SIMILAR PATTERNS OF AMINO ACIDS FOR 4YBN_A_ACTA303_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.
1dqw OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Saccharomyces
cerevisiae)
PF00215
(OMPdecase)
3 VAL A 220
TYR A 251
ALA A 254
None
0.42A 4ybnA-1dqwA:
0.0
4ybnA-1dqwA:
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.
1gqo DEHYDROQUINASE

(Bacillus
subtilis)
PF01220
(DHquinase_II)
3 VAL A  71
TYR A 131
ALA A 134
None
0.48A 4ybnA-1gqoA:
undetectable
4ybnA-1gqoA:
22.33
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum)
PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
3 VAL A 532
TYR A 518
ALA A 521
None
0.47A 4ybnA-1i2dA:
0.0
4ybnA-1i2dA:
19.06
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE


(Pseudomonas sp.
CF600)
PF00682
(HMGL-like)
PF07836
(DmpG_comm)
3 VAL A  32
TYR A  72
ALA A  75
None
0.56A 4ybnA-1nvmA:
0.0
4ybnA-1nvmA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjb L-ALANINE
DEHYDROGENASE


(Phormidium
lapideum)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
3 VAL A  23
TYR A  50
ALA A  53
None
0.51A 4ybnA-1pjbA:
0.0
4ybnA-1pjbA:
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.
1vhz ADP COMPOUNDS
HYDROLASE NUDE


(Escherichia
coli)
PF00293
(NUDIX)
3 VAL A 127
TYR A  89
ALA A  92
None
0.56A 4ybnA-1vhzA:
0.0
4ybnA-1vhzA:
22.03
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
3 VAL A 483
TYR A 557
ALA A 560
None
0.47A 4ybnA-1w07A:
0.0
4ybnA-1w07A:
16.11
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP


(Escherichia
coli)
PF01432
(Peptidase_M3)
3 VAL 1  71
TYR 1  27
ALA 1  30
None
0.41A 4ybnA-1y791:
0.0
4ybnA-1y791:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D


(Methanothermobacter
thermautotrophicus)
PF00710
(Asparaginase)
3 VAL A 397
TYR A 182
ALA A 185
None
0.55A 4ybnA-2d6fA:
0.0
4ybnA-2d6fA:
22.81
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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus)
PF02645
(DegV)
3 VAL A  83
TYR A  73
ALA A  76
None
0.51A 4ybnA-2dt8A:
undetectable
4ybnA-2dt8A:
25.76
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum)
PF12891
(Glyco_hydro_44)
3 VAL A 279
TYR A 387
ALA A 356
None
0.56A 4ybnA-2e0pA:
undetectable
4ybnA-2e0pA:
18.64
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida)
PF11647
(MLD)
3 VAL A1240
TYR A1260
ALA A1187
None
0.56A 4ybnA-2ec5A:
undetectable
4ybnA-2ec5A:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Staphylococcus
aureus)
PF01425
(Amidase)
3 VAL A 220
TYR A 466
ALA A 469
None
0.54A 4ybnA-2f2aA:
undetectable
4ybnA-2f2aA:
21.11
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.
2f8q ALKALINE
THERMOSTABLE
ENDOXYLANASE


(Bacillus sp.
NG-27)
PF00331
(Glyco_hydro_10)
3 VAL A  37
TYR A 343
ALA A   5
None
0.57A 4ybnA-2f8qA:
undetectable
4ybnA-2f8qA:
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE


(Anabaena sp.)
PF05996
(Fe_bilin_red)
3 VAL A 183
TYR A 130
ALA A 133
None
0.55A 4ybnA-2g18A:
undetectable
4ybnA-2g18A:
19.92
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.
2ho1 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILF


(Pseudomonas
aeruginosa)
PF13414
(TPR_11)
PF13424
(TPR_12)
3 VAL A 107
TYR A  94
ALA A  97
None
0.56A 4ybnA-2ho1A:
undetectable
4ybnA-2ho1A:
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.
2n6j ZINC METALLOPROTEASE
ZMP1


(Clostridioides
difficile)
PF07737
(ATLF)
3 VAL A 152
TYR A  68
ALA A  71
None
0.47A 4ybnA-2n6jA:
undetectable
4ybnA-2n6jA:
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.
2ob5 HYPOTHETICAL PROTEIN
ATU2016


(Agrobacterium
fabrum)
PF05025
(RbsD_FucU)
3 VAL A  38
TYR A 118
ALA A 121
None
0.52A 4ybnA-2ob5A:
undetectable
4ybnA-2ob5A:
21.66
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.
2p0q ALR1010 PROTEIN

(Nostoc sp. PCC
7120)
PF11535
(Calci_bind_CcbP)
3 VAL A   4
TYR A 118
ALA A 121
None
0.54A 4ybnA-2p0qA:
undetectable
4ybnA-2p0qA:
20.55
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.
2pkd SLAM FAMILY MEMBER 5

(Homo sapiens)
no annotation 3 VAL A  43
TYR A  72
ALA A  67
None
0.54A 4ybnA-2pkdA:
undetectable
4ybnA-2pkdA:
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN


(Listeria
monocytogenes)
PF06751
(EutB)
3 VAL A 323
TYR A 312
ALA A 315
None
0.44A 4ybnA-2qezA:
undetectable
4ybnA-2qezA:
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.
2uyg 3-DEHYDROQUINATE
DEHYDRATASE


(Thermus
thermophilus)
PF01220
(DHquinase_II)
3 VAL A  71
TYR A 131
ALA A 134
None
0.42A 4ybnA-2uygA:
undetectable
4ybnA-2uygA:
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
3 VAL A 416
TYR A 406
ALA A 409
None
0.55A 4ybnA-2vmfA:
undetectable
4ybnA-2vmfA:
14.05
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.
2wd5 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
1A


(Mus musculus)
PF06470
(SMC_hinge)
3 VAL A 618
TYR A 530
ALA A 533
None
0.47A 4ybnA-2wd5A:
undetectable
4ybnA-2wd5A:
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.
2y7i STM4351

(Salmonella
enterica)
PF00497
(SBP_bac_3)
3 VAL A 174
TYR A 159
ALA A 162
None
0.57A 4ybnA-2y7iA:
undetectable
4ybnA-2y7iA:
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.
3a0h PHOTOSYSTEM II CP43
PROTEIN


(Thermosynechococcus
vulcanus)
PF00421
(PSII)
3 VAL C  99
TYR C 186
ALA C  93
None
0.56A 4ybnA-3a0hC:
undetectable
4ybnA-3a0hC:
17.23
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688


(Pyrococcus
horikoshii)
PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C)
3 VAL A 193
TYR A 142
ALA A 202
None
0.57A 4ybnA-3abiA:
undetectable
4ybnA-3abiA:
20.86
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN


(Escherichia
coli)
PF06751
(EutB)
3 VAL A 323
TYR A 312
ALA A 315
None
0.52A 4ybnA-3anyA:
undetectable
4ybnA-3anyA:
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00565
(SNase)
PF00567
(TUDOR)
3 VAL A 831
TYR A 853
ALA A 856
None
0.54A 4ybnA-3bdlA:
undetectable
4ybnA-3bdlA:
18.35
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.
3bs4 UNCHARACTERIZED
PROTEIN PH0321


(Pyrococcus
horikoshii)
no annotation 3 VAL A  86
TYR A 118
ALA A 121
None
0.43A 4ybnA-3bs4A:
undetectable
4ybnA-3bs4A:
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.
3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE


(Bacillus
halodurans)
PF16499
(Melibiase_2)
3 VAL A 122
TYR A 152
ALA A 139
None
0.55A 4ybnA-3cc1A:
undetectable
4ybnA-3cc1A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g10 CCR4-NOT COMPLEX
SUBUNIT CAF1


(Schizosaccharomyces
pombe)
PF04857
(CAF1)
3 VAL A  79
TYR A 170
ALA A 173
None
0.39A 4ybnA-3g10A:
undetectable
4ybnA-3g10A:
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.
3gmi UPF0348 PROTEIN
MJ0951


(Methanocaldococcus
jannaschii)
PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass)
3 VAL A 170
TYR A 193
ALA A 196
None
0.57A 4ybnA-3gmiA:
undetectable
4ybnA-3gmiA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i27 HEMAGGLUTININ-ESTERA
SE


(Bovine
torovirus)
PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
3 VAL A 283
TYR A 128
ALA A 131
None
0.56A 4ybnA-3i27A:
undetectable
4ybnA-3i27A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE


(Pisum sativum)
PF00171
(Aldedh)
3 VAL A 204
TYR A  77
ALA A  80
None
0.55A 4ybnA-3iwjA:
undetectable
4ybnA-3iwjA:
17.46
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE


(Pisum sativum)
PF00171
(Aldedh)
3 VAL A 204
TYR A  77
ALA A  80
None
0.49A 4ybnA-3iwkA:
undetectable
4ybnA-3iwkA:
18.90
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.
3kb6 D-LACTATE
DEHYDROGENASE


(Aquifex
aeolicus)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
3 VAL A 311
TYR A  16
ALA A  19
None
0.54A 4ybnA-3kb6A:
undetectable
4ybnA-3kb6A:
21.41
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
3 VAL A  81
TYR A 109
ALA A 112
None
0.52A 4ybnA-3lk6A:
undetectable
4ybnA-3lk6A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm2 PUTATIVE KINASE

(Agrobacterium
fabrum)
PF00480
(ROK)
3 VAL A  42
TYR A  86
ALA A  89
None
0.35A 4ybnA-3lm2A:
undetectable
4ybnA-3lm2A:
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.
3n0c THYMIDYLATE SYNTHASE
THYX


(Thermotoga
maritima)
PF02511
(Thy1)
3 VAL A  11
TYR A 186
ALA A 189
None
0.53A 4ybnA-3n0cA:
undetectable
4ybnA-3n0cA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2b DIAMINOPIMELATE
DECARBOXYLASE


(Vibrio cholerae)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
3 VAL A 194
TYR A 183
ALA A 186
None
0.55A 4ybnA-3n2bA:
undetectable
4ybnA-3n2bA:
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.
3qok PUTATIVE CHITINASE
II


(Klebsiella
pneumoniae)
PF00704
(Glyco_hydro_18)
3 VAL A 207
TYR A 259
ALA A 262
None
0.53A 4ybnA-3qokA:
undetectable
4ybnA-3qokA:
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE


(Klebsiella
pneumoniae)
PF05035
(DGOK)
3 VAL A 234
TYR A 259
ALA A 262
None
0.52A 4ybnA-3r1xA:
undetectable
4ybnA-3r1xA:
22.90
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE


(Corynebacterium
glutamicum)
PF00171
(Aldedh)
3 VAL A 151
TYR A  56
ALA A  59
VAL  A 151 ( 0.6A)
TYR  A  56 ( 1.3A)
ALA  A  59 ( 0.0A)
0.29A 4ybnA-3r64A:
undetectable
4ybnA-3r64A:
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.
3u80 3-DEHYDROQUINATE
DEHYDRATASE, TYPE II


(Bifidobacterium
longum)
PF01220
(DHquinase_II)
3 VAL A  72
TYR A 135
ALA A 138
None
0.34A 4ybnA-3u80A:
undetectable
4ybnA-3u80A:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]


(Saccharomyces
cerevisiae)
PF05222
(AlaDh_PNT_N)
3 VAL A  26
TYR A  51
ALA A  54
None
0.55A 4ybnA-3ugkA:
undetectable
4ybnA-3ugkA:
21.41
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1


(Brucella
melitensis)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
3 VAL A 194
TYR A 183
ALA A 186
None
0.51A 4ybnA-3vabA:
undetectable
4ybnA-3vabA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wks O-PHOSPHO-L-SERYL-TR
NA:CYS-TRNA SYNTHASE


(Methanocaldococcus
jannaschii)
PF05889
(SepSecS)
3 VAL A 140
TYR A 130
ALA A 133
None
0.52A 4ybnA-3wksA:
undetectable
4ybnA-3wksA:
18.38
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.
3zla NUCLEOPROTEIN

(Bunyamwera
orthobunyavirus)
PF00952
(Bunya_nucleocap)
3 VAL A 208
TYR A 158
ALA A 161
None
0.51A 4ybnA-3zlaA:
undetectable
4ybnA-3zlaA:
20.40
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1


(Yersinia pestis)
PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b)
3 VAL A 309
TYR A  53
ALA A  56
None
NAI  A1400 ( 4.9A)
None
0.54A 4ybnA-3zu4A:
undetectable
4ybnA-3zu4A:
20.38
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius)
no annotation 3 VAL A  47
TYR A  26
ALA A  29
None
0.52A 4ybnA-4awdA:
undetectable
4ybnA-4awdA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL


(Cavia porcellus)
PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C)
3 VAL A 393
TYR A 485
ALA A 488
None
0.53A 4ybnA-4bc7A:
undetectable
4ybnA-4bc7A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE


(Methanocaldococcus
jannaschii)
PF00464
(SHMT)
3 VAL A 179
TYR A 195
ALA A 217
None
0.56A 4ybnA-4bhdA:
undetectable
4ybnA-4bhdA:
20.41
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051


(Burkholderia
pseudomallei)
PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b)
3 VAL A 308
TYR A  53
ALA A  56
None
0.56A 4ybnA-4bkoA:
undetectable
4ybnA-4bkoA:
25.20
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis)
PF00817
(IMS)
3 VAL A  17
TYR A  83
ALA A  86
None
0.53A 4ybnA-4dezA:
undetectable
4ybnA-4dezA:
22.65
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.
4dio NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1


(Sinorhizobium
meliloti)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
3 VAL A  54
TYR A  81
ALA A  84
None
0.50A 4ybnA-4dioA:
undetectable
4ybnA-4dioA:
18.81
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.
4e08 DJ-1 BETA

(Drosophila
melanogaster)
PF01965
(DJ-1_PfpI)
3 VAL A  24
TYR A 159
ALA A 162
None
0.44A 4ybnA-4e08A:
undetectable
4ybnA-4e08A:
22.84
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.
4g25 PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL


(Arabidopsis
thaliana)
PF16953
(PRORP)
PF17177
(PPR_long)
3 VAL A 233
TYR A 214
ALA A 217
None
0.49A 4ybnA-4g25A:
undetectable
4ybnA-4g25A:
19.84
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.
4gj1 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE


(Campylobacter
jejuni)
PF00977
(His_biosynth)
3 VAL A 234
TYR A  40
ALA A  43
None
0.54A 4ybnA-4gj1A:
undetectable
4ybnA-4gj1A:
23.93
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.
4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN


(Streptococcus
pneumoniae)
PF00497
(SBP_bac_3)
3 VAL A 135
TYR A 143
ALA A 216
None
0.52A 4ybnA-4h5gA:
undetectable
4ybnA-4h5gA:
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.
4h7u PYRANOSE
DEHYDROGENASE


(Leucoagaricus
meleagris)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 VAL A  29
TYR A 562
ALA A 565
None
0.46A 4ybnA-4h7uA:
undetectable
4ybnA-4h7uA:
17.77
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.
4hzu PREDICTED MEMBRANE
PROTEIN


(Lactobacillus
brevis)
PF07155
(ECF-ribofla_trS)
3 VAL S  91
TYR S  45
ALA S  48
None
0.47A 4ybnA-4hzuS:
undetectable
4ybnA-4hzuS:
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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
PF00105
(zf-C4)
3 VAL A 306
TYR A 279
ALA A 282
None
0.57A 4ybnA-4iqrA:
undetectable
4ybnA-4iqrA:
19.76
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1


(Thermus
thermophilus)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
3 VAL A  24
TYR A  51
ALA A  54
None
0.57A 4ybnA-4j16A:
undetectable
4ybnA-4j16A:
22.34
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.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE


(Burkholderia
cenocepacia)
PF01041
(DegT_DnrJ_EryC1)
3 VAL A 371
TYR A 264
ALA A 267
None
0.40A 4ybnA-4lc3A:
undetectable
4ybnA-4lc3A:
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.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)


(Bradyrhizobium
sp. BTAi1)
PF03480
(DctP)
3 VAL A 316
TYR A 303
ALA A 307
None
0.50A 4ybnA-4n8yA:
undetectable
4ybnA-4n8yA:
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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE


(Geobacillus
stearothermophilus)
PF16499
(Melibiase_2)
3 VAL A 136
TYR A 166
ALA A 153
None
0.50A 4ybnA-4nxkA:
undetectable
4ybnA-4nxkA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o3s DNA POLYMERASE ETA

(Homo sapiens)
PF00817
(IMS)
PF11799
(IMS_C)
3 VAL A  21
TYR A  92
ALA A  95
None
0.48A 4ybnA-4o3sA:
undetectable
4ybnA-4o3sA:
19.86
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.
4pzj TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY


(Eggerthella
lenta)
PF00126
(HTH_1)
3 VAL A  32
TYR A  18
ALA A  21
None
CL  A 101 (-4.9A)
None
0.55A 4ybnA-4pzjA:
undetectable
4ybnA-4pzjA:
18.42
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18


(Serratia
proteamaculans)
PF00704
(Glyco_hydro_18)
3 VAL A 207
TYR A 259
ALA A 262
None
0.45A 4ybnA-4q22A:
undetectable
4ybnA-4q22A:
22.50
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN


(Pseudomonas
protegens)
PF13458
(Peripla_BP_6)
3 VAL A 248
TYR A 283
ALA A 280
None
0.57A 4ybnA-4ru0A:
undetectable
4ybnA-4ru0A:
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297)
no annotation 3 VAL A 208
TYR A 197
ALA A 200
None
0.57A 4ybnA-4ru5A:
undetectable
4ybnA-4ru5A:
18.32
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.
4tmd UNCHARACTERIZED
PROTEIN


(Mycolicibacterium
smegmatis)
no annotation 3 VAL A 209
TYR A 174
ALA A 101
None
0.57A 4ybnA-4tmdA:
undetectable
4ybnA-4tmdA:
22.41
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.
4tpv PLATELET INHIBITOR

(Ancylostoma
caninum)
PF00188
(CAP)
3 VAL A 127
TYR A  55
ALA A  58
None
GOL  A 201 ( 3.4A)
None
0.44A 4ybnA-4tpvA:
undetectable
4ybnA-4tpvA:
20.44
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4


(Homo sapiens)
PF06470
(SMC_hinge)
3 VAL B 717
TYR B 629
ALA B 632
None
0.51A 4ybnA-4u4pB:
undetectable
4ybnA-4u4pB:
21.51
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.
4xyw O-ANTIGEN
BIOSYNTHESIS
GLYCOSYLTRANSFERASE
WBNH


(Escherichia
coli)
PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4)
3 VAL A 163
TYR A 328
ALA A 331
None
0.51A 4ybnA-4xywA:
undetectable
4ybnA-4xywA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ybn FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN


(Mycolicibacterium
smegmatis)
PF12900
(Pyridox_ox_2)
3 VAL A  56
TYR A 123
ALA A 126
None
ACT  A 303 (-3.7A)
ACT  A 303 ( 3.9A)
0.00A 4ybnA-4ybnA:
33.0
4ybnA-4ybnA:
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE


(Aspergillus
flavus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 VAL A  19
TYR A 554
ALA A 557
None
0.55A 4ybnA-4ynuA:
undetectable
4ybnA-4ynuA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bvl DESIGNED TIM BARREL
STIM11


(synthetic
construct)
no annotation 3 VAL A 147
TYR A 160
ALA A 176
None
0.57A 4ybnA-5bvlA:
undetectable
4ybnA-5bvlA:
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.
5ewp ARO (ARMADILLO
REPEATS ONLY
PROTEIN)


(Plasmodium
falciparum)
no annotation 3 VAL A  51
TYR A 101
ALA A 104
None
0.42A 4ybnA-5ewpA:
undetectable
4ybnA-5ewpA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN


(Clostridium sp.)
PF13561
(adh_short_C2)
3 VAL A  15
TYR A  37
ALA A  40
None
0.57A 4ybnA-5g4lA:
undetectable
4ybnA-5g4lA:
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.
5h69 CHROMOSOME PARTITION
PROTEIN SMC


(Geobacillus
stearothermophilus)
PF06470
(SMC_hinge)
3 VAL A 550
TYR A 613
ALA A 616
None
0.51A 4ybnA-5h69A:
undetectable
4ybnA-5h69A:
24.91
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.
5h69 CHROMOSOME PARTITION
PROTEIN SMC


(Geobacillus
stearothermophilus)
PF06470
(SMC_hinge)
3 VAL A 626
TYR A 534
ALA A 537
None
0.56A 4ybnA-5h69A:
undetectable
4ybnA-5h69A:
24.91
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B


(Homo sapiens)
no annotation 3 VAL A 640
TYR A 479
ALA A 482
None
0.51A 4ybnA-5hdtA:
undetectable
4ybnA-5hdtA:
11.04
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.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis)
PF01177
(Asp_Glu_race)
3 VAL A 102
TYR A 128
ALA A 131
None
0.42A 4ybnA-5hj7A:
undetectable
4ybnA-5hj7A:
25.35
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT


(Pyrococcus
abyssi)
PF03833
(PolC_DP2)
3 VAL A  39
TYR A  22
ALA A  25
None
0.29A 4ybnA-5ijlA:
undetectable
4ybnA-5ijlA:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis)
PF01177
(Asp_Glu_race)
3 VAL A 103
TYR A 129
ALA A 132
None
0.33A 4ybnA-5ijwA:
undetectable
4ybnA-5ijwA:
24.03
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae)
no annotation 3 VAL A 206
TYR A 238
ALA A 241
None
0.41A 4ybnA-5jtaA:
undetectable
4ybnA-5jtaA:
15.43
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.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae)
no annotation 3 VAL A 206
TYR A 238
ALA A 241
None
0.46A 4ybnA-5m4aA:
undetectable
4ybnA-5m4aA:
17.32
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.
5o67 FAPF

(Pseudomonas sp.
UK4)
no annotation 3 VAL B 274
TYR B  96
ALA B  99
None
0.54A 4ybnA-5o67B:
undetectable
4ybnA-5o67B:
22.51
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.
5swu PENTAFUNCTIONAL AROM
POLYPEPTIDE


(Aspergillus
fumigatus)
PF01487
(DHquinase_I)
3 VAL A1152
TYR A1141
ALA A1144
None
0.34A 4ybnA-5swuA:
undetectable
4ybnA-5swuA:
22.79
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.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE


(Klebsiella
pneumoniae)
PF16363
(GDP_Man_Dehyd)
3 VAL A 321
TYR A 271
ALA A 274
None
0.52A 4ybnA-5u4qA:
undetectable
4ybnA-5u4qA:
20.34
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.
5u7w APYRASE

(Trifolium
repens)
PF01150
(GDA1_CD39)
3 VAL A  38
TYR A 387
ALA A 390
None
0.40A 4ybnA-5u7wA:
undetectable
4ybnA-5u7wA:
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis)
no annotation 3 VAL A 380
TYR A 466
ALA A 469
None
0.50A 4ybnA-5ue0A:
undetectable
4ybnA-5ue0A:
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE


(Escherichia
coli)
PF00795
(CN_hydrolase)
3 VAL A 227
TYR A 249
ALA A 252
None
0.46A 4ybnA-5xhqA:
undetectable
4ybnA-5xhqA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL


(Homo sapiens;
Homo sapiens)
PF04800
(ETC_C1_NDUFA4)
PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
3 VAL M  71
TYR L 160
ALA M  93
None
0.56A 4ybnA-5xtbM:
undetectable
4ybnA-5xtbM:
17.16
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.
5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE


(Trichomonas
vaginalis)
PF01090
(Ribosomal_S19e)
3 VAL T  35
TYR T  61
ALA T  64
None
0.44A 4ybnA-5xyiT:
undetectable
4ybnA-5xyiT:
21.88
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.
5zbl CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE


(Corynebacterium
glutamicum)
no annotation 3 VAL A 144
TYR A  27
ALA A  30
None
0.48A 4ybnA-5zblA:
undetectable
4ybnA-5zblA:
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.
6cwr -

(-)
no annotation 3 VAL A 133
TYR A 155
ALA A 158
None
0.54A 4ybnA-6cwrA:
undetectable
4ybnA-6cwrA:
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.
6d72 SPERMIDINE
N1-ACETYLTRANSFERASE


(Yersinia pestis)
no annotation 3 VAL A   7
TYR A  99
ALA A 102
None
0.35A 4ybnA-6d72A:
undetectable
4ybnA-6d72A:
undetectable