SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_D_MTXD164_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.
1a05 3-ISOPROPYLMALATE
DEHYDROGENASE


(Acidithiobacillus
ferrooxidans)
PF00180
(Iso_dh)
3 ARG A  95
ILE A 170
THR A 197
IPM  A 401 (-3.2A)
None
None
0.72A 3ia4D-1a05A:
0.0
3ia4D-1a05A:
19.31
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT


(Escherichia
coli)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
3 ARG A 428
ILE A 259
THR A 462
None
None
FAD  A 600 ( 3.8A)
0.56A 3ia4D-1ddgA:
1.5
3ia4D-1ddgA:
20.05
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica)
PF00135
(COesterase)
3 ARG A 216
ILE A 319
THR A 497
None
0.71A 3ia4D-1gqrA:
undetectable
3ia4D-1gqrA:
14.81
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans)
PF00704
(Glyco_hydro_18)
3 ARG A 217
ILE A  80
THR A  98
None
0.64A 3ia4D-1itxA:
0.0
3ia4D-1itxA:
17.27
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE


(Solanum
tuberosum)
PF01536
(SAM_decarbox)
3 ARG A 101
ILE A  82
THR A  86
None
0.74A 3ia4D-1mhmA:
0.6
3ia4D-1mhmA:
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE


(Arthrobacter
sp.)
PF00857
(Isochorismatase)
3 ARG A  83
ILE A 168
THR A 181
None
0.69A 3ia4D-1nbaA:
undetectable
3ia4D-1nbaA:
21.84
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A


(Escherichia
coli)
PF13847
(Methyltransf_31)
3 ARG A 141
ILE A 152
THR A  87
None
0.72A 3ia4D-1p91A:
undetectable
3ia4D-1p91A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4o RIBONUCLEASE III

(Saccharomyces
cerevisiae)
PF00035
(dsrm)
3 ARG A 405
ILE A 420
THR A 394
None
0.74A 3ia4D-1t4oA:
undetectable
3ia4D-1t4oA:
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE


([Candida]
tenuis)
PF00248
(Aldo_ket_red)
3 ARG A 267
ILE A 245
THR A 236
None
0.60A 3ia4D-1z9aA:
0.2
3ia4D-1z9aA:
18.94
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.
2b0c PUTATIVE PHOSPHATASE

(Escherichia
coli)
PF13419
(HAD_2)
3 ARG A 104
ILE A  18
THR A 116
None
0.70A 3ia4D-2b0cA:
undetectable
3ia4D-2b0cA:
23.70
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.
2b5i INTERLEUKIN-2
RECEPTOR BETA CHAIN


(Homo sapiens)
no annotation 3 ARG B  42
ILE B  18
THR B 192
None
0.68A 3ia4D-2b5iB:
undetectable
3ia4D-2b5iB:
20.48
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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus)
PF01670
(Glyco_hydro_12)
3 ARG A  88
ILE A 127
THR A 169
None
None
GOL  A1230 (-3.8A)
0.71A 3ia4D-2bwaA:
undetectable
3ia4D-2bwaA:
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.
2d1c ISOCITRATE
DEHYDROGENASE


(Thermus
thermophilus)
PF00180
(Iso_dh)
3 ARG A 104
ILE A  25
THR A  38
CIT  A1585 (-3.1A)
None
None
0.67A 3ia4D-2d1cA:
1.5
3ia4D-2d1cA:
16.91
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.
2dxa PROTEIN YBAK

(Escherichia
coli)
PF04073
(tRNA_edit)
3 ARG A  94
ILE A 103
THR A  27
None
0.56A 3ia4D-2dxaA:
undetectable
3ia4D-2dxaA:
22.47
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.
2e3u HYPOTHETICAL PROTEIN
PH1566


(Pyrococcus
horikoshii)
PF00013
(KH_1)
3 ARG A  44
ILE A  69
THR A  65
None
0.73A 3ia4D-2e3uA:
undetectable
3ia4D-2e3uA:
21.23
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.
2e7z ACETYLENE HYDRATASE
AHY


(Pelobacter
acetylenicus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
3 ARG A 314
ILE A 197
THR A 204
None
None
MGD  A 802 (-4.2A)
0.72A 3ia4D-2e7zA:
1.1
3ia4D-2e7zA:
13.03
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis)
PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C)
3 ARG A 154
ILE A 315
THR A 168
None
0.51A 3ia4D-2fknA:
undetectable
3ia4D-2fknA:
16.04
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE


(Thermus
caldophilus)
PF01565
(FAD_binding_4)
PF02873
(MurB_C)
3 ARG A 251
ILE A 235
THR A  14
None
0.47A 3ia4D-2gqtA:
undetectable
3ia4D-2gqtA:
22.76
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN


(Thermoplasma
acidophilum)
PF01019
(G_glu_transpept)
3 ARG A   5
ILE A 424
THR A 445
None
0.58A 3ia4D-2i3oA:
undetectable
3ia4D-2i3oA:
16.47
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2


(Pseudomonas
aeruginosa)
PF02127
(Peptidase_M18)
3 ARG A 341
ILE A 378
THR A 262
None
0.69A 3ia4D-2ijzA:
undetectable
3ia4D-2ijzA:
17.31
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.
2jjx URIDYLATE KINASE

(Bacillus
anthracis)
PF00696
(AA_kinase)
3 ARG A  28
ILE A  50
THR A 140
None
0.64A 3ia4D-2jjxA:
2.4
3ia4D-2jjxA:
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.
2o1w ENDOPLASMIN

(Canis lupus)
PF00183
(HSP90)
PF02518
(HATPase_c)
3 ARG A 448
ILE A 115
THR A 155
None
0.70A 3ia4D-2o1wA:
undetectable
3ia4D-2o1wA:
14.46
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA


(Azotobacter
vinelandii)
PF00696
(AA_kinase)
3 ARG A 169
ILE A 188
THR A 214
None
0.70A 3ia4D-2ogxA:
undetectable
3ia4D-2ogxA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pc6 PROBABLE
ACETOLACTATE
SYNTHASE ISOZYME III
(SMALL SUBUNIT)


(Nitrosomonas
europaea)
PF10369
(ALS_ss_C)
PF13710
(ACT_5)
3 ARG A 156
ILE A   4
THR A 149
None
0.64A 3ia4D-2pc6A:
undetectable
3ia4D-2pc6A:
28.88
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.
2xvo SSO1725

(Sulfolobus
solfataricus)
no annotation 3 ARG A  67
ILE A 169
THR A 173
None
0.62A 3ia4D-2xvoA:
undetectable
3ia4D-2xvoA:
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.
2zko NON-STRUCTURAL
PROTEIN 1


(Influenza A
virus)
PF00600
(Flu_NS1)
3 ARG A  19
ILE A  54
THR A  49
GOL  A  71 (-3.9A)
None
C  D   4 ( 3.4A)
0.67A 3ia4D-2zkoA:
undetectable
3ia4D-2zkoA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvy CHEMOTAXIS PROTEIN
MOTB


(Salmonella
enterica)
PF00691
(OmpA)
3 ARG A 174
ILE A 153
THR A 197
None
0.55A 3ia4D-2zvyA:
undetectable
3ia4D-2zvyA:
23.16
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE


(Pseudomonas sp.
ATCC 19121)
PF00155
(Aminotran_1_2)
3 ARG A 265
ILE A 273
THR A 307
None
0.70A 3ia4D-2zy2A:
undetectable
3ia4D-2zy2A:
14.23
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 ARG A 342
ILE A  66
THR A 111
None
0.50A 3ia4D-3abiA:
2.6
3ia4D-3abiA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7m CELLULASE

(Rhodothermus
marinus)
PF01670
(Glyco_hydro_12)
3 ARG A  79
ILE A 117
THR A 161
None
0.65A 3ia4D-3b7mA:
undetectable
3ia4D-3b7mA:
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR


(Pseudomonas
aeruginosa)
PF00072
(Response_reg)
PF00990
(GGDEF)
3 ARG A 276
ILE A 298
THR A 302
None
0.71A 3ia4D-3breA:
undetectable
3ia4D-3breA:
18.49
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus)
PF01979
(Amidohydro_1)
3 ARG A 339
ILE A  52
THR A 412
None
0.75A 3ia4D-3d6nA:
undetectable
3ia4D-3d6nA:
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.
3dgz THIOREDOXIN
REDUCTASE 2


(Mus musculus)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 ARG A 135
ILE A  12
THR A 316
None
0.71A 3ia4D-3dgzA:
undetectable
3ia4D-3dgzA:
16.70
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.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE


(Aquifex
aeolicus)
PF13847
(Methyltransf_31)
3 ARG A 131
ILE A 110
THR A  46
None
0.75A 3ia4D-3dh0A:
2.3
3ia4D-3dh0A:
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.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL


(Homo sapiens)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG B  19
ILE B 157
THR B 240
None
0.54A 3ia4D-3exhB:
undetectable
3ia4D-3exhB:
21.36
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.
3fhg N-GLYCOSYLASE/DNA
LYASE


(Sulfolobus
solfataricus)
PF00730
(HhH-GPD)
3 ARG A 116
ILE A 149
THR A 162
None
0.70A 3ia4D-3fhgA:
undetectable
3ia4D-3fhgA:
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.
3ga4 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE-PROTEI
N
GLYCOSYLTRANSFERASE
SUBUNIT OST6


(Saccharomyces
cerevisiae)
PF04756
(OST3_OST6)
3 ARG A  73
ILE A  40
THR A  44
None
0.67A 3ia4D-3ga4A:
undetectable
3ia4D-3ga4A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3geh TRNA MODIFICATION
GTPASE MNME


(Nostoc sp. PCC
7120)
PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical)
3 ARG A 246
ILE A 368
THR A 307
None
0.68A 3ia4D-3gehA:
undetectable
3ia4D-3gehA:
16.49
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.
3ifq E-CADHERIN
PLAKOGLOBIN


(Homo sapiens;
Mus musculus)
PF00514
(Arm)
PF01049
(Cadherin_C)
3 ARG C 714
ILE A 165
THR A 205
None
0.54A 3ia4D-3ifqC:
undetectable
3ia4D-3ifqC:
21.19
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.
3ig4 XAA-PRO
AMINOPEPTIDASE


(Bacillus
anthracis)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
3 ARG A 169
ILE A 179
THR A 187
None
0.65A 3ia4D-3ig4A:
undetectable
3ia4D-3ig4A:
15.46
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi)
PF00857
(Isochorismatase)
3 ARG A  88
ILE A 170
THR A 183
None
0.62A 3ia4D-3irvA:
undetectable
3ia4D-3irvA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jro FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145


(Saccharomyces
cerevisiae)
PF00400
(WD40)
PF12110
(Nup96)
3 ARG A1510
ILE A1516
THR A1523
None
0.55A 3ia4D-3jroA:
undetectable
3ia4D-3jroA:
13.21
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.
3jwo HIV-1 GP120 ENVELOPE
GLYCOPROTEIN


(Homo sapiens)
PF00516
(GP120)
3 ARG A 469
ILE A 359
THR A 399
None
None
NAG  A 897 ( 4.4A)
0.70A 3ia4D-3jwoA:
undetectable
3ia4D-3jwoA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4u BINDING COMPONENT OF
ABC TRANSPORTER


(Wolinella
succinogenes)
PF00497
(SBP_bac_3)
3 ARG A  79
ILE A  72
THR A 185
None
0.73A 3ia4D-3k4uA:
undetectable
3ia4D-3k4uA:
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.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE


(Bacteroides
thetaiotaomicron)
PF08543
(Phos_pyr_kin)
3 ARG A 171
ILE A 183
THR A 211
None
0.70A 3ia4D-3mbhA:
undetectable
3ia4D-3mbhA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER


(Shigella
flexneri)
PF03212
(Pertactin)
3 ARG A 719
ILE A 694
THR A 697
None
0.64A 3ia4D-3ml3A:
undetectable
3ia4D-3ml3A:
22.06
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN


(Sinorhizobium
meliloti)
PF00278
(Orn_DAP_Arg_deC)
3 ARG A  69
ILE A 340
THR A 356
None
0.58A 3ia4D-3mt1A:
undetectable
3ia4D-3mt1A:
17.81
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.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL


(Homo sapiens)
PF00005
(ABC_tran)
3 ARG A 634
ILE A 779
THR A 787
ATP  A   1 (-3.3A)
None
BME  A   3 ( 4.3A)
0.74A 3ia4D-3nh9A:
undetectable
3ia4D-3nh9A:
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.
3qu1 PEPTIDE DEFORMYLASE
2


(Vibrio cholerae)
PF01327
(Pep_deformylase)
3 ARG A 103
ILE A  61
THR A  41
None
0.67A 3ia4D-3qu1A:
undetectable
3ia4D-3qu1A:
26.23
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.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE


(Synechocystis
sp. PCC 6803)
PF03320
(FBPase_glpX)
3 ARG A  43
ILE A  94
THR A 289
None
0.40A 3ia4D-3rplA:
undetectable
3ia4D-3rplA:
19.15
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.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax)
PF03011
(PFEMP)
PF05424
(Duffy_binding)
3 ARG A 226
ILE A 322
THR A 251
None
0.74A 3ia4D-3rrcA:
undetectable
3ia4D-3rrcA:
19.54
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.
3tjr SHORT CHAIN
DEHYDROGENASE


(Mycobacterium
avium)
PF00106
(adh_short)
3 ARG A 203
ILE A 117
THR A 145
None
UNL  A 281 ( 3.8A)
UNL  A 281 ( 3.8A)
0.57A 3ia4D-3tjrA:
1.9
3ia4D-3tjrA:
18.94
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.
3tpa HEME-BINDING PROTEIN
A


(Glaesserella
parasuis)
PF00496
(SBP_bac_5)
3 ARG A 204
ILE A  14
THR A 231
None
0.74A 3ia4D-3tpaA:
undetectable
3ia4D-3tpaA:
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.
3uf0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR


(Beutenbergia
cavernae)
PF13561
(adh_short_C2)
3 ARG A 109
ILE A  94
THR A  15
None
NAP  A 274 (-4.9A)
None
0.65A 3ia4D-3uf0A:
undetectable
3ia4D-3uf0A:
19.64
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.
3wkh CELLOBIOSE
2-EPIMERASE


(Rhodothermus
marinus)
PF07221
(GlcNAc_2-epim)
3 ARG A 355
ILE A 399
THR A  80
None
0.70A 3ia4D-3wkhA:
undetectable
3ia4D-3wkhA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides)
PF00004
(AAA)
3 ARG A 144
ILE A 136
THR A  81
None
None
ADP  A1299 (-2.4A)
0.70A 3ia4D-3zuhA:
undetectable
3ia4D-3zuhA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0l CULLIN-4B

(Homo sapiens)
PF00888
(Cullin)
PF10557
(Cullin_Nedd8)
3 ARG E 369
ILE E 350
THR E 393
None
0.71A 3ia4D-4a0lE:
undetectable
3ia4D-4a0lE:
13.20
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I


(Anas
platyrhynchos)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2)
3 ARG A 756
ILE A 726
THR A 631
None
0.72A 3ia4D-4a2wA:
undetectable
3ia4D-4a2wA:
10.90
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.
4bji TRANSCRIPTION FACTOR
TAU SUBUNIT SFC1


(Schizosaccharomyces
pombe)
PF09734
(Tau95)
3 ARG A 364
ILE A 331
THR A 338
None
0.54A 3ia4D-4bjiA:
undetectable
3ia4D-4bjiA:
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2


(Neurospora
crassa)
PF00929
(RNase_T)
PF13423
(UCH_1)
3 ARG A 871
ILE A 947
THR A 895
None
0.72A 3ia4D-4czwA:
undetectable
3ia4D-4czwA:
13.77
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.
4dq8 ACETATE KINASE

(Mycobacterium
marinum)
PF00871
(Acetate_kinase)
3 ARG A 270
ILE A 320
THR A 371
None
0.69A 3ia4D-4dq8A:
undetectable
3ia4D-4dq8A:
18.16
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA


(Azotobacter
vinelandii)
PF00696
(AA_kinase)
3 ARG A 169
ILE A 188
THR A 214
None
0.72A 3ia4D-4f6tA:
undetectable
3ia4D-4f6tA:
23.39
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.
4fo7 METHIONINE
AMINOPEPTIDASE


(Pseudomonas
aeruginosa)
PF00557
(Peptidase_M24)
3 ARG A 250
ILE A  32
THR A 117
None
0.67A 3ia4D-4fo7A:
undetectable
3ia4D-4fo7A:
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.
4fq7 MALEATE CIS-TRANS
ISOMERASE


(Pseudomonas
putida)
no annotation 3 ARG A 126
ILE A 221
THR A 137
None
0.65A 3ia4D-4fq7A:
undetectable
3ia4D-4fq7A:
19.40
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594


(Pyrococcus
horikoshii)
PF00326
(Peptidase_S9)
PF07676
(PD40)
3 ARG B  65
ILE B  47
THR B 336
None
0.67A 3ia4D-4hxeB:
undetectable
3ia4D-4hxeB:
13.64
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA


(Streptococcus
pneumoniae)
PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c)
3 ARG A1353
ILE A1126
THR A1054
None
0.68A 3ia4D-4i3hA:
undetectable
3ia4D-4i3hA:
9.20
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT


(Rhodopseudomonas
palustris)
PF03480
(DctP)
3 ARG A 311
ILE A 114
THR A 123
None
0.56A 3ia4D-4oanA:
undetectable
3ia4D-4oanA:
21.02
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.
4oog RIBONUCLEASE 3

(Saccharomyces
cerevisiae)
PF00035
(dsrm)
PF00636
(Ribonuclease_3)
3 ARG C 405
ILE C 420
THR C 394
None
U  D   5 ( 3.6A)
None
0.67A 3ia4D-4oogC:
undetectable
3ia4D-4oogC:
22.73
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.
4opa NONSTRUCTURAL
PROTEIN 1


(Influenza A
virus)
no annotation 3 ARG B  19
ILE B  54
THR B  49
None
0.69A 3ia4D-4opaB:
undetectable
3ia4D-4opaB:
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
3 ARG A 296
ILE A 254
THR A 274
None
0.67A 3ia4D-4q8kA:
undetectable
3ia4D-4q8kA:
18.21
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN


(Yersinia pestis)
PF13407
(Peripla_BP_4)
3 ARG A 106
ILE A  90
THR A 127
None
0.70A 3ia4D-4rweA:
undetectable
3ia4D-4rweA:
19.33
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE


(Mycobacterium
tuberculosis)
PF00768
(Peptidase_S11)
3 ARG A 247
ILE A 254
THR A 231
None
0.67A 3ia4D-4ryeA:
undetectable
3ia4D-4ryeA:
21.15
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
3 ARG A 281
ILE A 448
THR A 365
None
0.67A 3ia4D-4w8jA:
undetectable
3ia4D-4w8jA:
9.32
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.
4x0q DNA POLYMERASE THETA

(Homo sapiens)
PF00476
(DNA_pol_A)
3 ARG A2315
ILE A2535
THR A2485
None
0.69A 3ia4D-4x0qA:
undetectable
3ia4D-4x0qA:
11.98
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.
4xdy KETOL-ACID
REDUCTOISOMERASE


(uncultured
archaeon
GZfos26G2)
PF01450
(IlvC)
PF07991
(IlvN)
3 ARG A 120
ILE A  83
THR A  47
None
None
NAI  A 403 ( 4.5A)
0.64A 3ia4D-4xdyA:
undetectable
3ia4D-4xdyA:
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.
4zn6 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE


(Acinetobacter
baumannii)
PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C)
3 ARG A  47
ILE A  15
THR A 119
None
0.67A 3ia4D-4zn6A:
undetectable
3ia4D-4zn6A:
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE


(Thermosynechococcus
elongatus)
PF03320
(FBPase_glpX)
3 ARG A  43
ILE A  94
THR A 290
None
0.42A 3ia4D-5a5lA:
undetectable
3ia4D-5a5lA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SERINE/THREONINE-PRO
TEIN PHOSPHATASE


(Coccidioides
immitis)
PF00149
(Metallophos)
PF00254
(FKBP_C)
3 ARG C  53
ILE C 109
THR A 369
MES  A 404 (-2.9A)
None
None
0.75A 3ia4D-5b8iC:
undetectable
3ia4D-5b8iC:
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.
5dm7 50S RIBOSOMAL
PROTEIN L5


(Deinococcus
radiodurans)
PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C)
3 ARG D 115
ILE D 132
THR D 149
None
0.57A 3ia4D-5dm7D:
undetectable
3ia4D-5dm7D:
23.89
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL


(Homo sapiens)
PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3)
3 ARG A1174
ILE A1192
THR A1270
None
0.71A 3ia4D-5dotA:
undetectable
3ia4D-5dotA:
7.75
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.
5ftx SURFACE LAYER
PROTEIN


(Geobacillus
stearothermophilus)
no annotation 3 ARG A1047
ILE A1039
THR A 948
None
0.69A 3ia4D-5ftxA:
undetectable
3ia4D-5ftxA:
12.50
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.
5fz5 TRANSCRIPTION
INITIATION FACTOR
IIB


(Saccharomyces
cerevisiae)
PF00382
(TFIIB)
PF08271
(TF_Zn_Ribbon)
3 ARG M 241
ILE M 282
THR M 308
None
0.53A 3ia4D-5fz5M:
undetectable
3ia4D-5fz5M:
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.
5kkr KINASE SUPPRESSOR OF
RAS 2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
3 ARG B 684
ILE B 738
THR B 802
None
None
6U7  B1001 (-3.6A)
0.68A 3ia4D-5kkrB:
undetectable
3ia4D-5kkrB:
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Francisella
tularensis)
PF00290
(Trp_syntA)
3 ARG A  90
ILE A  26
THR A 238
None
0.72A 3ia4D-5kzmA:
undetectable
3ia4D-5kzmA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)


(Agrobacterium
fabrum)
PF13416
(SBP_bac_8)
3 ARG A 234
ILE A 243
THR A 143
None
0.74A 3ia4D-5l9sA:
undetectable
3ia4D-5l9sA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
3 ARG A 672
ILE A 662
THR A 558
None
None
ACT  A2201 (-3.3A)
0.66A 3ia4D-5m59A:
undetectable
3ia4D-5m59A:
6.86
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.
5nws SAACMM

(Streptomyces
antibioticus)
no annotation 3 ARG A 128
ILE A 115
THR A  81
GOL  A 501 (-3.9A)
HEM  A 504 (-4.1A)
None
0.71A 3ia4D-5nwsA:
undetectable
3ia4D-5nwsA:
17.90
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30)
PF09995
(DUF2236)
3 ARG A 195
ILE A 275
THR A  45
None
0.47A 3ia4D-5o1mA:
undetectable
3ia4D-5o1mA:
18.49
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.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB


(Shigella
flexneri)
PF00006
(ATP-synt_ab)
3 ARG A 368
ILE A 327
THR A 299
None
0.73A 3ia4D-5swjA:
undetectable
3ia4D-5swjA:
18.66
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.
5t81 EPOB

(Sorangium
cellulosum)
PF00668
(Condensation)
3 ARG A 172
ILE A 203
THR A 352
None
0.66A 3ia4D-5t81A:
undetectable
3ia4D-5t81A:
14.13
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)


(Neisseria
gonorrhoeae)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 ARG A 321
ILE A 301
THR A 358
None
0.73A 3ia4D-5u25A:
undetectable
3ia4D-5u25A:
13.95
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.
5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN


(Homo sapiens)
PF16690
(MMACHC)
3 ARG A 214
ILE A 150
THR A 185
None
0.65A 3ia4D-5uosA:
undetectable
3ia4D-5uosA:
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36


(Bos taurus)
no annotation 3 ARG A 482
ILE A 523
THR A 542
None
0.73A 3ia4D-5vhaA:
undetectable
3ia4D-5vhaA:
16.77
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.
5vys GDP-MANNOSE
4,6-DEHYDRATASE /
GDP-4-AMINO-4,6-DIDE
OXY-D-MANNOSE
FORMYLTRANSFERASE


(Brucella
melitensis)
PF00551
(Formyl_trans_N)
3 ARG A  88
ILE A 169
THR A 131
GDP  A 303 (-3.0A)
None
None
0.67A 3ia4D-5vysA:
undetectable
3ia4D-5vysA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE


(Sphingobium sp.
SYK-6)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
3 ARG A 122
ILE A  26
THR A 430
DHB  A 502 (-3.7A)
None
None
0.68A 3ia4D-5x1nA:
undetectable
3ia4D-5x1nA:
18.75
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2


(Homo sapiens)
no annotation 3 ARG V 129
ILE i 277
THR i 156
None
PEE  V 202 (-4.6A)
None
0.75A 3ia4D-5xtcV:
undetectable
3ia4D-5xtcV:
18.12
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.
6a8m -

(-)
no annotation 3 ARG A 271
ILE A 261
THR A 214
None
0.65A 3ia4D-6a8mA:
undetectable
3ia4D-6a8mA:
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.
6byq TYROSINE--TRNA
LIGASE


(Helicobacter
pylori)
no annotation 3 ARG A  30
ILE A  12
THR A 273
None
0.74A 3ia4D-6byqA:
undetectable
3ia4D-6byqA:
23.87
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus)
no annotation 3 ARG A 220
ILE A 117
THR A 298
None
0.70A 3ia4D-6c93A:
undetectable
3ia4D-6c93A:
18.79