SIMILAR PATTERNS OF AMINO ACIDS FOR 4RYA_A_MTLA501_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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 GLY A  51
ALA A  52
PHE A  89
ALA A  44
VAL A  41
 None
 1.47A 4ryaA-1ajzA:
0.0		 4ryaA-1ajzA:
20.60
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.
1apy ASPARTYLGLUCOSAMINID
ASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 GLY B 185
ALA B 232
PHE B 305
ALA B 292
VAL B 320
 None
 1.11A 4ryaA-1apyB:
undetectable		 4ryaA-1apyB:
15.53
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.
1cyn PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
B

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 ARG A  77
ARG A  90
GLY A  83
ALA A 111
GLN A 119
 None
 1.25A 4ryaA-1cynA:
0.0		 4ryaA-1cynA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 315
ALA A 316
PHE A 265
ALA A 182
VAL A 188
 None
 1.32A 4ryaA-1ee2A:
0.0		 4ryaA-1ee2A:
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.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ASN A 135
GLY A 111
ALA A 115
ALA A 142
VAL A 145
 None
 1.16A 4ryaA-1f0kA:
0.0		 4ryaA-1f0kA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1goj KINESIN HEAVY CHAIN

(Neurospora
crassa) 		PF00225
(Kinesin) 		5 GLY A  88
ALA A  92
PHE A  14
VAL A  40
GLN A  89
 None
ADP  A 400 (-4.3A)
None
None
None
 1.47A 4ryaA-1gojA:
0.0		 4ryaA-1gojA:
22.00
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.
1l0w ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLY A 391
PHE A 388
ALA A 350
VAL A 363
GLN A 347
 None
 0.97A 4ryaA-1l0wA:
0.0		 4ryaA-1l0wA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgw BEAN POD MOTTLE
VIRUS SMALL (S)
SUBUNIT
BEAN POD MOTTLE
VIRUS LARGE (L)
SUBUNIT

(Bean pod mottle
virus;
Bean pod mottle
virus) 		PF02248
(Como_SCP)
PF02247
(Como_LCP) 		5 ASN 1  58
GLY 2 222
ALA 2 223
PHE 1 181
VAL 1  62
 None
 1.43A 4ryaA-1pgw1:
undetectable		 4ryaA-1pgw1:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 316
ALA A 317
PHE A 266
ALA A 183
VAL A 189
 None
 1.34A 4ryaA-1u3tA:
undetectable		 4ryaA-1u3tA:
20.09
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.
1ueb ELONGATION FACTOR P

(Thermus
thermophilus) 		PF01132
(EFP)
PF08207
(EFP_N)
PF09285
(Elong-fact-P_C) 		5 GLY A 156
ALA A 157
PHE A 104
ALA A 101
VAL A  98
 None
 1.50A 4ryaA-1uebA:
undetectable		 4ryaA-1uebA:
18.33
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 ASN A 412
GLY A 512
PHE A 477
ALA A 485
VAL A 456
 None
 1.35A 4ryaA-1uf2A:
undetectable		 4ryaA-1uf2A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  17
ALA A  20
PHE A 313
ALA A 342
VAL A 354
 None
 1.02A 4ryaA-1v59A:
undetectable		 4ryaA-1v59A:
23.17
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ASN A 372
GLY A 160
PHE A 374
ALA A 332
VAL A 383
 None
GDP  A1002 ( 4.7A)
None
None
None
 1.47A 4ryaA-1xjeA:
undetectable		 4ryaA-1xjeA:
22.93
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 ARG A 198
GLY A 197
ALA A 211
ALA A 169
VAL A 168
 None
 1.29A 4ryaA-1yniA:
undetectable		 4ryaA-1yniA:
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A 409
PHE A 403
ALA A 392
VAL A 379
TRP A 381
 None
 1.40A 4ryaA-1yzyA:
undetectable		 4ryaA-1yzyA:
22.87
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASN A  77
ARG A 443
GLY A  71
ALA A 108
PHE A 168
 None
 1.48A 4ryaA-2c4mA:
undetectable		 4ryaA-2c4mA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 243
ALA A 245
ALA A 169
VAL A 165
GLN A 244
 None
 1.27A 4ryaA-2d3tA:
undetectable		 4ryaA-2d3tA:
22.92
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 246
ALA A 245
ALA A 169
VAL A 165
GLN A 244
 None
 1.27A 4ryaA-2d3tA:
undetectable		 4ryaA-2d3tA:
22.92
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 GLY A 401
ALA A 381
ALA A 386
VAL A 387
TRP A 336
 None
 1.15A 4ryaA-2eidA:
undetectable		 4ryaA-2eidA:
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.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  49
ALA A  53
PHE A 222
ALA A 266
VAL A 228
 None
 1.12A 4ryaA-2gcaA:
undetectable		 4ryaA-2gcaA:
23.01
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 GLY A 206
ALA A 202
PHE A 315
ALA A 197
VAL A 220
 None
 1.39A 4ryaA-2hi4A:
undetectable		 4ryaA-2hi4A:
22.01
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.
2opi L-FUCULOSE-1-PHOSPHA
TE ALDOLASE

(Bacteroides
thetaiotaomicron) 		PF00596
(Aldolase_II) 		5 GLY A  18
ALA A  20
PHE A  94
ALA A 174
VAL A 162
 None
 1.30A 4ryaA-2opiA:
undetectable		 4ryaA-2opiA:
18.97
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 GLY A 353
ALA A 305
PHE A 167
VAL A 469
GLN A 350
 None
 1.26A 4ryaA-2tohA:
undetectable		 4ryaA-2tohA:
23.34
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A 335
ALA A 334
ALA A 288
VAL A 158
GLN A 337
 None
 1.37A 4ryaA-2x3nA:
1.7		 4ryaA-2x3nA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ARG A 867
ALA A 879
ALA A 913
VAL A 914
GLN A 910
 None
 1.42A 4ryaA-2xt6A:
undetectable		 4ryaA-2xt6A:
17.34
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 GLY A 305
ALA A 125
ALA A 119
VAL A  31
GLN A 126
 None
 1.44A 4ryaA-3djlA:
undetectable		 4ryaA-3djlA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		5 GLY A  45
ALA A  90
PHE A  42
ALA A  97
VAL A 119
 None
 1.43A 4ryaA-3gwbA:
undetectable		 4ryaA-3gwbA:
23.42
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		5 GLY A 327
ALA A 332
PHE A 244
ALA A 290
VAL A 278
 None
 1.48A 4ryaA-3ideA:
undetectable		 4ryaA-3ideA:
21.53
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.
3mv3 COATOMER SUBUNIT
ALPHA
COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF06957
(COPI_C)
PF04733
(Coatomer_E) 		5 ASN B 136
ARG A 951
GLY A 918
ALA A 917
TRP A 904
 None
 1.44A 4ryaA-3mv3B:
undetectable		 4ryaA-3mv3B:
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 GLY A  81
ALA A  80
VAL A  49
TRP A  76
GLN A  79
 None
 1.47A 4ryaA-3oetA:
undetectable		 4ryaA-3oetA:
22.39
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ARG A 168
ALA A 203
PHE A 261
ALA A 179
VAL A 188
 None
 1.45A 4ryaA-3rb9A:
undetectable		 4ryaA-3rb9A:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 GLY N 412
ALA N 413
ALA N 274
VAL N 271
TRP N 409
 LFA  N 489 ( 3.7A)
None
None
None
None
 1.40A 4ryaA-3rkoN:
undetectable		 4ryaA-3rkoN:
21.04
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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 236
ARG A 187
GLY A 186
ALA A 380
VAL A 379
 None
 1.45A 4ryaA-3rr1A:
undetectable		 4ryaA-3rr1A:
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ASN A 131
GLY A 107
ALA A 111
ALA A 138
VAL A 141
 None
 1.10A 4ryaA-3s2uA:
undetectable		 4ryaA-3s2uA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		5 GLY A 344
ALA A 345
ALA A 356
VAL A 400
GLN A 342
 None
 1.48A 4ryaA-3tc9A:
undetectable		 4ryaA-3tc9A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		5 ALA A  82
PHE A 141
ALA A 124
VAL A  32
GLN A  81
 None
None
None
None
PVG  A 201 (-3.4A)
 1.39A 4ryaA-3vv4A:
undetectable		 4ryaA-3vv4A:
19.91
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ARG A 867
ALA A 879
ALA A 913
VAL A 914
GLN A 910
 None
 1.43A 4ryaA-3zhrA:
undetectable		 4ryaA-3zhrA:
19.58
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 ARG A 151
GLY A 149
ALA A 150
ALA A 370
VAL A 373
 None
 1.35A 4ryaA-4fwtA:
undetectable		 4ryaA-4fwtA:
15.78
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 GLY A  57
ALA A  59
PHE A  45
ALA A  64
VAL A 323
 None
 1.47A 4ryaA-4gnrA:
2.9		 4ryaA-4gnrA:
24.49
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 ARG A 188
GLY A 184
ALA A 183
VAL A 134
GLN A 182
 None
 1.42A 4ryaA-4hh1A:
undetectable		 4ryaA-4hh1A:
22.36
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.
4jgi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 GLY A  67
ALA A 115
PHE A  42
VAL A  23
GLN A  71
 None
 1.31A 4ryaA-4jgiA:
undetectable		 4ryaA-4jgiA:
20.76
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A 412
ALA A 413
ALA A 427
VAL A 428
GLN A 418
 SO4  A1007 (-3.8A)
None
None
None
None
 1.31A 4ryaA-4k6mA:
undetectable		 4ryaA-4k6mA:
18.53
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.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		5 GLY A  61
ALA A  60
ALA A 126
VAL A 113
TRP A  56
 None
 1.33A 4ryaA-4lduA:
undetectable		 4ryaA-4lduA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0x CHLOROMUCONATE
CYCLOISOMERASE

(Rhodococcus
opacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 297
ALA A 298
PHE A 268
ALA A 246
VAL A 265
 None
 1.26A 4ryaA-4m0xA:
undetectable		 4ryaA-4m0xA:
24.73
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 GLY A 148
ALA A 134
PHE A 145
ALA A  49
VAL A  89
 None
 1.23A 4ryaA-4n0iA:
1.5		 4ryaA-4n0iA:
21.60
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		5 ASN A 346
GLY A 290
ALA A 319
VAL A 317
GLN A 292
 None
UDP  A 401 (-3.6A)
None
None
None
 1.22A 4ryaA-4nesA:
1.2		 4ryaA-4nesA:
20.61
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.
4nte DEPH

(Chromobacterium
violaceum) 		PF07992
(Pyr_redox_2) 		5 GLY A 283
ALA A  20
PHE A 264
ALA A 290
GLN A  23
 None
 1.31A 4ryaA-4nteA:
undetectable		 4ryaA-4nteA:
22.00
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASN A  19
GLY A 116
ALA A 117
PHE A  50
VAL A  47
 None
 1.36A 4ryaA-4om9A:
undetectable		 4ryaA-4om9A:
18.00
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.
4pcv BDCA (YJGI)

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A   2
ALA A   3
PHE A  26
ALA A 217
VAL A 213
 None
 1.48A 4ryaA-4pcvA:
undetectable		 4ryaA-4pcvA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 GLY A 158
ALA A 161
PHE A 166
ALA A 143
VAL A 181
 None
 1.44A 4ryaA-4q2cA:
undetectable		 4ryaA-4q2cA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q48 DNA HELICASE RECQ

(Deinococcus
radiodurans) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 ARG A 329
GLY A 325
PHE A 207
ALA A 181
GLN A 322
 None
 1.33A 4ryaA-4q48A:
undetectable		 4ryaA-4q48A:
22.36
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 GLY A 359
ALA A 360
ALA A 491
VAL A 492
TRP A 437
 None
 1.33A 4ryaA-4r6lA:
undetectable		 4ryaA-4r6lA:
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASN A 613
GLY A 752
ALA A 774
ALA A 819
VAL A 820
 None
 1.04A 4ryaA-4rcnA:
undetectable		 4ryaA-4rcnA:
17.08
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 GLY A 161
ALA A 160
ALA A 128
VAL A  73
GLN A 141
 None
 1.39A 4ryaA-4rkrA:
1.7		 4ryaA-4rkrA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		12 ASN A  32
ARG A  65
ARG A 184
GLY A 190
ALA A 194
PHE A 245
ALA A 263
VAL A 265
TRP A 298
TRP A 300
TRP A 302
GLN A 388
 MTL  A 501 (-3.5A)
MTL  A 501 (-3.1A)
MTL  A 501 (-2.7A)
MTL  A 501 (-3.6A)
MTL  A 501 ( 3.7A)
MTL  A 501 ( 3.6A)
MTL  A 501 ( 3.8A)
None
MTL  A 501 ( 4.3A)
MTL  A 501 (-3.6A)
MTL  A 501 (-4.0A)
MTL  A 501 (-3.8A)
 0.03A 4ryaA-4ryaA:
74.9		 4ryaA-4ryaA:
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 ARG A 178
GLY A 172
ALA A 169
ALA A 120
GLN A 170
 None
 1.21A 4ryaA-4u98A:
undetectable		 4ryaA-4u98A:
23.35
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.
4v08 UL26

(Suid
alphaherpesvirus
1) 		PF00716
(Peptidase_S21) 		5 GLY A  35
ALA A  34
PHE A 126
ALA A  30
VAL A  27
 None
 1.18A 4ryaA-4v08A:
undetectable		 4ryaA-4v08A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 GLY A  78
ALA A  49
PHE A  57
ALA A  42
VAL A  10
 None
 1.09A 4ryaA-4x8fA:
undetectable		 4ryaA-4x8fA:
20.24
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.
4xa8 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE
NAD-BINDING

(Xanthobacter
autotrophicus) 		PF02826
(2-Hacid_dh_C) 		5 GLY A  42
ALA A  37
PHE A  64
ALA A  54
VAL A  73
 None
 1.35A 4ryaA-4xa8A:
undetectable		 4ryaA-4xa8A:
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 GLY A 402
ALA A 485
PHE A 591
ALA A 500
VAL A 524
 None
 1.24A 4ryaA-5cbmA:
undetectable		 4ryaA-5cbmA:
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 GLY A 179
ALA A 178
VAL A 302
TRP A 233
GLN A 234
 None
 1.15A 4ryaA-5cm6A:
3.7		 4ryaA-5cm6A:
22.32
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY A  81
ALA A  66
PHE A 118
ALA A 120
VAL A 609
 None
 1.41A 4ryaA-5h3kA:
undetectable		 4ryaA-5h3kA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hfn CEPHALOSPORIN-C
DEACETYLASE

(Thermotoga
maritima) 		PF05448
(AXE1) 		5 GLY A 186
ALA A 185
VAL A 312
TRP A 105
GLN A  88
 None
 1.40A 4ryaA-5hfnA:
undetectable		 4ryaA-5hfnA:
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.
5l9p PERIPLASMIC BINDING
PROTEIN

(Agrobacterium
tumefaciens) 		PF13416
(SBP_bac_8) 		5 GLY A 217
ALA A 220
ALA A 163
VAL A 210
GLN A 219
 SO4  A 402 (-3.3A)
None
None
None
None
 1.49A 4ryaA-5l9pA:
7.4		 4ryaA-5l9pA:
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.
5lnk MITOCHONDRIAL
COMPLEX I, 39 KDA
SUBUNIT

(Ovis aries) 		no annotation 5 GLY d 125
ALA d 124
PHE d 129
ALA d 118
VAL d 156
 None
 1.32A 4ryaA-5lnkd:
undetectable		 4ryaA-5lnkd:
22.04
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 GLY A 259
ALA A 261
PHE A 311
ALA A 604
VAL A 358
 None
 1.21A 4ryaA-5nn8A:
undetectable		 4ryaA-5nn8A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 GLY A 539
ALA A 540
PHE A 518
ALA A 501
VAL A 504
 FAD  A 701 (-3.2A)
FAD  A 701 (-3.8A)
None
None
None
 1.43A 4ryaA-5odrA:
undetectable		 4ryaA-5odrA:
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.
5ovn POL PROTEIN
POL PROTEIN

(Feline
immunodeficiency
virus;
Feline
immunodeficiency
virus) 		no annotation
no annotation 		5 ARG B 142
GLY A  86
ALA A  87
ALA B 128
TRP B  56
 None
 1.30A 4ryaA-5ovnB:
undetectable		 4ryaA-5ovnB:
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.
5tgt GLUTAMATE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c) 		5 ARG A 466
GLY A 375
PHE A 373
ALA A 342
TRP A 341
 None
None
None
SO4  A 607 (-4.4A)
None
 1.12A 4ryaA-5tgtA:
undetectable		 4ryaA-5tgtA:
21.54
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 ARG 3 291
GLY 3 335
ALA 3 338
ALA 3 426
VAL 3 422
 None
 1.34A 4ryaA-5udb3:
undetectable		 4ryaA-5udb3:
18.29
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Homo sapiens) 		PF01370
(Epimerase) 		5 GLY J 160
ALA J 159
PHE J 164
ALA J 153
VAL J 191
 None
 1.47A 4ryaA-5xtdJ:
undetectable		 4ryaA-5xtdJ:
22.77
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 ASN A 543
ALA A 109
ALA A  25
TRP A  29
GLN A 522
 None
 1.39A 4ryaA-5yb7A:
undetectable		 4ryaA-5yb7A:
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.
6bgi ANOCTAMIN-1

(Mus musculus) 		no annotation 5 ALA A 420
PHE A 412
ALA A 345
VAL A 348
TRP A 419
 None
 1.34A 4ryaA-6bgiA:
undetectable		 4ryaA-6bgiA:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLY P 125
ALA P 124
PHE P 129
ALA P 118
VAL P 156
 None
 1.45A 4ryaA-6g2jP:
undetectable		 4ryaA-6g2jP:
undetectable