157
HIS A 214
VAL A 215
ILE A 273
 None
 1.07A 4rvdA-2z1uA:
undetectable		 4rvdA-2z1uA:
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.
2z2n VIRGINIAMYCIN B
LYASE

(Staphylococcus
aureus) 		no annotation 5 TYR A 102
ILE A  20
GLY A  19
HIS A 228
ILE A 272
 None
 1.09A 4rvdA-2z2nA:
undetectable		 4rvdA-2z2nA:
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 ILE A 279
GLY A 280
ALA A 413
VAL A 421
ILE A 480
 None
 0.83A 4rvdA-3a1iA:
undetectable		 4rvdA-3a1iA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 TYR A 146
ILE A 222
ALA A 147
HIS A 119
ILE A 196
 None
 1.12A 4rvdA-3ahyA:
undetectable		 4rvdA-3ahyA:
22.82
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		5 TYR A 207
ILE A 120
ALA A 203
PHE A 213
ARG A 469
 None
 0.89A 4rvdA-3ayxA:
undetectable		 4rvdA-3ayxA:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ILE A 171
GLY A 172
PRO A 169
VAL A 175
ILE A 254
 None
 1.02A 4rvdA-3ccfA:
16.1		 4rvdA-3ccfA:
23.36
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ILE A 189
GLY A 190
HIS A 256
VAL A 257
ILE A 269
 None
SAH  A 350 (-4.1A)
MQA  A 351 (-3.7A)
SAH  A 350 ( 4.5A)
None
 0.92A 4rvdA-3gxoA:
15.6		 4rvdA-3gxoA:
24.43
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.
3h2b SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 TYR A  66
GLY A 106
PRO A 128
ALA A 129
ILE A 150
 SAH  A 301 (-3.5A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.1A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.1A)
 1.01A 4rvdA-3h2bA:
16.0		 4rvdA-3h2bA:
21.52
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.
3k2c PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Encephalitozoon
cuniculi) 		PF00160
(Pro_isomerase) 		5 TYR A 148
ILE A 163
ARG A 164
VAL A  13
ILE A  23
 None
 1.05A 4rvdA-3k2cA:
undetectable		 4rvdA-3k2cA:
16.55
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 ILE A 138
GLY A 135
PHE A 142
HIS A 125
VAL A 124
ILE A 144
 None
 1.20A 4rvdA-3l01A:
undetectable		 4rvdA-3l01A:
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 ILE A  13
HIS A  85
VAL A  84
HIS A  92
ILE A  91
 None
 1.11A 4rvdA-3njxA:
undetectable		 4rvdA-3njxA:
20.83
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 TYR A 134
ILE A 101
VAL A  91
HIS A  90
ILE A  89
 IFP  A 542 (-4.9A)
None
None
IFP  A 542 (-3.4A)
None
 1.07A 4rvdA-3nm1A:
2.9		 4rvdA-3nm1A:
22.18
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.
3sz4 EXONUCLEASE

(Laribacter
hongkongensis) 		PF09588
(YqaJ) 		5 ILE A 111
GLY A 103
ARG A 147
VAL A  83
ILE A  76
 None
 1.11A 4rvdA-3sz4A:
undetectable		 4rvdA-3sz4A:
19.95
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.
3tca AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER
1-INTERACTING
PROTEIN

(Mus musculus) 		PF00169
(PH)
PF00788
(RA) 		5 ILE A 233
GLY A 370
ALA A 379
VAL A 386
ILE A 399
 None
 0.94A 4rvdA-3tcaA:
undetectable		 4rvdA-3tcaA:
22.74
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.
3tni CYCLIN-T1

(Homo sapiens) 		PF00134
(Cyclin_N) 		5 ILE B 150
PRO B 153
ALA B 178
VAL B  64
HIS B  67
 None
 1.13A 4rvdA-3tniB:
undetectable		 4rvdA-3tniB:
21.43
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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 ILE A 140
PHE A 238
HIS A 229
VAL A 230
ILE A 235
 None
None
GLC  A 503 ( 4.0A)
None
None
 1.04A 4rvdA-3vm7A:
undetectable		 4rvdA-3vm7A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		5 TYR A  60
TYR A  63
ILE A 154
ALA A  64
ILE A  78
 None
 1.11A 4rvdA-3vocA:
undetectable		 4rvdA-3vocA:
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ILE A 283
GLY A 305
PRO A 251
ALA A 298
ILE A 381
 None
APC  A 804 (-4.0A)
APC  A 804 (-4.0A)
APC  A 804 ( 4.5A)
None
 1.08A 4rvdA-3vthA:
undetectable		 4rvdA-3vthA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ILE A 328
GLY A 329
ALA A 368
PHE A 379
VAL A 388
 None
 1.13A 4rvdA-3wfaA:
undetectable		 4rvdA-3wfaA:
21.96
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.
4a7w URIDYLATE KINASE

(Helicobacter
pylori) 		PF00696
(AA_kinase) 		5 GLY A  21
HIS A  30
VAL A  31
HIS A  34
ILE A  35
 None
 0.83A 4rvdA-4a7wA:
2.9		 4rvdA-4a7wA:
20.37
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A  26
GLY A  23
PRO A  50
ALA A  49
VAL A  15
 None
 0.98A 4rvdA-4avyA:
5.8		 4rvdA-4avyA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 TYR A  48
GLY A  51
HIS A 176
VAL A 174
ILE A 142
 None
 1.01A 4rvdA-4c4aA:
6.1		 4rvdA-4c4aA:
20.45
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.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		5 ILE A 165
PRO A 106
HIS A 172
VAL A 173
ILE A 175
 None
 1.02A 4rvdA-4c5nA:
undetectable		 4rvdA-4c5nA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 TYR A  76
ILE A 112
GLY A 113
PRO A 135
PHE A 155
ILE A 182
 SAH  A 503 ( 4.4A)
SAH  A 503 (-4.5A)
SAH  A 503 (-3.4A)
SAH  A 503 (-3.8A)
None
SAH  A 503 (-4.4A)
 0.33A 4rvdA-4e2zA:
21.3		 4rvdA-4e2zA:
39.68
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A 158
HIS A 143
VAL A 144
HIS A 145
ILE A 146
 None
 0.65A 4rvdA-4e6uA:
undetectable		 4rvdA-4e6uA:
24.35
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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 ILE A 193
GLY A 194
ARG A 214
HIS A 236
ILE A 220
 None
None
SO4  A 600 (-2.7A)
None
None
 0.93A 4rvdA-4fhoA:
undetectable		 4rvdA-4fhoA:
18.72
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 ILE A  44
GLY A   4
ALA A 182
PHE A  66
HIS A  41
 ILE  A  44 ( 0.5A)
GLY  A   4 ( 0.0A)
ALA  A 182 ( 0.0A)
PHE  A  66 ( 1.3A)
HIS  A  41 ( 1.0A)
 0.95A 4rvdA-4g41A:
undetectable		 4rvdA-4g41A:
22.11
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.
4j30 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF14113
(Tae4) 		5 ILE A  46
ALA A  71
HIS A  18
VAL A  23
ILE A  35
 None
None
ETX  A 204 ( 3.8A)
None
None
 1.11A 4rvdA-4j30A:
undetectable		 4rvdA-4j30A:
19.22
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 ILE A  59
GLY A  16
ALA A 315
ARG A  57
HIS A  31
 None
 1.01A 4rvdA-4j8bA:
undetectable		 4rvdA-4j8bA:
21.12
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.
4kvg AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER
1-INTERACTING
PROTEIN

(Mus musculus) 		PF00169
(PH)
PF00788
(RA) 		5 ILE B 233
GLY B 370
ALA B 379
VAL B 386
ILE B 399
 None
 0.87A 4rvdA-4kvgB:
undetectable		 4rvdA-4kvgB:
20.64
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.
4ldp NDP-FOROSAMYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		5 PRO A   9
ALA A  10
ARG A 149
VAL A 133
HIS A 105
 None
 1.11A 4rvdA-4ldpA:
4.5		 4rvdA-4ldpA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 460
ALA A 418
VAL A 466
HIS A 467
ILE A 468
 None
 1.13A 4rvdA-4lg9A:
undetectable		 4rvdA-4lg9A:
21.17
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.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ILE A  45
GLY A  40
ALA A  37
VAL A  16
ILE A  18
 None
 1.02A 4rvdA-4lmpA:
6.3		 4rvdA-4lmpA:
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 TYR A 147
ILE A 232
ALA A 148
HIS A 120
ILE A 207
 None
 1.14A 4rvdA-4mdpA:
undetectable		 4rvdA-4mdpA:
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.
4myo VIRGINIAMYCIN A
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00132
(Hexapep) 		5 TYR A 158
ILE A 121
GLY A 122
VAL A 125
ILE A 145
 None
 1.08A 4rvdA-4myoA:
undetectable		 4rvdA-4myoA:
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 ILE A 173
GLY A 172
ALA A 212
VAL A 165
ILE A 186
 None
 0.99A 4rvdA-4phbA:
undetectable		 4rvdA-4phbA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 ILE A 922
GLY A 933
ALA A 880
VAL A 920
ILE A 633
 None
 1.03A 4rvdA-4ra7A:
undetectable		 4rvdA-4ra7A:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rld ASPARTIC PROTEASE
BLA G 2

(Blattella
germanica) 		PF00026
(Asp) 		5 GLY A 302
ALA A 212
HIS A 308
VAL A 306
ILE A 153
 None
None
NAG  A 501 (-4.3A)
None
None
 0.95A 4rvdA-4rldA:
undetectable		 4rvdA-4rldA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 ILE A 113
GLY A 114
ALA A 141
PHE A 156
ARG A 177
 SAH  A 502 (-4.7A)
SAH  A 502 (-3.5A)
None
None
SAH  A 502 (-3.4A)
 1.07A 4rvdA-4rvhA:
67.3		 4rvdA-4rvhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		12 TYR A  74
TYR A  77
ILE A 113
GLY A 114
PRO A 136
ALA A 137
PHE A 156
ARG A 177
HIS A 178
VAL A 179
HIS A 182
ILE A 183
 SAH  A 502 (-3.6A)
SAH  A 502 (-4.3A)
SAH  A 502 (-4.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-4.0A)
SAH  A 502 ( 3.8A)
None
SAH  A 502 (-3.4A)
3YN  A 503 (-4.3A)
SAH  A 502 (-4.2A)
3YN  A 503 (-3.9A)
SAH  A 502 (-4.2A)
 0.10A 4rvdA-4rvhA:
67.3		 4rvdA-4rvhA:
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A   9
GLY A  17
ALA A 241
HIS A  22
ILE A  24
 None
 1.09A 4rvdA-4uulA:
4.5		 4rvdA-4uulA:
22.22
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.
4w6q GLUCOSYLTRANSFERASE

(Streptococcus
agalactiae) 		no annotation 5 TYR A 296
ILE A 269
GLY A 275
VAL A 257
ILE A 251
 None
 1.02A 4rvdA-4w6qA:
2.3		 4rvdA-4w6qA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 ILE A 182
GLY A 187
PRO A 104
PHE A 185
VAL A 109
 None
None
EDO  A1022 (-4.6A)
None
None
 1.10A 4rvdA-4xiiA:
2.7		 4rvdA-4xiiA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsh ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		5 TYR B 194
ILE B 212
ALA B 216
ARG B 155
ILE B 126
 EDO  B 302 (-4.1A)
None
None
NAI  B 301 (-3.1A)
None
 1.07A 4rvdA-4xshB:
undetectable		 4rvdA-4xshB:
17.92
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.
4xyb FORMATE
DEHYDROGENASE

(Granulicella
mallensis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 TYR A 345
ALA A 343
PHE A 145
HIS A 154
ILE A 123
 None
None
None
None
NDP  A 401 ( 3.6A)
 1.11A 4rvdA-4xybA:
6.5		 4rvdA-4xybA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		5 TYR A 445
ILE A 414
GLY A 415
PHE A 411
HIS A 366
 None
 1.12A 4rvdA-5bq9A:
undetectable		 4rvdA-5bq9A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ILE A  26
GLY A 332
PHE A  30
ARG A 334
VAL A 352
 None
GOL  A 501 ( 4.9A)
None
None
None
 1.04A 4rvdA-5bwiA:
undetectable		 4rvdA-5bwiA:
22.54
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLY A 489
ALA A 263
VAL A 503
HIS A 518
ILE A 517
 None
 1.10A 4rvdA-5fqlA:
undetectable		 4rvdA-5fqlA:
22.28
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.
5gus HELIX-TURN-HELIX
DOMAIN-CONTAINING
PROTEIN

(Zymomonas
mobilis) 		PF04266
(ASCH) 		5 ILE A  46
GLY A  57
PRO A 110
HIS A 105
VAL A  23
 None
 1.07A 4rvdA-5gusA:
undetectable		 4rvdA-5gusA:
17.06
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.
5j3u PROTEIN KINASE A

(Toxoplasma
gondii) 		PF00027
(cNMP_binding) 		5 ILE A 326
GLY A 353
VAL A 285
HIS A 286
ILE A 287
 None
 0.87A 4rvdA-5j3uA:
undetectable		 4rvdA-5j3uA:
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.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A 142
ALA A 177
HIS A 145
VAL A 146
ILE A 148
 None
 1.00A 4rvdA-5jxxA:
undetectable		 4rvdA-5jxxA:
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.
5k8s CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 351
GLY A 372
HIS A 309
VAL A 310
ILE A 312
 None
 1.08A 4rvdA-5k8sA:
undetectable		 4rvdA-5k8sA:
16.01
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.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 351
GLY A 372
HIS A 309
VAL A 310
ILE A 312
 None
 1.04A 4rvdA-5kbfA:
undetectable		 4rvdA-5kbfA:
20.43
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.
5kkp PSEUDOURIDYLATE
SYNTHASE 7

(Homo sapiens) 		PF01142
(TruD) 		5 ILE A 308
ALA A 272
HIS A 259
VAL A 305
ILE A 286
 None
 0.97A 4rvdA-5kkpA:
undetectable		 4rvdA-5kkpA:
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.
5l2d SURFACE-ASSOCIATED
PROTEIN CSHA

(Streptococcus
gordonii) 		no annotation 5 ILE A 154
GLY A 226
PRO A 213
VAL A 224
ILE A  50
 None
 1.13A 4rvdA-5l2dA:
undetectable		 4rvdA-5l2dA:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 GLY A 322
ALA A 325
ARG A 319
VAL A 343
ILE A 338
 None
 0.93A 4rvdA-5t67A:
53.7		 4rvdA-5t67A:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		7 TYR A  76
ILE A 112
GLY A 113
PRO A 135
PHE A 155
HIS A 181
ILE A 182
 SAH  A 502 (-4.4A)
SAH  A 502 (-4.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.9A)
None
JHZ  A 503 (-3.9A)
SAH  A 502 (-4.4A)
 0.35A 4rvdA-5t67A:
53.7		 4rvdA-5t67A:
39.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t95 PREPHENATE
DEHYDROGENASE 1

(Glycine max) 		PF02153
(PDH) 		5 ILE A  14
GLY A  13
ALA A  64
HIS A  33
ILE A  52
 None
 0.92A 4rvdA-5t95A:
4.6		 4rvdA-5t95A:
18.95
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ILE A  35
ALA A 219
ARG A  43
VAL A  47
ILE A  51
 None
 1.10A 4rvdA-5u2wA:
5.7		 4rvdA-5u2wA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 5 ILE A 409
GLY A 425
ALA A 358
VAL A 406
HIS A 405
 None
 1.13A 4rvdA-5uyrA:
undetectable		 4rvdA-5uyrA:
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.
5v8f DNA REPLICATION
LICENSING FACTOR
MCM7

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE 7 121
ALA 7  65
ARG 7 199
VAL 7  78
ILE 7  80
 None
 1.10A 4rvdA-5v8f7:
undetectable		 4rvdA-5v8f7:
19.90
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.
5x8t 50S RIBOSOMAL
PROTEIN L23,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00276
(Ribosomal_L23) 		5 ILE U 176
PHE U 136
ARG U 160
VAL U 162
ILE U 147
 None
None
C  A1420 ( 3.1A)
None
None
 1.13A 4rvdA-5x8tU:
undetectable		 4rvdA-5x8tU:
14.76
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 158
GLY B 159
PHE B 414
VAL B 115
ILE B  46
 None
 1.05A 4rvdA-5xogB:
undetectable		 4rvdA-5xogB:
15.77
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 ILE A 344
GLY A 349
PRO A 267
PHE A 347
VAL A 272
 None
 1.11A 4rvdA-5ydjA:
2.2		 4rvdA-5ydjA:
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.
6ao7 ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		PF00583
(Acetyltransf_1) 		5 TYR A  53
ILE A  50
GLY A  51
PHE A  74
ILE A   5
 None
 1.09A 4rvdA-6ao7A:
undetectable		 4rvdA-6ao7A:
13.88