SIMILAR PATTERNS OF AMINO ACIDS FOR 4M11_C_MXMC606_2

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.
1a76 FLAP ENDONUCLEASE-1
PROTEIN


(Methanocaldococcus
jannaschii)
PF00752
(XPG_N)
PF00867
(XPG_I)
3 LEU A 177
ARG A 186
MET A 194
None
0.97A 4m11C-1a76A:
0.0
4m11C-1a76A:
19.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE


(Ovis aries)
PF00008
(EGF)
PF03098
(An_peroxidase)
3 LEU A 117
ARG A 120
MET A 522
None
SCL  A 700 (-3.9A)
None
0.68A 4m11C-1ebvA:
33.5
4m11C-1ebvA:
64.49
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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE


(Homo sapiens)
PF04209
(HgmA)
3 LEU A  39
ARG A  63
MET A 186
None
0.93A 4m11C-1ey2A:
undetectable
4m11C-1ey2A:
21.55
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I


(Saccharomyces
cerevisiae)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 LEU A 250
ARG A 249
MET A 445
None
0.90A 4m11C-1ezvA:
0.0
4m11C-1ezvA:
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.
1fb5 ORNITHINE
TRANSCARBAMOYLASE


(Ovis aries)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 LEU A 304
ARG A 330
MET A 335
None
0.98A 4m11C-1fb5A:
0.0
4m11C-1fb5A:
21.68
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE


(Escherichia
virus Lambda)
PF00149
(Metallophos)
3 LEU A  44
ARG A  70
MET A   1
None
0.91A 4m11C-1g5bA:
undetectable
4m11C-1g5bA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE


(Thermus
thermophilus)
PF00764
(Arginosuc_synth)
3 LEU A  94
ARG A  92
MET A 174
None
ATP  A 510 ( 4.1A)
None
0.93A 4m11C-1kh2A:
0.0
4m11C-1kh2A:
20.85
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.
1pzr ERYTHRONOLIDE
SYNTHASE


(Saccharopolyspora
erythraea)
PF08990
(Docking)
3 LEU A  93
ARG A  95
MET A  82
None
0.87A 4m11C-1pzrA:
undetectable
4m11C-1pzrA:
8.05
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)


(Ascophyllum
nodosum)
no annotation 3 LEU A 258
ARG A 269
MET A 144
None
0.52A 4m11C-1qi9A:
0.2
4m11C-1qi9A:
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1


(Canis lupus)
PF00151
(Lipase)
PF01477
(PLAT)
3 LEU A 169
ARG A 171
MET A 307
None
0.92A 4m11C-1rp1A:
0.0
4m11C-1rp1A:
20.70
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2


(Carboxydothermus
hydrogenoformans)
PF03063
(Prismane)
3 LEU A 176
ARG A 214
MET A 194
None
0.80A 4m11C-1su7A:
undetectable
4m11C-1su7A:
21.48
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE


(Escherichia
coli)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
3 LEU A 416
ARG A  37
MET A  34
None
UMA  A 963 (-3.0A)
None
0.94A 4m11C-1uagA:
undetectable
4m11C-1uagA:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)


(Thermus
thermophilus)
PF02347
(GDC-P)
3 LEU B  35
ARG B  36
MET A 116
None
0.93A 4m11C-1wytB:
undetectable
4m11C-1wytB:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E


(Mus musculus)
PF00755
(Carn_acyltransf)
3 LEU A 507
ARG A 505
MET A 443
None
0.94A 4m11C-1xl8A:
undetectable
4m11C-1xl8A:
21.46
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57


(Trypanosoma
brucei)
PF01909
(NTP_transf_2)
PF03828
(PAP_assoc)
3 LEU A  70
ARG A 127
MET A 240
None
0.91A 4m11C-2b4vA:
undetectable
4m11C-2b4vA:
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.
2dc5 GLUTATHIONE
S-TRANSFERASE, MU 7


(Mus musculus)
PF02798
(GST_N)
PF14497
(GST_C_3)
3 LEU A  28
ARG A  25
MET A 215
None
0.99A 4m11C-2dc5A:
undetectable
4m11C-2dc5A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2es7 PUTATIVE
THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXIN


(Salmonella
enterica)
PF07449
(HyaE)
3 LEU A  15
ARG A  17
MET A  57
None
0.99A 4m11C-2es7A:
undetectable
4m11C-2es7A:
12.30
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR


(Mycobacterium
tuberculosis)
PF02515
(CoA_transf_3)
3 LEU A  83
ARG A  37
MET A  46
None
0.92A 4m11C-2g04A:
undetectable
4m11C-2g04A:
20.84
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens)
PF00067
(p450)
3 LEU A 111
ARG A 108
MET A 453
None
HEM  A 900 (-2.4A)
None
0.90A 4m11C-2hi4A:
undetectable
4m11C-2hi4A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2l YOPX PROTEIN

(Bacillus
subtilis)
PF09643
(YopX)
3 LEU A  41
ARG A  35
MET A  13
None
0.99A 4m11C-2i2lA:
undetectable
4m11C-2i2lA:
17.36
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C)
3 LEU A 766
ARG A 767
MET A 746
None
0.97A 4m11C-2jgdA:
undetectable
4m11C-2jgdA:
19.39
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.
2lki PUTATIVE
UNCHARACTERIZED
PROTEIN


(Nitrosomonas
europaea)
PF00550
(PP-binding)
3 LEU A  17
ARG A   8
MET A   1
None
0.96A 4m11C-2lkiA:
undetectable
4m11C-2lkiA:
14.59
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN


(Porphyromonas
gingivalis)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
3 LEU A 173
ARG A 331
MET A 281
LEU  A 173 ( 0.6A)
ARG  A 331 ( 0.6A)
PHE  A 279 ( 3.6A)
0.95A 4m11C-2nvvA:
undetectable
4m11C-2nvvA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1


(Homo sapiens)
PF00151
(Lipase)
PF01477
(PLAT)
3 LEU A 187
ARG A 189
MET A 325
None
0.99A 4m11C-2pplA:
undetectable
4m11C-2pplA:
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.
2qt5 GLUTAMATE
RECEPTOR-INTERACTING
PROTEIN 1


(Rattus
norvegicus)
PF00595
(PDZ)
3 LEU A 203
ARG A 202
MET A 147
None
0.87A 4m11C-2qt5A:
undetectable
4m11C-2qt5A:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvw GLP_546_48378_50642

(Giardia
intestinalis)
PF00636
(Ribonuclease_3)
PF02170
(PAZ)
3 LEU A 427
ARG A 535
MET A 530
None
0.97A 4m11C-2qvwA:
3.1
4m11C-2qvwA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu0 PHYTASE

(Klebsiella
pneumoniae)
PF00328
(His_Phos_2)
3 LEU A 336
ARG A 337
MET A 360
None
0.95A 4m11C-2wu0A:
undetectable
4m11C-2wu0A:
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.
3al5 JMJC
DOMAIN-CONTAINING
PROTEIN C2ORF60


(Homo sapiens)
PF13621
(Cupin_8)
3 LEU A 107
ARG A 149
MET A 164
None
0.88A 4m11C-3al5A:
undetectable
4m11C-3al5A:
19.01
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1


(Gossypium
arboreum)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 LEU A 547
ARG A 293
MET A 421
None
1.00A 4m11C-3g4fA:
undetectable
4m11C-3g4fA:
21.92
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE


(Bacteroides
vulgatus)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 LEU A 253
ARG A 285
MET A 406
None
0.89A 4m11C-3gm8A:
undetectable
4m11C-3gm8A:
21.61
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
3 LEU A 362
ARG A 359
MET A 352
None
0.84A 4m11C-3hmjA:
undetectable
4m11C-3hmjA:
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.)
PF00557
(Peptidase_M24)
3 LEU A 242
ARG A 258
MET A 433
None
0.71A 4m11C-3l7gA:
undetectable
4m11C-3l7gA:
21.25
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS


(Streptomyces
sp. CK4412)
PF00975
(Thioesterase)
3 LEU A  32
ARG A  33
MET A  68
None
0.98A 4m11C-3lcrA:
undetectable
4m11C-3lcrA:
20.88
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.
3q6s CHROMOBOX PROTEIN
HOMOLOG 1


(Homo sapiens)
PF01393
(Chromo_shadow)
3 LEU A 168
ARG A 167
MET A 136
None
0.80A 4m11C-3q6sA:
undetectable
4m11C-3q6sA:
9.31
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE


(Alteromonas
macleodii)
PF00557
(Peptidase_M24)
3 LEU A 242
ARG A 258
MET A 436
None
0.81A 4m11C-3rvaA:
undetectable
4m11C-3rvaA:
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Streptococcus
mutans)
PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C)
3 LEU A 333
ARG A 332
MET A 160
None
GOL  A 392 (-4.0A)
None
0.92A 4m11C-3sqzA:
undetectable
4m11C-3sqzA:
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL


(Homo sapiens)
PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N)
3 LEU A1638
ARG A1635
MET A1623
None
0.82A 4m11C-3topA:
undetectable
4m11C-3topA:
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.
3tsr RIBONUCLEASE
INHIBITOR
RIBONUCLEASE
PANCREATIC


(Mus musculus)
PF00074
(RnaseA)
PF13516
(LRR_6)
3 LEU E 452
ARG E 453
MET A  36
None
0.77A 4m11C-3tsrE:
undetectable
4m11C-3tsrE:
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE


(Streptomyces
coelicolor)
no annotation 3 LEU A 274
ARG A 273
MET A 330
GST  A 511 (-4.6A)
None
None
0.96A 4m11C-3v1vA:
undetectable
4m11C-3v1vA:
21.75
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.
4a5p PROTEIN MXIA

(Shigella
flexneri)
PF00771
(FHIPEP)
3 LEU A 537
ARG A 536
MET A 617
None
0.70A 4m11C-4a5pA:
undetectable
4m11C-4a5pA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
3 LEU A 785
ARG A 822
MET A 234
None
0.75A 4m11C-4bedA:
1.0
4m11C-4bedA:
15.47
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.
4c0e NOT1

(Chaetomium
thermophilum)
PF04054
(Not1)
3 LEU A2145
ARG A2143
MET A2098
None
0.93A 4m11C-4c0eA:
undetectable
4m11C-4c0eA:
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.
4cu8 GLYCOSIDE HYDROLASE
2


(Streptococcus
pneumoniae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 LEU A 391
ARG A 425
MET A 558
None
EDO  A1986 (-3.7A)
None
0.99A 4m11C-4cu8A:
undetectable
4m11C-4cu8A:
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.
4cvc ALCOHOL
DEHYDROGENASE


(Pseudogluconobacter
saccharoketogenes)
PF13360
(PQQ_2)
3 LEU A 327
ARG A 310
MET A 341
None
0.95A 4m11C-4cvcA:
undetectable
4m11C-4cvcA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dni FUSION PROTEIN OF
RNA-EDITING COMPLEX
PROTEINS MP42 AND
MP18


(Trypanosoma
brucei)
PF00436
(SSB)
3 LEU A  67
ARG A  91
MET A 119
None
0.92A 4m11C-4dniA:
undetectable
4m11C-4dniA:
17.58
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 LEU A 358
ARG A 359
MET A 129
LEU  A 358 (-0.5A)
ARG  A 359 ( 0.6A)
MET  A 129 ( 0.0A)
1.00A 4m11C-4flxA:
undetectable
4m11C-4flxA:
22.09
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.
4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR


(Homo sapiens)
PF01403
(Sema)
3 LEU A 262
ARG A 185
MET A  58
None
EDO  A 616 ( 3.3A)
None
0.99A 4m11C-4fwwA:
undetectable
4m11C-4fwwA:
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.
4g2t SSFS6

(Streptomyces
sp. SF2575)
PF00201
(UDPGT)
PF06722
(DUF1205)
3 LEU A 153
ARG A  87
MET A  74
None
1.00A 4m11C-4g2tA:
undetectable
4m11C-4g2tA:
20.36
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.
4gip FUSION GLYCOPROTEIN
F1
FUSION GLYCOPROTEIN
F2


(Mammalian
rubulavirus 5)
PF00523
(Fusion_gly)
3 LEU A  94
ARG A  91
MET D 269
None
0.97A 4m11C-4gipA:
undetectable
4m11C-4gipA:
10.00
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens)
PF00067
(p450)
3 LEU A 109
ARG A 106
MET A 452
None
HEM  A 601 (-2.7A)
None
0.87A 4m11C-4i8vA:
0.7
4m11C-4i8vA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 LEU A 241
ARG A 272
MET A 407
None
0.88A 4m11C-4jhzA:
undetectable
4m11C-4jhzA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
3 LEU A 242
ARG A 274
MET A 406
None
0.97A 4m11C-4jkmA:
undetectable
4m11C-4jkmA:
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.
4l1d SODIUM CHANNEL
SUBUNIT BETA-3


(Homo sapiens)
PF07686
(V-set)
3 LEU A 116
ARG A 115
MET A  25
None
0.93A 4m11C-4l1dA:
undetectable
4m11C-4l1dA:
12.61
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.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
3 LEU A 337
ARG A 333
MET A 113
None
0.84A 4m11C-4n6kA:
undetectable
4m11C-4n6kA:
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.
4ns4 ALPHA/BETA HYDROLASE
FOLD PROTEIN


(Psychrobacter
cryohalolentis)
PF00561
(Abhydrolase_1)
3 LEU A  97
ARG A  96
MET A  84
None
0.77A 4m11C-4ns4A:
undetectable
4m11C-4ns4A:
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.
4ns4 ALPHA/BETA HYDROLASE
FOLD PROTEIN


(Psychrobacter
cryohalolentis)
PF00561
(Abhydrolase_1)
3 LEU A 100
ARG A  96
MET A  84
None
0.99A 4m11C-4ns4A:
undetectable
4m11C-4ns4A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2


(Mus musculus)
PF00008
(EGF)
PF03098
(An_peroxidase)
3 LEU A 118
ARG A 121
MET A 523
None
BOG  A 604 ( 3.7A)
None
0.56A 4m11C-4ph9A:
63.5
4m11C-4ph9A:
99.64
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3


(Thermobaculum
terrenum)
PF00271
(Helicase_C)
3 LEU A 694
ARG A 693
MET A 360
None
0.87A 4m11C-4q2cA:
0.9
4m11C-4q2cA:
19.11
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.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli)
PF00557
(Peptidase_M24)
3 LEU A 244
ARG A 260
MET A 436
None
0.87A 4m11C-4qr8A:
undetectable
4m11C-4qr8A:
22.62
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.
4qt8 MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR


(Homo sapiens)
no annotation 3 LEU B 262
ARG B 185
MET B  58
None
0.91A 4m11C-4qt8B:
undetectable
4m11C-4qt8B:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rit PYRIDOXAL-DEPENDENT
DECARBOXYLASE


(Sphaerobacter
thermophilus)
no annotation 3 LEU B 153
ARG B 352
MET B 118
None
0.93A 4m11C-4ritB:
undetectable
4m11C-4ritB:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s3k SPORE GERMINATION
PROTEIN YAAH


(Bacillus
megaterium)
PF00704
(Glyco_hydro_18)
PF01476
(LysM)
3 LEU A 401
ARG A 402
MET A 246
None
SO4  A 501 (-2.9A)
None
0.87A 4m11C-4s3kA:
undetectable
4m11C-4s3kA:
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN


(Homo sapiens)
PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2)
3 LEU A1812
ARG A1808
MET A1675
None
0.82A 4m11C-4yknA:
undetectable
4m11C-4yknA:
17.24
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 LEU A 288
ARG A 320
MET A 441
None
0.91A 4m11C-4ypjA:
undetectable
4m11C-4ypjA:
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.
4z96 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
PF14533
(USP7_C2)
3 LEU A 941
ARG A 940
MET A 988
None
0.93A 4m11C-4z96A:
undetectable
4m11C-4z96A:
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.
4zaa FDC1

(Aspergillus
niger)
PF01977
(UbiD)
3 LEU A 430
ARG A 380
MET A 462
None
0.85A 4m11C-4zaaA:
undetectable
4m11C-4zaaA:
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.
4zbz URACIL-DNA
GLYCOSYLASE


(Sulfurisphaera
tokodaii)
PF03167
(UDG)
3 LEU A 106
ARG A 108
MET A   1
None
0.86A 4m11C-4zbzA:
undetectable
4m11C-4zbzA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwo ORGANOPHOSPHATE
ANHYDROLASE/PROLIDAS
E


(Alteromonas sp.)
PF00557
(Peptidase_M24)
3 LEU A 242
ARG A 258
MET A 433
None
0.83A 4m11C-4zwoA:
undetectable
4m11C-4zwoA:
22.42
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA


(Schizosaccharomyces
pombe)
PF01008
(IF-2B)
3 LEU A 153
ARG A 122
MET A  35
None
0.86A 4m11C-5b04A:
2.4
4m11C-5b04A:
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.
5ci6 MITOGEN-ACTIVATED
PROTEIN KINASE 6


(Arabidopsis
thaliana)
PF00069
(Pkinase)
3 LEU A 133
ARG A 134
MET A 378
None
0.90A 4m11C-5ci6A:
undetectable
4m11C-5ci6A:
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.
5cxf ENVELOPE
GLYCOPROTEIN B


(Human
betaherpesvirus
5)
PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2)
3 LEU A 671
ARG A 672
MET A 683
None
0.79A 4m11C-5cxfA:
undetectable
4m11C-5cxfA:
21.61
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.
5dnf C-C MOTIF CHEMOKINE
5


(Homo sapiens)
PF00048
(IL8)
3 LEU A  19
ARG A  21
MET A  67
None
0.80A 4m11C-5dnfA:
undetectable
4m11C-5dnfA:
7.83
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Acinetobacter
baumannii)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
3 LEU A  61
ARG A  62
MET A 666
None
0.85A 4m11C-5fp1A:
undetectable
4m11C-5fp1A:
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP42
EXOSOME COMPLEX
COMPONENT SKI6


(Saccharomyces
cerevisiae)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
3 LEU B  61
ARG B  60
MET E   1
None
0.84A 4m11C-5g06B:
undetectable
4m11C-5g06B:
18.69
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S


(Oryctolagus
cuniculus)
PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH)
3 LEU A 175
ARG A 174
MET A 103
None
0.97A 4m11C-5gjvA:
undetectable
4m11C-5gjvA:
14.31
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.
5h12 DEEP VENT DNA
POLYMERASE


(Pyrococcus)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 LEU A 358
ARG A 359
MET A 129
None
0.94A 4m11C-5h12A:
undetectable
4m11C-5h12A:
21.69
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8)
PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C)
3 LEU A 606
ARG A 591
MET A 507
None
0.93A 4m11C-5hqbA:
undetectable
4m11C-5hqbA:
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.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis)
PF13354
(Beta-lactamase2)
3 LEU A 217
ARG A 219
MET A  68
None
SO4  A 301 ( 4.2A)
None
0.80A 4m11C-5hw3A:
undetectable
4m11C-5hw3A:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2


(Homo sapiens)
PF00008
(EGF)
PF03098
(An_peroxidase)
3 LEU A 117
ARG A 120
MET A 522
None
ID8  A 601 ( 4.4A)
ID8  A 601 (-4.2A)
0.45A 4m11C-5ikrA:
37.0
4m11C-5ikrA:
88.20
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE


(Paraburkholderia
xenovorans)
PF13561
(adh_short_C2)
3 LEU A  57
ARG A 235
MET A 231
None
0.86A 4m11C-5jc8A:
undetectable
4m11C-5jc8A:
18.05
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.
5jou ALPHA-XYLOSIDASE
BOGH31A


(Bacteroides
ovatus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
3 LEU A 394
ARG A 392
MET A 751
None
0.80A 4m11C-5jouA:
undetectable
4m11C-5jouA:
19.77
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.
5k3j ACYL-COENZYME A
OXIDASE


(Caenorhabditis
elegans)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
3 LEU A  97
ARG A  42
MET A  28
None
0.98A 4m11C-5k3jA:
undetectable
4m11C-5k3jA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1


(Homo sapiens)
PF02230
(Abhydrolase_2)
3 LEU A 161
ARG A 136
MET A  97
None
0.78A 4m11C-5kreA:
undetectable
4m11C-5kreA:
16.36
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.
5med ARACHIDONATE
15-LIPOXYGENASE


(Cyanothece sp.
PCC 8801)
PF00305
(Lipoxygenase)
3 LEU A 552
ARG A 551
MET A 374
None
0.94A 4m11C-5medA:
undetectable
4m11C-5medA:
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN


(Thermus
thermophilus)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
3 LEU A 196
ARG A 199
MET A 321
None
0.82A 4m11C-5mkkA:
undetectable
4m11C-5mkkA:
22.15
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR


(Pseudomonas
aeruginosa)
no annotation 3 LEU A  72
ARG A  73
MET A 682
None
0.97A 4m11C-5necA:
undetectable
4m11C-5necA:
9.93
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A


(Methanothermococcus
thermolithotrophicus)
PF00374
(NiFeSe_Hases)
3 LEU F 335
ARG F 331
MET F 434
None
0.95A 4m11C-5odrF:
undetectable
4m11C-5odrF:
20.70
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.
5t2n I-ONUI_E-AG007820

(synthetic
construct)
PF00961
(LAGLIDADG_1)
3 LEU A 211
ARG A 207
MET A 138
None
0.99A 4m11C-5t2nA:
undetectable
4m11C-5t2nA:
19.61
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 LEU A 776
ARG A 806
MET A 346
None
0.94A 4m11C-5t98A:
undetectable
4m11C-5t98A:
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE


(Trichormus
variabilis)
PF01761
(DHQ_synthase)
3 LEU A 346
ARG A 348
MET A 356
SO4  A 505 (-4.7A)
None
None
0.90A 4m11C-5tprA:
0.6
4m11C-5tprA:
23.22
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.
5ty0 ELONGATION FACTOR G

(Legionella
pneumophila)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
3 LEU A   5
ARG A  81
MET A 362
None
0.88A 4m11C-5ty0A:
undetectable
4m11C-5ty0A:
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.
5u7g CREB-BINDING PROTEIN

(Mus musculus)
PF00439
(Bromodomain)
PF00569
(ZZ)
PF06001
(DUF902)
PF08214
(HAT_KAT11)
3 LEU A1682
ARG A1683
MET A1291
None
0.93A 4m11C-5u7gA:
undetectable
4m11C-5u7gA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uth THIOREDOXIN
REDUCTASE


(Mycolicibacterium
smegmatis)
PF07992
(Pyr_redox_2)
3 LEU A 248
ARG A 245
MET A  46
FAD  A 400 (-4.6A)
FAD  A 400 ( 3.6A)
None
0.97A 4m11C-5uthA:
undetectable
4m11C-5uthA:
19.28
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE


(Paenibacillus
sp. 598K)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110)
3 LEU A  67
ARG A  76
MET A  92
None
0.95A 4m11C-5x7sA:
undetectable
4m11C-5x7sA:
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM


(Homo sapiens)
no annotation 3 LEU A 812
ARG A 808
MET A 675
None
0.82A 4m11C-5xgjA:
undetectable
4m11C-5xgjA:
11.69
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22


(Homo sapiens)
no annotation 3 LEU A 604
ARG A 550
MET A 661
None
0.86A 4m11C-5y31A:
undetectable
4m11C-5y31A:
9.56
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus)
no annotation 3 LEU A 660
ARG A 659
MET A 467
None
0.81A 4m11C-5y3jA:
undetectable
4m11C-5y3jA:
9.60
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN


(Bacteroides
cellulosilyticus)
no annotation 3 LEU A 267
ARG A 299
MET A 420
None
0.91A 4m11C-6b6lA:
undetectable
4m11C-6b6lA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfi VIN1

(Oscarella
pearsei)
no annotation 3 LEU A 185
ARG A 762
MET A 804
None
0.79A 4m11C-6bfiA:
undetectable
4m11C-6bfiA:
10.85
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.
6dft

()
no annotation 3 LEU B 125
ARG B 126
MET A 385
None
0.97A 4m11C-6dftB:
undetectable
4m11C-6dftB:
undetectable