SIMILAR PATTERNS OF AMINO ACIDS FOR 3IJD_B_C2FB314_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhg BETA-GLUCURONIDASE

(Homo sapiens)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 THR A 599
LYS A 359
GLU A 544
None
0.98A 3ijdB-1bhgA:
12.7
3ijdB-1bhgA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0w DIPHTHERIA TOXIN
REPRESSOR


(Corynebacterium
diphtheriae)
PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
3 THR A 180
LYS A   2
GLU A 175
None
1.02A 3ijdB-1c0wA:
undetectable
3ijdB-1c0wA:
21.32
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.
1dc1 BSOBI RESTRICTION
ENDONUCLEASE


(Geobacillus
stearothermophilus)
PF09194
(Endonuc-BsobI)
3 THR A 310
LYS A  37
GLU A  23
None
1.01A 3ijdB-1dc1A:
2.4
3ijdB-1dc1A:
22.64
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.
1j2q PROTEASOME BETA
SUBUNIT


(Archaeoglobus
fulgidus)
PF00227
(Proteasome)
3 THR H 179
LYS H 195
GLU H 182
None
0.87A 3ijdB-1j2qH:
undetectable
3ijdB-1j2qH:
20.65
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.
1jeo HYPOTHETICAL PROTEIN
MJ1247


(Methanocaldococcus
jannaschii)
PF01380
(SIS)
3 THR A  77
LYS A 178
GLU A  74
None
CME  A 177 ( 3.5A)
None
0.96A 3ijdB-1jeoA:
undetectable
3ijdB-1jeoA:
23.03
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU


(Haemophilus
influenzae)
PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small)
3 THR A 353
LYS A  24
GLU A 354
None
0.83A 3ijdB-1kyiA:
2.1
3ijdB-1kyiA:
22.35
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)


(Rattus
norvegicus)
PF00351
(Biopterin_H)
PF01842
(ACT)
3 THR A 380
LYS A 150
GLU A  21
None
0.96A 3ijdB-1phzA:
undetectable
3ijdB-1phzA:
22.12
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG


(Bacillus
subtilis)
PF09234
(DUF1963)
3 THR A 164
LYS A 194
GLU A 161
None
0.71A 3ijdB-1pv5A:
undetectable
3ijdB-1pv5A:
20.31
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.
1pzt BETA-1,4-GALACTOSYLT
RANSFERASE 1


(Bos taurus)
PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N)
3 THR A 395
LYS A 156
GLU A 384
None
0.91A 3ijdB-1pztA:
undetectable
3ijdB-1pztA:
21.32
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.
1q8k EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1


(Homo sapiens)
PF00575
(S1)
PF07541
(EIF_2_alpha)
3 THR A 244
LYS A 153
GLU A 245
None
0.94A 3ijdB-1q8kA:
undetectable
3ijdB-1q8kA:
26.33
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.
1x4k SKELETAL MUSCLE
LIM-PROTEIN 3


(Homo sapiens)
PF00412
(LIM)
3 THR A  32
LYS A   1
GLU A  10
None
None
ZN  A 201 ( 4.7A)
0.81A 3ijdB-1x4kA:
undetectable
3ijdB-1x4kA:
12.70
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE


(Achromobacter
cycloclastes)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
3 THR A  90
LYS A  16
GLU A  46
None
0.91A 3ijdB-2avfA:
undetectable
3ijdB-2avfA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana)
PF00291
(PALP)
3 THR A 273
LYS A 437
GLU A 277
None
0.94A 3ijdB-2c2gA:
undetectable
3ijdB-2c2gA:
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF01156
(IU_nuc_hydro)
3 THR A  59
LYS A 144
GLU A  61
None
0.99A 3ijdB-2c40A:
undetectable
3ijdB-2c40A:
18.57
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.
2cjq RNA-DIRECTED RNA
POLYMERASE


(Pestivirus A)
PF00998
(RdRP_3)
3 THR A 480
LYS A 175
GLU A 483
None
1.02A 3ijdB-2cjqA:
undetectable
3ijdB-2cjqA:
19.30
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.
2fi9 OUTER MEMBRANE
PROTEIN


(Bartonella
henselae)
PF04430
(DUF498)
3 THR A  55
LYS A  11
GLU A  57
None
0.75A 3ijdB-2fi9A:
undetectable
3ijdB-2fi9A:
18.51
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.
2mf4 HYBRID POLYKETIDE
SYNTHASE-NON
RIBOSOMAL PEPTIDE
SYNTHETASE


(Streptomyces
virginiae)
PF00550
(PP-binding)
3 THR A6762
LYS A  -4
GLU A6761
None
0.99A 3ijdB-2mf4A:
undetectable
3ijdB-2mf4A:
14.48
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.
2ob5 HYPOTHETICAL PROTEIN
ATU2016


(Agrobacterium
fabrum)
PF05025
(RbsD_FucU)
3 THR A  31
LYS A  -3
GLU A 132
None
0.90A 3ijdB-2ob5A:
undetectable
3ijdB-2ob5A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE


(Escherichia
virus N4)
no annotation 3 THR A 170
LYS A 670
GLU A 205
None
1.02A 3ijdB-2po4A:
undetectable
3ijdB-2po4A:
14.74
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.
2pof CDP-DIACYLGLYCEROL
PYROPHOSPHATASE


(Escherichia
coli)
PF02611
(CDH)
3 THR A  33
LYS A 114
GLU A  41
None
0.78A 3ijdB-2pofA:
undetectable
3ijdB-2pofA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcz OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR YAET


(Escherichia
coli)
PF07244
(POTRA)
3 THR A 225
LYS A 310
GLU A 224
None
0.97A 3ijdB-2qczA:
undetectable
3ijdB-2qczA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
3 THR A 168
LYS A 129
GLU A 174
None
1.00A 3ijdB-2waeA:
undetectable
3ijdB-2waeA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa2 TREHALOSE-SYNTHASE
TRET


(Pyrococcus
horikoshii)
PF00534
(Glycos_transf_1)
3 THR A 216
LYS A 391
GLU A 217
None
0.80A 3ijdB-2xa2A:
undetectable
3ijdB-2xa2A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT


(Methanosarcina
mazei)
PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
3 THR A  23
LYS A 160
GLU A  15
None
0.95A 3ijdB-2xr1A:
undetectable
3ijdB-2xr1A:
20.68
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 THR O 327
LYS O 427
GLU O 324
None
0.91A 3ijdB-2zf5O:
undetectable
3ijdB-2zf5O:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zr2 SERYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
3 THR A  42
LYS A  15
GLU A  39
None
1.00A 3ijdB-2zr2A:
undetectable
3ijdB-2zr2A:
21.06
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus)
PF00291
(PALP)
3 THR A 166
LYS A 322
GLU A 170
None
0.93A 3ijdB-3aexA:
undetectable
3ijdB-3aexA:
19.60
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.
3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1


(Mycobacterium
tuberculosis)
PF00296
(Bac_luciferase)
3 THR A 204
LYS A 259
GLU A 201
None
FLC  A 337 (-2.8A)
None
0.81A 3ijdB-3b4yA:
14.0
3ijdB-3b4yA:
20.10
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.
3e8p UNCHARACTERIZED
PROTEIN


(Shewanella
oneidensis)
PF03061
(4HBT)
3 THR A 129
LYS A  12
GLU A  50
None
0.88A 3ijdB-3e8pA:
undetectable
3ijdB-3e8pA:
19.87
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.
3fdj DEGV FAMILY PROTEIN

([Eubacterium]
eligens)
PF02645
(DegV)
3 THR A  28
LYS A  12
GLU A  31
None
1.00A 3ijdB-3fdjA:
undetectable
3ijdB-3fdjA:
21.28
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1


(Prunus dulcis)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 THR A 119
LYS A   1
GLU A 178
NAG  A 525 (-3.5A)
None
NAG  A 525 (-3.7A)
0.90A 3ijdB-3gdnA:
undetectable
3ijdB-3gdnA:
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT


(Saccharomyces
cerevisiae)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 THR A 133
LYS A 199
GLU A 131
None
0.99A 3ijdB-3iayA:
undetectable
3ijdB-3iayA:
15.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ijd UNCHARACTERIZED
PROTEIN


(Ruminiclostridium
thermocellum)
PF02219
(MTHFR)
3 THR A  19
LYS A 172
GLU A 280
C2F  A 314 ( 3.8A)
C2F  A 314 (-2.5A)
C2F  A 314 (-3.3A)
0.17A 3ijdB-3ijdA:
50.0
3ijdB-3ijdA:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42
PRE-MRNA-PROCESSING
PROTEIN 45
PRE-MRNA-SPLICING
FACTOR CWF5


(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
PF02731
(SKIP_SNW)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
3 THR M 206
LYS A 114
GLU a  38
None
0.92A 3ijdB-3jb9M:
undetectable
3ijdB-3jb9M:
19.47
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.
3jte RESPONSE REGULATOR
RECEIVER PROTEIN


(Ruminiclostridium
thermocellum)
PF00072
(Response_reg)
3 THR A  37
LYS A 106
GLU A  38
None
1.02A 3ijdB-3jteA:
undetectable
3ijdB-3jteA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khd PYRUVATE KINASE

(Plasmodium
falciparum)
PF00224
(PK)
PF02887
(PK_C)
3 THR A 329
LYS A 200
GLU A 326
None
1.02A 3ijdB-3khdA:
9.8
3ijdB-3khdA:
21.14
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.
3khd PYRUVATE KINASE

(Plasmodium
falciparum)
PF00224
(PK)
PF02887
(PK_C)
3 THR A 329
LYS A 264
GLU A 326
None
0.97A 3ijdB-3khdA:
9.8
3ijdB-3khdA:
21.14
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B


(Homo sapiens)
PF00069
(Pkinase)
3 THR A 103
LYS A  53
GLU A 105
None
0.97A 3ijdB-3lm5A:
undetectable
3ijdB-3lm5A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m16 TRANSALDOLASE

(Oleispira
antarctica)
PF00923
(TAL_FSA)
3 THR A 237
LYS A 139
GLU A 239
None
0.97A 3ijdB-3m16A:
7.8
3ijdB-3m16A:
19.30
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 THR A 291
LYS A 401
GLU A 290
None
1.00A 3ijdB-3n0gA:
undetectable
3ijdB-3n0gA:
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.
3o26 SALUTARIDINE
REDUCTASE


(Papaver
somniferum)
PF00106
(adh_short)
PF13561
(adh_short_C2)
3 THR A 141
LYS A  22
GLU A 143
None
NDP  A 312 (-3.8A)
None
0.99A 3ijdB-3o26A:
2.2
3ijdB-3o26A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pe5 UNCHARACTERIZED
PROTEIN


([Clostridium]
leptum)
PF03816
(LytR_cpsA_psr)
3 THR A 373
LYS A 276
GLU A 360
None
0.94A 3ijdB-3pe5A:
undetectable
3ijdB-3pe5A:
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Candida
albicans)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
3 THR A 572
LYS A  19
GLU A 620
None
0.99A 3ijdB-3ppcA:
5.9
3ijdB-3ppcA:
18.71
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE


(Sus scrofa)
PF00305
(Lipoxygenase)
3 THR A 237
LYS A 189
GLU A 357
None
None
OYP  A 664 (-3.6A)
1.01A 3ijdB-3rdeA:
undetectable
3ijdB-3rdeA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 THR A 119
LYS A   1
GLU A 178
None
0.86A 3ijdB-3redA:
undetectable
3ijdB-3redA:
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE


(Pseudomonas
aeruginosa)
PF02274
(Amidinotransf)
3 THR A 112
LYS A 184
GLU A 114
None
0.86A 3ijdB-3rhyA:
undetectable
3ijdB-3rhyA:
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.
3tb6 ARABINOSE METABOLISM
TRANSCRIPTIONAL
REPRESSOR


(Bacillus
subtilis)
PF13377
(Peripla_BP_3)
3 THR A 144
LYS A 279
GLU A 142
None
None
ARB  A 400 (-4.4A)
0.81A 3ijdB-3tb6A:
undetectable
3ijdB-3tb6A:
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE


(Leishmania
donovani)
PF00291
(PALP)
3 THR A 192
LYS A  67
GLU A 163
None
0.98A 3ijdB-3tbhA:
undetectable
3ijdB-3tbhA:
24.38
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.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120


(Human
immunodeficiency
virus 1)
PF00516
(GP120)
3 THR A 232
LYS A 357
GLU A 269
None
0.82A 3ijdB-3tihA:
undetectable
3ijdB-3tihA:
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.
3tqx 2-AMINO-3-KETOBUTYRA
TE COENZYME A LIGASE


(Coxiella
burnetii)
PF00155
(Aminotran_1_2)
3 THR A 375
LYS A  61
GLU A  34
None
0.83A 3ijdB-3tqxA:
undetectable
3ijdB-3tqxA:
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.
3v0i VOLTAGE-SENSOR
CONTAINING
PHOSPHATASE


(Ciona
intestinalis)
PF00782
(DSPc)
PF10409
(PTEN_C2)
3 THR A 565
LYS A 437
GLU A 547
None
0.80A 3ijdB-3v0iA:
undetectable
3ijdB-3v0iA:
19.50
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC


(Oryza sativa)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
3 THR A 506
LYS A 441
GLU A 485
None
0.96A 3ijdB-3vueA:
undetectable
3ijdB-3vueA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE


(Escherichia
coli;
Archaeoglobus
fulgidus)
PF13416
(SBP_bac_8)
3 THR A 791
LYS A 681
GLU A 814
None
0.90A 3ijdB-3waiA:
undetectable
3ijdB-3waiA:
17.66
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23


(Clostridium
botulinum;
Homo sapiens)
PF01742
(Peptidase_M27)
PF07952
(Toxin_trans)
3 THR A 535
LYS A 905
GLU A 529
None
1.00A 3ijdB-3zusA:
undetectable
3ijdB-3zusA:
16.31
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Pseudomonas
aeruginosa)
PF00483
(NTP_transferase)
3 THR A 200
LYS A  25
GLU A 198
None
0.63A 3ijdB-4asyA:
undetectable
3ijdB-4asyA:
20.30
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE


(Giardia
intestinalis)
PF00121
(TIM)
3 THR A 140
LYS A  13
GLU A 134
None
0.90A 3ijdB-4bi5A:
9.6
3ijdB-4bi5A:
19.57
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.
4bum VOLTAGE-DEPENDENT
ANION CHANNEL 2


(Danio rerio)
PF01459
(Porin_3)
3 THR X  70
LYS X  12
GLU X  84
None
0.87A 3ijdB-4bumX:
undetectable
3ijdB-4bumX:
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 8
HOMOLOG


(Saccharomyces
cerevisiae)
PF00004
(AAA)
3 THR J 271
LYS J  87
GLU J 274
None
0.89A 3ijdB-4cr4J:
undetectable
3ijdB-4cr4J:
22.20
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.
4f7o COP9 SIGNALOSOME
COMPLEX SUBUNIT 5


(Homo sapiens)
PF01398
(JAB)
3 THR A 103
LYS A 219
GLU A  76
None
0.92A 3ijdB-4f7oA:
undetectable
3ijdB-4f7oA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glx DNA LIGASE

(Escherichia
coli)
PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
3 THR A 135
LYS A 194
GLU A 143
None
1.00A 3ijdB-4glxA:
undetectable
3ijdB-4glxA:
18.27
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN


(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 THR A 380
LYS A 492
GLU A 304
None
MLY  A 491 ( 3.0A)
MG  A 602 ( 4.2A)
1.00A 3ijdB-4gxrA:
undetectable
3ijdB-4gxrA:
20.35
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.
4l8p BILE ACID
7A-DEHYDRATASE, BAIE


([Clostridium]
hiranonis)
PF13577
(SnoaL_4)
3 THR A  87
LYS A  58
GLU A  89
None
0.84A 3ijdB-4l8pA:
undetectable
3ijdB-4l8pA:
21.20
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.
4q73 PROLINE
DEHYDROGENASE


(Bradyrhizobium
diazoefficiens)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
3 THR A 876
LYS A 110
GLU A 874
None
0.87A 3ijdB-4q73A:
2.6
3ijdB-4q73A:
15.08
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
3 THR A 291
LYS A 725
GLU A 295
None
0.94A 3ijdB-4wz9A:
undetectable
3ijdB-4wz9A:
14.61
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.
4xjx HSDR

(Escherichia
coli)
PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C)
3 THR A 491
LYS A 527
GLU A 490
None
0.94A 3ijdB-4xjxA:
undetectable
3ijdB-4xjxA:
14.34
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN


(Homo sapiens)
PF00955
(HCO3_cotransp)
3 THR A 685
LYS A 539
GLU A 681
None
4KU  A1000 (-1.4A)
4KU  A1000 (-4.4A)
0.88A 3ijdB-4yzfA:
undetectable
3ijdB-4yzfA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z42 UREASE SUBUNIT BETA
UREASE SUBUNIT ALPHA


(Yersinia
enterocolitica;
Yersinia
enterocolitica)
PF00699
(Urease_beta)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 THR B 135
LYS C 101
GLU B 137
None
0.97A 3ijdB-4z42B:
undetectable
3ijdB-4z42B:
19.50
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.
4zgz ANTIZYME INHIBITOR 1

(Homo sapiens)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
3 THR A  67
LYS A 141
GLU A 271
None
0.85A 3ijdB-4zgzA:
8.3
3ijdB-4zgzA:
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
3 THR A 254
LYS A 699
GLU A 336
None
0.91A 3ijdB-4zktA:
undetectable
3ijdB-4zktA:
14.06
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES


(Anoxybacillus
ayderensis)
PF00128
(Alpha-amylase)
3 THR A 273
LYS A 216
GLU A 270
None
0.82A 3ijdB-5a2aA:
10.8
3ijdB-5a2aA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE


(Tepidanaerobacter
acetatoxydans)
PF01268
(FTHFS)
3 THR A 469
LYS A 310
GLU A 475
None
0.86A 3ijdB-5a5gA:
3.2
3ijdB-5a5gA:
20.35
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.
5an1 GLUTATHIONE
S-TRANSFERASE


(Litopenaeus
vannamei)
PF02798
(GST_N)
PF14497
(GST_C_3)
3 THR A 113
LYS A  50
GLU A 109
None
GSH  A1220 (-3.6A)
None
1.00A 3ijdB-5an1A:
undetectable
3ijdB-5an1A:
20.73
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.
5bq5 INSERTION SEQUENCE
IS5376 PUTATIVE
ATP-BINDING PROTEIN


(Geobacillus
stearothermophilus)
PF01695
(IstB_IS21)
3 THR A 112
LYS A 153
GLU A 167
MG  A 302 ( 3.1A)
None
BEF  A 303 ( 4.9A)
1.02A 3ijdB-5bq5A:
undetectable
3ijdB-5bq5A:
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.
5d9a RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT


(Influenza C
virus)
PF00602
(Flu_PB1)
3 THR B  57
LYS B 379
GLU B  55
None
1.01A 3ijdB-5d9aB:
undetectable
3ijdB-5d9aB:
19.36
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC


(Homo sapiens)
PF08123
(DOT1)
3 THR A 217
LYS A 261
GLU A 219
None
0.90A 3ijdB-5dtrA:
undetectable
3ijdB-5dtrA:
20.87
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.
5fsa CYP51 VARIANT1

(Candida
albicans)
PF00067
(p450)
3 THR A 384
LYS A 287
GLU A 116
None
0.96A 3ijdB-5fsaA:
undetectable
3ijdB-5fsaA:
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2


(Homo sapiens)
no annotation 3 THR I 280
LYS I 371
GLU I 338
None
1.02A 3ijdB-5furI:
undetectable
3ijdB-5furI:
14.34
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta)
PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8)
3 THR A  71
LYS A 212
GLU A  93
None
None
NAG  A 905 (-3.5A)
0.56A 3ijdB-5gmhA:
undetectable
3ijdB-5gmhA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz8 PROTEIN O-MANNOSE
KINASE


(Mus musculus)
PF07714
(Pkinase_Tyr)
3 THR A  78
LYS A 115
GLU A  75
None
0.95A 3ijdB-5gz8A:
undetectable
3ijdB-5gz8A:
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.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Burkholderia
vietnamiensis)
PF00483
(NTP_transferase)
3 THR A 201
LYS A  26
GLU A 199
None
THM  A 301 ( 3.8A)
None
1.02A 3ijdB-5idtA:
undetectable
3ijdB-5idtA:
19.53
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Burkholderia
vietnamiensis)
PF00483
(NTP_transferase)
3 THR A 200
LYS A  25
GLU A 198
TRH  A 500 (-4.5A)
TRH  A 500 ( 4.0A)
None
0.62A 3ijdB-5ifyA:
undetectable
3ijdB-5ifyA:
21.64
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.
5ihw SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN E


(Staphylococcus
aureus)
PF10425
(SdrG_C_C)
3 THR A 447
LYS A 364
GLU A 449
None
1.00A 3ijdB-5ihwA:
undetectable
3ijdB-5ihwA:
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE


(Klebsiella
pneumoniae;
Klebsiella
pneumoniae)
PF03968
(OstA)
PF04453
(OstA_C)
PF04390
(LptE)
3 THR A 614
LYS B 158
GLU A 616
None
0.91A 3ijdB-5iv9A:
undetectable
3ijdB-5iv9A:
16.73
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.
5iys PHYTOENE SYNTHASE

(Enterococcus
hirae)
PF00494
(SQS_PSY)
3 THR A 191
LYS A 115
GLU A 188
None
0.95A 3ijdB-5iysA:
undetectable
3ijdB-5iysA:
20.18
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.
5j47 LARGE T ANTIGEN

(Human
polyomavirus 2)
PF06431
(Polyoma_lg_T_C)
3 THR A 434
LYS A 372
GLU A 474
None
1.00A 3ijdB-5j47A:
undetectable
3ijdB-5j47A:
22.14
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.
5n6n PROTEIN BMH1

(Saccharomyces
cerevisiae)
no annotation 3 THR A 116
LYS A  13
GLU A 118
None
0.97A 3ijdB-5n6nA:
undetectable
3ijdB-5n6nA:
20.78
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Pseudomonas
aeruginosa)
no annotation 3 THR A 426
LYS A  87
GLU A 368
None
0.81A 3ijdB-5necA:
undetectable
3ijdB-5necA:
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.
5o98 ALCOHOL
DEHYDROGENASE 1


(Catharanthus
roseus)
no annotation 3 THR A 128
LYS A  18
GLU A 130
None
NAP  A 501 (-3.9A)
None
0.80A 3ijdB-5o98A:
undetectable
3ijdB-5o98A:
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes)
no annotation 3 THR C 201
LYS C 212
GLU C 203
None
0.96A 3ijdB-5o9cC:
undetectable
3ijdB-5o9cC:
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE


(Neisseria
gonorrhoeae)
PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C)
3 THR A 377
LYS A 181
GLU A 368
None
0.93A 3ijdB-5t8tA:
undetectable
3ijdB-5t8tA:
21.09
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.
5u1d ANTIGEN PEPTIDE
TRANSPORTER 1
ANTIGEN PEPTIDE
TRANSPORTER 2


(Homo sapiens;
Homo sapiens)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
3 THR A 455
LYS B 277
GLU A 459
None
0.86A 3ijdB-5u1dA:
undetectable
3ijdB-5u1dA:
15.69
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.
5us8 ARGININOSUCCINATE
SYNTHASE


(Bordetella
pertussis)
PF00764
(Arginosuc_synth)
3 THR A 201
LYS A 155
GLU A 203
None
0.91A 3ijdB-5us8A:
undetectable
3ijdB-5us8A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xzb CYCLIC GMP-AMP
SYNTHASE


(Mus musculus)
PF03281
(Mab-21)
3 THR A 197
LYS A 409
GLU A 202
None
0.85A 3ijdB-5xzbA:
undetectable
3ijdB-5xzbA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xzb CYCLIC GMP-AMP
SYNTHASE


(Mus musculus)
PF03281
(Mab-21)
3 THR A 197
LYS A 409
GLU A 371
None
0.97A 3ijdB-5xzbA:
undetectable
3ijdB-5xzbA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1


(Danio rerio)
no annotation 3 THR A 319
LYS A 259
GLU A 316
None
0.95A 3ijdB-6b82A:
undetectable
3ijdB-6b82A:
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum)
no annotation 3 THR A  80
LYS A  66
GLU A  83
None
0.79A 3ijdB-6bvdA:
undetectable
3ijdB-6bvdA:
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.
6d1q RNA
PYROPHOSPHOHYDROLASE


(Escherichia
coli)
no annotation 3 THR B 118
LYS B   0
GLU B 120
None
1.01A 3ijdB-6d1qB:
undetectable
3ijdB-6d1qB:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2


(Saccharomyces
cerevisiae)
no annotation 3 THR A 216
LYS A 250
GLU A 213
None
0.92A 3ijdB-6emkA:
undetectable
3ijdB-6emkA:
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.
6h25


(;
)
no annotation
no annotation
3 THR A  72
LYS B   6
GLU A 119
None
0.86A 3ijdB-6h25A:
undetectable
3ijdB-6h25A:
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.
6h7x -

(-)
no annotation 3 THR A 388
LYS A  43
GLU A 384
None
1.01A 3ijdB-6h7xA:
undetectable
3ijdB-6h7xA:
undetectable