SIMILAR PATTERNS OF AMINO ACIDS FOR 4KT0_A_PQNA2001_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.
1agx GLUTAMINASE-ASPARAGI
NASE


(Acinetobacter
glutaminasificans)
PF00710
(Asparaginase)
5 GLY A 179
ALA A 159
GLY A 182
ILE A   6
LEU A  36
None
1.03A 4kt0A-1agxA:
undetectable
4kt0J-1agxA:
0.0
4kt0A-1agxA:
19.65
4kt0J-1agxA:
8.48
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE


(Pyrococcus
furiosus)
PF01314
(AFOR_C)
PF02730
(AFOR_N)
5 GLY A  68
ALA A  63
GLY A   3
ILE A 601
LEU A 599
None
0.93A 4kt0A-1aorA:
undetectable
4kt0J-1aorA:
undetectable
4kt0A-1aorA:
22.10
4kt0J-1aorA:
5.72
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.
1dlp LECTIN SCAFET
PRECURSOR


(Hyacinthoides
hispanica)
PF01453
(B_lectin)
5 SER A  81
GLY A  82
TRP A 233
GLY A  66
LEU A 147
None
1.06A 4kt0A-1dlpA:
undetectable
4kt0J-1dlpA:
undetectable
4kt0A-1dlpA:
15.85
4kt0J-1dlpA:
11.71
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE


(Medicago sativa)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 PHE A  50
GLY A 115
ALA A  93
GLY A 120
LEU A 145
None
1.09A 4kt0A-1fpqA:
undetectable
4kt0J-1fpqA:
0.0
4kt0A-1fpqA:
19.61
4kt0J-1fpqA:
6.18
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.
1iy1 ATP-DEPENDENT
METALLOPROTEASE FTSH


(Thermus
thermophilus)
PF00004
(AAA)
5 ALA A 310
LEU A 311
GLY A 261
ILE A 171
LEU A 175
None
0.95A 4kt0A-1iy1A:
0.0
4kt0J-1iy1A:
0.0
4kt0A-1iy1A:
17.49
4kt0J-1iy1A:
11.76
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.
1iy2 ATP-DEPENDENT
METALLOPROTEASE FTSH


(Thermus
thermophilus)
PF00004
(AAA)
5 ALA A 310
LEU A 311
GLY A 261
ILE A 171
LEU A 175
None
1.02A 4kt0A-1iy2A:
undetectable
4kt0J-1iy2A:
0.0
4kt0A-1iy2A:
19.32
4kt0J-1iy2A:
12.22
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE


(Escherichia
coli)
PF01380
(SIS)
5 SER A 362
LEU A 342
GLY A 369
ILE A 433
LEU A 437
None
1.05A 4kt0A-1morA:
undetectable
4kt0J-1morA:
undetectable
4kt0A-1morA:
18.92
4kt0J-1morA:
8.36
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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN


(Escherichia
coli)
PF00005
(ABC_tran)
5 MET A 648
GLY A 583
ALA A 617
LEU A 620
LEU A 533
None
1.04A 4kt0A-1mt0A:
undetectable
4kt0J-1mt0A:
0.0
4kt0A-1mt0A:
14.78
4kt0J-1mt0A:
9.54
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum)
PF01228
(Gly_radical)
PF02901
(PFL-like)
5 SER A 661
GLY A 653
ARG A 455
LEU A 651
GLY A 649
None
0.95A 4kt0A-1r8wA:
0.0
4kt0J-1r8wA:
undetectable
4kt0A-1r8wA:
21.64
4kt0J-1r8wA:
4.38
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT


(Pseudomonas
putida)
PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C)
5 SER A 138
GLY A 139
ALA C 104
ILE C  62
LEU C  69
None
1.08A 4kt0A-1t3qA:
undetectable
4kt0J-1t3qA:
undetectable
4kt0A-1t3qA:
12.08
4kt0J-1t3qA:
15.29
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 SER B 184
GLY B 185
LEU B 157
ILE A 356
LEU A 414
None
1.11A 4kt0A-1tqyB:
undetectable
4kt0J-1tqyB:
undetectable
4kt0A-1tqyB:
20.21
4kt0J-1tqyB:
6.51
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.
1v43 SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN


(Pyrococcus
horikoshii)
PF00005
(ABC_tran)
PF08402
(TOBE_2)
5 PHE A 331
GLY A 262
ARG A 263
GLY A 332
LEU A 321
None
0.99A 4kt0A-1v43A:
undetectable
4kt0J-1v43A:
undetectable
4kt0A-1v43A:
19.55
4kt0J-1v43A:
8.19
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli)
PF00291
(PALP)
PF14821
(Thr_synth_N)
5 SER A 134
GLY A 135
ALA A 105
ILE A  58
LEU A 262
KPA  A 500 (-3.1A)
KPA  A 500 ( 4.2A)
None
None
None
1.00A 4kt0A-1vb3A:
undetectable
4kt0J-1vb3A:
undetectable
4kt0A-1vb3A:
20.26
4kt0J-1vb3A:
8.18
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Enterococcus
faecalis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLY A1168
ARG A1166
ALA A1193
ILE A1260
LEU A1285
None
1.13A 4kt0A-1wueA:
undetectable
4kt0J-1wueA:
undetectable
4kt0A-1wueA:
18.44
4kt0J-1wueA:
6.58
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.
1wuu GALACTOKINASE

(Homo sapiens)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg)
5 GLY A 193
ALA A 383
LEU A  57
GLY A  36
ILE A 368
None
1.07A 4kt0A-1wuuA:
undetectable
4kt0J-1wuuA:
undetectable
4kt0A-1wuuA:
20.84
4kt0J-1wuuA:
8.45
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.
1zr5 H2AFY PROTEIN

(Homo sapiens)
PF01661
(Macro)
5 GLY A 235
ALA A 206
GLY A 263
ILE A 328
LEU A 288
None
0.87A 4kt0A-1zr5A:
undetectable
4kt0J-1zr5A:
undetectable
4kt0A-1zr5A:
14.88
4kt0J-1zr5A:
11.68
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.
2fym ENOLASE

(Escherichia
coli)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 MET A  93
GLY A 106
ALA A  36
LEU A 111
GLY A 346
None
1.12A 4kt0A-2fymA:
undetectable
4kt0J-2fymA:
undetectable
4kt0A-2fymA:
21.20
4kt0J-2fymA:
7.47
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM


(Oryctolagus
cuniculus)
PF00343
(Phosphorylase)
5 GLY A 135
ARG A 138
ALA A 141
GLY A 132
LEU A 198
PLR  A 940 ( 3.8A)
None
None
None
None
1.06A 4kt0A-2gj4A:
undetectable
4kt0J-2gj4A:
undetectable
4kt0A-2gj4A:
22.56
4kt0J-2gj4A:
4.56
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY


(Streptococcus
pneumoniae)
PF01408
(GFO_IDH_MocA)
5 GLY A 211
ALA A 148
GLY A 179
ILE A 270
LEU A 268
None
1.13A 4kt0A-2ho5A:
undetectable
4kt0J-2ho5A:
undetectable
4kt0A-2ho5A:
18.81
4kt0J-2ho5A:
12.84
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE


(Escherichia
coli)
PF01380
(SIS)
PF13522
(GATase_6)
5 SER A 362
LEU A 342
GLY A 369
ILE A 433
LEU A 437
None
1.02A 4kt0A-2j6hA:
undetectable
4kt0J-2j6hA:
undetectable
4kt0A-2j6hA:
21.81
4kt0J-2j6hA:
7.08
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE


(Neurospora
crassa)
PF05183
(RdRP)
5 GLY A 712
ALA A 924
GLY A 710
ILE A 971
LEU A 798
None
1.07A 4kt0A-2j7nA:
undetectable
4kt0J-2j7nA:
undetectable
4kt0A-2j7nA:
21.15
4kt0J-2j7nA:
4.14
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis)
PF03401
(TctC)
5 SER A 112
ALA A 123
LEU A 120
ILE A 296
LEU A 298
None
1.09A 4kt0A-2qpqA:
undetectable
4kt0J-2qpqA:
undetectable
4kt0A-2qpqA:
16.95
4kt0J-2qpqA:
6.98
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE


(unidentified
phage)
PF09251
(PhageP22-tail)
5 GLY A 656
TRP A 635
ALA A 634
LEU A 625
GLY A 627
None
1.09A 4kt0A-2v5iA:
undetectable
4kt0J-2v5iA:
undetectable
4kt0A-2v5iA:
22.37
4kt0J-2v5iA:
5.66
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN


(Homo sapiens)
PF00194
(Carb_anhydrase)
5 GLY A 107
LEU A 104
GLY A 101
ILE A  52
LEU A 280
None
1.12A 4kt0A-2w2jA:
undetectable
4kt0J-2w2jA:
undetectable
4kt0A-2w2jA:
18.03
4kt0J-2w2jA:
9.42
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE


(Amycolatopsis
orientalis)
PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N)
5 SER A 756
GLY A 757
LEU A 700
GLY A 699
LEU A 356
None
1.12A 4kt0A-2x05A:
undetectable
4kt0J-2x05A:
undetectable
4kt0A-2x05A:
21.42
4kt0J-2x05A:
2.97
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.
2xly CLOQ

(Streptomyces
roseochromogenus)
PF11468
(PTase_Orf2)
5 MET A 210
GLY A 301
GLY A 304
ILE A 134
LEU A 135
None
1.13A 4kt0A-2xlyA:
undetectable
4kt0J-2xlyA:
undetectable
4kt0A-2xlyA:
19.36
4kt0J-2xlyA:
11.07
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE


(Streptococcus
pneumoniae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD)
5 PHE A 837
GLY A 808
LEU A 805
ILE A 700
LEU A 622
None
1.12A 4kt0A-2ya1A:
undetectable
4kt0J-2ya1A:
undetectable
4kt0A-2ya1A:
21.26
4kt0J-2ya1A:
3.69
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE


(Thermus
thermophilus)
PF00106
(adh_short)
5 GLY A  10
ARG A  31
ALA A  34
LEU A  35
GLY A  29
NAP  A 500 (-3.2A)
NAP  A 500 (-4.8A)
None
None
NAP  A 500 ( 4.1A)
1.08A 4kt0A-2yutA:
undetectable
4kt0J-2yutA:
undetectable
4kt0A-2yutA:
14.38
4kt0J-2yutA:
11.50
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE


(Thermotoga
maritima)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
5 GLY A 205
ALA A 200
GLY A 175
ILE A 184
LEU A 224
None
1.11A 4kt0A-2yxxA:
undetectable
4kt0J-2yxxA:
undetectable
4kt0A-2yxxA:
18.75
4kt0J-2yxxA:
8.39
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
5 GLY A 496
ALA A 531
GLY A 511
ILE A 614
LEU A 609
CA  A 623 (-4.4A)
None
CA  A 623 (-4.2A)
None
None
0.94A 4kt0A-2z8zA:
undetectable
4kt0J-2z8zA:
undetectable
4kt0A-2z8zA:
23.45
4kt0J-2z8zA:
5.39
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus)
PF00067
(p450)
5 GLY A 217
ALA A 238
LEU A 163
GLY A 164
LEU A 285
None
1.13A 4kt0A-2zbzA:
undetectable
4kt0J-2zbzA:
undetectable
4kt0A-2zbzA:
20.92
4kt0J-2zbzA:
7.04
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.
2zds PUTATIVE DNA-BINDING
PROTEIN


(Streptomyces
coelicolor)
PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N)
5 PHE A 204
GLY A 199
LEU A 165
ILE A  95
LEU A  91
None
1.13A 4kt0A-2zdsA:
undetectable
4kt0J-2zdsA:
undetectable
4kt0A-2zdsA:
20.28
4kt0J-2zdsA:
7.65
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.
3act CELLOBIOSE
PHOSPHORYLASE


(Cellulomonas
gilvus)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
5 PHE A 664
GLY A 661
ALA A 715
ILE A  25
LEU A  36
BGC  A2901 (-4.7A)
None
None
None
None
1.05A 4kt0A-3actA:
2.4
4kt0J-3actA:
undetectable
4kt0A-3actA:
21.08
4kt0J-3actA:
4.29
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE


(Bifidobacterium
breve)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
5 GLY A 181
ALA A 160
GLY A  96
ILE A 598
LEU A 562
HTL  A 827 (-3.3A)
None
None
None
None
0.98A 4kt0A-3ahiA:
undetectable
4kt0J-3ahiA:
undetectable
4kt0A-3ahiA:
21.94
4kt0J-3ahiA:
4.06
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE


(Bifidobacterium
longum)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
5 GLY A 181
ALA A 160
GLY A  96
ILE A 598
LEU A 562
TPP  A 900 (-3.2A)
None
None
None
None
0.95A 4kt0A-3ai7A:
undetectable
4kt0J-3ai7A:
undetectable
4kt0A-3ai7A:
21.06
4kt0J-3ai7A:
3.89
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD


(Bacillus
anthracis)
no annotation 5 GLY S 424
ALA S 515
GLY S 426
ILE S 471
LEU S 473
None
1.09A 4kt0A-3g9kS:
undetectable
4kt0J-3g9kS:
undetectable
4kt0A-3g9kS:
11.98
4kt0J-3g9kS:
10.73
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.
3gxo MMCR

(Streptomyces
lavendulae)
PF00891
(Methyltransf_2)
5 MET A 163
ALA A 171
GLY A 194
ILE A 346
LEU A 323
SAH  A 350 ( 3.7A)
None
None
None
None
1.11A 4kt0A-3gxoA:
undetectable
4kt0J-3gxoA:
undetectable
4kt0A-3gxoA:
19.15
4kt0J-3gxoA:
7.04
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.
3i83 2-DEHYDROPANTOATE
2-REDUCTASE


(Methylococcus
capsulatus)
PF02558
(ApbA)
PF08546
(ApbA_C)
5 SER A 156
ALA A 163
LEU A 148
GLY A 149
ILE A 138
None
1.06A 4kt0A-3i83A:
undetectable
4kt0J-3i83A:
undetectable
4kt0A-3i83A:
18.65
4kt0J-3i83A:
8.12
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Staphylococcus
aureus)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 PHE A 298
GLY A 186
LEU A 190
GLY A 300
ILE A  33
None
1.12A 4kt0A-3il7A:
undetectable
4kt0J-3il7A:
undetectable
4kt0A-3il7A:
18.93
4kt0J-3il7A:
11.39
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN


(Bacillus
thuringiensis)
PF00091
(Tubulin)
5 GLY A 140
ALA A  30
GLY A 146
ILE A  23
LEU A 270
GDP  A 900 (-4.2A)
None
None
None
None
0.95A 4kt0A-3j4sA:
undetectable
4kt0J-3j4sA:
undetectable
4kt0A-3j4sA:
20.16
4kt0J-3j4sA:
6.73
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE


(Paenarthrobacter
nicotinovorans)
PF01593
(Amino_oxidase)
5 ARG A 274
ALA A 268
LEU A 269
ILE A 422
LEU A  20
None
0.94A 4kt0A-3k7tA:
undetectable
4kt0J-3k7tA:
undetectable
4kt0A-3k7tA:
18.73
4kt0J-3k7tA:
7.06
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.
3kg9 CURK

(Lyngbya
majuscula)
PF14765
(PS-DH)
5 SER A 983
GLY A 967
ALA A1015
ILE A1222
LEU A1175
None
1.09A 4kt0A-3kg9A:
undetectable
4kt0J-3kg9A:
undetectable
4kt0A-3kg9A:
18.50
4kt0J-3kg9A:
8.45
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.
3lmm UNCHARACTERIZED
PROTEIN


(Corynebacterium
diphtheriae)
PF04326
(AlbA_2)
PF13749
(HATPase_c_4)
5 GLY A 214
ARG A 161
ALA A 365
LEU A 362
ILE A 320
None
None
None
CL  A 585 ( 3.8A)
None
1.08A 4kt0A-3lmmA:
undetectable
4kt0J-3lmmA:
undetectable
4kt0A-3lmmA:
22.31
4kt0J-3lmmA:
5.38
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.
3mos TRANSKETOLASE

(Homo sapiens)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 MET A 436
PHE A 437
SER A 439
ALA A 404
ILE A 360
None
1.01A 4kt0A-3mosA:
undetectable
4kt0J-3mosA:
undetectable
4kt0A-3mosA:
21.10
4kt0J-3mosA:
6.00
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE


(Streptomyces
avermitilis)
PF00795
(CN_hydrolase)
PF02540
(NAD_synthase)
5 GLY A 220
ALA A 187
GLY A 229
ILE A 156
LEU A 151
None
1.07A 4kt0A-3n05A:
undetectable
4kt0J-3n05A:
undetectable
4kt0A-3n05A:
20.93
4kt0J-3n05A:
4.92
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803)
PF00654
(Voltage_CLC)
5 GLY A  43
ALA A 182
GLY A 151
ILE A 436
LEU A 268
None
1.11A 4kt0A-3nd0A:
undetectable
4kt0J-3nd0A:
undetectable
4kt0A-3nd0A:
23.64
4kt0J-3nd0A:
6.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA


(Escherichia
coli)
PF00873
(ACR_tran)
5 ALA A1013
LEU A 995
GLY A 994
ILE A 883
LEU A 886
None
1.07A 4kt0A-3ne5A:
undetectable
4kt0J-3ne5A:
undetectable
4kt0A-3ne5A:
22.35
4kt0J-3ne5A:
3.76
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.
3o6u UNCHARACTERIZED
PROTEIN CPE2226


(Clostridium
perfringens)
PF04205
(FMN_bind)
5 SER A  89
GLY A  90
GLY A  92
ILE A  59
LEU A 133
None
0.99A 4kt0A-3o6uA:
undetectable
4kt0J-3o6uA:
undetectable
4kt0A-3o6uA:
11.25
4kt0J-3o6uA:
16.00
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.
3qha PUTATIVE
OXIDOREDUCTASE


(Mycobacterium
avium)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
5 GLY A  54
ALA A  27
GLY A  36
ILE A 122
LEU A 115
None
1.03A 4kt0A-3qhaA:
undetectable
4kt0J-3qhaA:
undetectable
4kt0A-3qhaA:
18.41
4kt0J-3qhaA:
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426


(Clostridium
perfringens)
PF06824
(Glyco_hydro_125)
5 PHE A 395
GLY A 347
ALA A 360
GLY A 394
ILE A  23
None
1.13A 4kt0A-3qt3A:
undetectable
4kt0J-3qt3A:
undetectable
4kt0A-3qt3A:
20.16
4kt0J-3qt3A:
8.25
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N


(Escherichia
coli)
no annotation 5 GLY N 394
LEU N 330
GLY N 327
ILE N 132
LEU N 170
None
1.07A 4kt0A-3rkoN:
undetectable
4kt0J-3rkoN:
undetectable
4kt0A-3rkoN:
23.62
4kt0J-3rkoN:
6.63
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.
3s8d COENZYME A
TRANSFERASE


(Yersinia pestis)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
5 SER A 299
GLY A 174
GLY A 145
ILE A  21
LEU A  55
None
0.93A 4kt0A-3s8dA:
undetectable
4kt0J-3s8dA:
undetectable
4kt0A-3s8dA:
20.21
4kt0J-3s8dA:
6.15
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.
3se5 CELL FILAMENTATION
PROTEIN FIC-RELATED
PROTEIN


(Neisseria
meningitidis)
PF02661
(Fic)
5 PHE A  26
SER A  28
GLY A  29
ILE A  97
LEU A 157
None
1.09A 4kt0A-3se5A:
undetectable
4kt0J-3se5A:
undetectable
4kt0A-3se5A:
11.33
4kt0J-3se5A:
13.29
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.
3sng NUCLEASE

(Solanum
lycopersicum)
PF02265
(S1-P1_nuclease)
5 MET A  33
GLY A 279
ARG A 281
GLY A 150
LEU A 171
None
1.10A 4kt0A-3sngA:
undetectable
4kt0J-3sngA:
undetectable
4kt0A-3sngA:
18.09
4kt0J-3sngA:
10.38
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Corynebacterium
glutamicum)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
5 GLY A 291
ALA A 266
LEU A 179
GLY A 289
ILE A 209
None
1.11A 4kt0A-3tx8A:
undetectable
4kt0J-3tx8A:
undetectable
4kt0A-3tx8A:
19.53
4kt0J-3tx8A:
9.27
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.
3wiq KOJIBIOSE
PHOSPHORYLASE


(Caldicellulosiruptor
saccharolyticus)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
5 GLY A 334
ALA A  26
GLY A  48
ILE A 120
LEU A 110
None
1.01A 4kt0A-3wiqA:
undetectable
4kt0J-3wiqA:
undetectable
4kt0A-3wiqA:
20.05
4kt0J-3wiqA:
4.32
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima)
PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
5 GLY A 478
LEU A 480
GLY A 579
ILE A 510
LEU A 498
None
1.00A 4kt0A-4ddwA:
undetectable
4kt0J-4ddwA:
undetectable
4kt0A-4ddwA:
19.45
4kt0J-4ddwA:
3.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES


(Ruminococcus
flavefaciens)
no annotation 5 MET A 181
SER A 184
GLY A 185
GLY A 223
LEU A 107
None
1.09A 4kt0A-4eyzA:
undetectable
4kt0J-4eyzA:
undetectable
4kt0A-4eyzA:
15.33
4kt0J-4eyzA:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E


(Streptomyces
lasaliensis)
PF02353
(CMAS)
5 PHE A 127
GLY A 106
ALA A 175
LEU A 109
LEU A 257
None
1.12A 4kt0A-4f85A:
undetectable
4kt0J-4f85A:
undetectable
4kt0A-4f85A:
18.47
4kt0J-4f85A:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE


(Escherichia
coli)
PF00378
(ECH_1)
5 MET A 156
GLY A 105
ALA A 111
LEU A 112
GLY A 140
None
1.00A 4kt0A-4fzwA:
undetectable
4kt0J-4fzwA:
undetectable
4kt0A-4fzwA:
15.95
4kt0J-4fzwA:
9.09
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.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR


(Homo sapiens)
PF00079
(Serpin)
5 GLY A  48
ARG A  47
LEU A 304
ILE A 132
LEU A 148
None
0.99A 4kt0A-4ga7A:
undetectable
4kt0J-4ga7A:
undetectable
4kt0A-4ga7A:
19.92
4kt0J-4ga7A:
7.97
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana)
PF03098
(An_peroxidase)
5 PHE A 112
SER A 110
GLY A 113
ILE A 551
LEU A 451
None
1.07A 4kt0A-4hhrA:
undetectable
4kt0J-4hhrA:
undetectable
4kt0A-4hhrA:
20.82
4kt0J-4hhrA:
5.08
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.
4kw7 ARSENIC
METHYLTRANSFERASE


(Cyanidioschyzon
sp. 5508)
PF13847
(Methyltransf_31)
5 SER A  53
ALA A  78
LEU A  82
ILE A 189
LEU A 185
None
1.12A 4kt0A-4kw7A:
undetectable
4kt0J-4kw7A:
undetectable
4kt0A-4kw7A:
19.45
4kt0J-4kw7A:
8.22
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.
4kys THIAMINE
PYRIDINYLASE I


(Clostridium
botulinum)
PF01547
(SBP_bac_1)
5 GLY A 238
LEU A 185
GLY A 184
ILE A 372
LEU A 369
None
1.02A 4kt0A-4kysA:
undetectable
4kt0J-4kysA:
undetectable
4kt0A-4kysA:
18.64
4kt0J-4kysA:
8.01
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas)
PF00104
(Hormone_recep)
5 MET A 407
SER A 410
ALA A 255
LEU A 256
LEU A 465
None
1.06A 4kt0A-4n1yA:
undetectable
4kt0J-4n1yA:
undetectable
4kt0A-4n1yA:
14.30
4kt0J-4n1yA:
10.21
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.
4ntd THIOREDOXIN
REDUCTASE


(Streptomyces
clavuligerus)
PF07992
(Pyr_redox_2)
5 SER A 286
GLY A 274
LEU A 119
GLY A 118
LEU A 208
FAD  A 402 (-3.4A)
FAD  A 402 (-3.3A)
None
FAD  A 402 ( 3.7A)
None
0.99A 4kt0A-4ntdA:
undetectable
4kt0J-4ntdA:
undetectable
4kt0A-4ntdA:
18.36
4kt0J-4ntdA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS


(Homo sapiens)
PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N)
5 ARG A 194
TRP A 197
LEU A 193
ILE A 313
LEU A 460
None
1.04A 4kt0A-4pj3A:
undetectable
4kt0J-4pj3A:
undetectable
4kt0A-4pj3A:
17.92
4kt0J-4pj3A:
2.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Pisum sativum)
PF00223
(PsaA_PsaB)
9 MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
0.27A 4kt0A-4rkuA:
45.6
4kt0J-4rkuA:
undetectable
4kt0A-4rkuA:
81.00
4kt0J-4rkuA:
6.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Pisum sativum)
PF00223
(PsaA_PsaB)
7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
0.54A 4kt0A-4rkuB:
34.9
4kt0J-4rkuB:
undetectable
4kt0A-4rkuB:
42.75
4kt0J-4rkuB:
4.68
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.
4uie SURFACE LAYER
PROTEIN


(Geobacillus
stearothermophilus)
no annotation 5 GLY A 780
ALA A 784
LEU A 783
GLY A 848
ILE A 869
None
1.11A 4kt0A-4uieA:
undetectable
4kt0J-4uieA:
undetectable
4kt0A-4uieA:
18.87
4kt0J-4uieA:
7.12
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Pseudomonas
aeruginosa)
PF01425
(Amidase)
5 SER A 153
GLY A 151
GLY A 175
ILE A 259
LEU A 257
None
0.83A 4kt0A-4wj3A:
undetectable
4kt0J-4wj3A:
undetectable
4kt0A-4wj3A:
22.05
4kt0J-4wj3A:
6.65
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 PHE A 108
LEU A 259
GLY A 260
ILE A  35
LEU A  94
None
FAD  A 501 (-4.4A)
None
None
None
0.99A 4kt0A-4ywoA:
undetectable
4kt0J-4ywoA:
undetectable
4kt0A-4ywoA:
20.57
4kt0J-4ywoA:
6.06
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.
4zhj MG-CHELATASE SUBUNIT
CHLH


(Synechocystis
sp. PCC 6803)
PF02514
(CobN-Mg_chel)
PF11965
(DUF3479)
5 GLY A  19
ARG A  20
ALA A  53
LEU A  52
ILE A 112
None
0.94A 4kt0A-4zhjA:
undetectable
4kt0J-4zhjA:
undetectable
4kt0A-4zhjA:
20.12
4kt0J-4zhjA:
2.68
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.
5aor DOSAGE COMPENSATION
REGULATOR


(Drosophila
melanogaster)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind)
5 PHE A 475
GLY A 462
ALA A 481
ILE A 326
LEU A 812
None
1.08A 4kt0A-5aorA:
undetectable
4kt0J-5aorA:
undetectable
4kt0A-5aorA:
19.22
4kt0J-5aorA:
3.23
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.
5bpv POLYMERASE COFACTOR
VP35


(Zaire
ebolavirus)
PF02097
(Filo_VP35)
5 PHE A 328
ARG A 312
GLY A 337
ILE A 259
LEU A 256
None
1.00A 4kt0A-5bpvA:
undetectable
4kt0J-5bpvA:
undetectable
4kt0A-5bpvA:
10.97
4kt0J-5bpvA:
11.90
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Desulfohalobium
retbaense)
PF13458
(Peripla_BP_6)
5 GLY A 392
ARG A 391
LEU A 390
GLY A 389
LEU A 581
None
1.08A 4kt0A-5ereA:
undetectable
4kt0J-5ereA:
undetectable
4kt0A-5ereA:
22.61
4kt0J-5ereA:
6.35
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.
5ez3 ACYL-COA
DEHYDROGENASE


(Brucella
melitensis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
5 GLY A 321
ARG A 319
GLY A 316
ILE A 462
LEU A 477
None
1.12A 4kt0A-5ez3A:
undetectable
4kt0J-5ez3A:
undetectable
4kt0A-5ez3A:
22.36
4kt0J-5ez3A:
4.90
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.
5ftx SURFACE LAYER
PROTEIN


(Geobacillus
stearothermophilus)
no annotation 5 GLY A 780
ALA A 784
LEU A 783
GLY A 848
ILE A 869
None
1.04A 4kt0A-5ftxA:
undetectable
4kt0J-5ftxA:
undetectable
4kt0A-5ftxA:
23.35
4kt0J-5ftxA:
3.73
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN


(Exiguobacterium
antarcticum)
PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4)
5 MET A  36
PHE A  37
LEU A 262
ILE A 235
LEU A 205
None
1.09A 4kt0A-5h3hA:
undetectable
4kt0J-5h3hA:
undetectable
4kt0A-5h3hA:
15.92
4kt0J-5h3hA:
15.88
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3


(Saccharomyces
cerevisiae)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
5 SER C 109
LEU C 147
GLY C 105
ILE C  46
LEU C  72
None
0.97A 4kt0A-5ip7C:
undetectable
4kt0J-5ip7C:
undetectable
4kt0A-5ip7C:
16.11
4kt0J-5ip7C:
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Streptomyces
sp. ML694-90F3)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 PHE A 191
SER A 374
ALA A 343
GLY A 194
LEU A 301
None
None
CL  A 602 (-4.0A)
None
None
0.96A 4kt0A-5jjqA:
undetectable
4kt0J-5jjqA:
undetectable
4kt0A-5jjqA:
23.00
4kt0J-5jjqA:
8.49
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.
5kku POLYKETIDE SYNTHASE
TYPE I


(Bacillus
amyloliquefaciens)
PF14765
(PS-DH)
5 SER A 205
GLY A 204
LEU A 279
ILE A  91
LEU A  76
None
1.01A 4kt0A-5kkuA:
undetectable
4kt0J-5kkuA:
undetectable
4kt0A-5kkuA:
16.93
4kt0J-5kkuA:
9.33
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1


(Homo sapiens)
PF12859
(ANAPC1)
5 GLY A1083
ALA A1142
LEU A1145
ILE A1193
LEU A1227
None
1.07A 4kt0A-5lcwA:
undetectable
4kt0J-5lcwA:
undetectable
4kt0A-5lcwA:
17.21
4kt0J-5lcwA:
2.07
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.
5m86 TA1207

(Thermoplasma
acidophilum)
no annotation 5 PHE A  13
GLY A 159
GLY A  11
ILE A 227
LEU A 228
None
1.08A 4kt0A-5m86A:
undetectable
4kt0J-5m86A:
undetectable
4kt0A-5m86A:
17.68
4kt0J-5m86A:
9.01
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.
5mlg RENIN

(Rattus
norvegicus)
no annotation 5 PHE A  40
SER A 128
GLY A 129
ILE A 243
LEU A 313
None
1.01A 4kt0A-5mlgA:
undetectable
4kt0J-5mlgA:
undetectable
4kt0A-5mlgA:
7.46
4kt0J-5mlgA:
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.
5oaf RUVB-LIKE 1

(Homo sapiens)
no annotation 5 GLY A  23
ALA A  78
LEU A  79
ILE A 350
LEU A 354
None
ADP  A 501 (-3.6A)
None
None
None
1.03A 4kt0A-5oafA:
undetectable
4kt0J-5oafA:
undetectable
4kt0A-5oafA:
7.79
4kt0J-5oafA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Synechocystis
sp. PCC 6803)
no annotation 9 MET 1 684
PHE 1 685
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 4.3A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
0.40A 4kt0A-5oy01:
46.6
4kt0J-5oy01:
undetectable
4kt0A-5oy01:
100.00
4kt0J-5oy01:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
0.61A 4kt0A-5oy0b:
34.4
4kt0J-5oy0b:
undetectable
4kt0A-5oy0b:
7.36
4kt0J-5oy0b:
16.25
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.
5v8k P800 REACTION CENTER
CORE PROTEIN


(Heliobacterium
modesticaldum)
PF00223
(PsaA_PsaB)
5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
1.01A 4kt0A-5v8kA:
23.0
4kt0J-5v8kA:
1.2
4kt0A-5v8kA:
25.70
4kt0J-5v8kA:
10.92
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Danio rerio)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
5 GLY A  27
LEU A1048
GLY A1045
ILE A 155
LEU A  49
None
1.09A 4kt0A-5w81A:
2.0
4kt0J-5w81A:
undetectable
4kt0A-5w81A:
19.17
4kt0J-5w81A:
3.09
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.
6b4o GLUTATHIONE
REDUCTASE


(Enterococcus
faecalis)
no annotation 5 PHE A 116
LEU A 269
GLY A 270
ILE A  37
LEU A 102
None
1.05A 4kt0A-6b4oA:
undetectable
4kt0J-6b4oA:
undetectable
4kt0A-6b4oA:
20.87
4kt0J-6b4oA:
6.97
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D


(Pyrococcus
furiosus)
no annotation 5 PHE F 117
LEU F 118
GLY F 116
ILE G  74
LEU H 194
None
1.08A 4kt0A-6cfwF:
undetectable
4kt0J-6cfwF:
undetectable
4kt0A-6cfwF:
7.33
4kt0J-6cfwF:
17.72
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii)
no annotation 5 PHE A 120
GLY A 118
GLY A  75
ILE A 286
LEU A 104
None
1.12A 4kt0A-6d0pA:
undetectable
4kt0J-6d0pA:
undetectable
4kt0A-6d0pA:
7.77
4kt0J-6d0pA:
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.
6d6y APRA
METHYLTRANSFERASE 2


(Moorea
bouillonii)
no annotation 5 PHE A 797
GLY A 842
GLY A 795
ILE A 773
LEU A 774
None
SAH  A1102 ( 4.9A)
None
None
None
1.06A 4kt0A-6d6yA:
2.2
4kt0J-6d6yA:
undetectable
4kt0A-6d6yA:
7.88
4kt0J-6d6yA:
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.
6fg8 PROBABLE INACTIVE
RECEPTOR KINASE
AT1G27190


(Arabidopsis
thaliana)
no annotation 5 GLY B 193
ALA B 177
LEU B 176
ILE B  88
LEU B  92
None
1.03A 4kt0A-6fg8B:
undetectable
4kt0J-6fg8B:
undetectable
4kt0A-6fg8B:
7.32
4kt0J-6fg8B:
17.50
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.
6fg8 PROBABLE INACTIVE
RECEPTOR KINASE
AT1G27190


(Arabidopsis
thaliana)
no annotation 5 GLY B 194
ALA B 177
LEU B 176
ILE B  88
LEU B  92
None
1.00A 4kt0A-6fg8B:
undetectable
4kt0J-6fg8B:
undetectable
4kt0A-6fg8B:
7.32
4kt0J-6fg8B:
17.50
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)


(Homo sapiens)
no annotation 5 SER A 830
GLY A 829
LEU A 783
GLY A 780
LEU A 257
None
1.14A 4kt0A-6fn1A:
3.4
4kt0J-6fn1A:
1.5
4kt0A-6fn1A:
8.85
4kt0J-6fn1A:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Cyanidioschyzon
merolae)
no annotation 8 MET A 681
PHE A 682
SER A 685
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
0.88A 4kt0A-6fosA:
46.8
4kt0J-6fosA:
1.4
4kt0A-6fosA:
69.23
4kt0J-6fosA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX


(Cyanidioschyzon
merolae)
no annotation 9 MET A 681
PHE A 682
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
LEU J  18
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
None
0.82A 4kt0A-6fosA:
46.8
4kt0J-6fosA:
1.4
4kt0A-6fosA:
69.23
4kt0J-6fosA:
17.50
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Cyanidioschyzon
merolae)
no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
0.89A 4kt0A-6fosB:
27.3
4kt0J-6fosB:
undetectable
4kt0A-6fosB:
19.42
4kt0J-6fosB:
14.81