SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP6_B_SALB3004

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.
1eoq GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 ILE A 201
PHE A 164
ASP A 166
GLU A 162
 None
 1.13A 3kp6A-1eoqA:
undetectable
3kp6B-1eoqA:
0.0		 3kp6A-1eoqA:
23.13
3kp6B-1eoqA:
23.13
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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE

(Homo sapiens) 		PF04209
(HgmA) 		4 ILE A 133
PHE A 400
ASP A 314
GLU A 401
 None
 1.18A 3kp6A-1ey2A:
undetectable
3kp6B-1ey2A:
undetectable		 3kp6A-1ey2A:
16.13
3kp6B-1ey2A:
16.13
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		4 ILE A 389
PHE A 377
ASP A 379
GLU A 378
 None
 1.01A 3kp6A-1gz4A:
1.1
3kp6B-1gz4A:
1.3		 3kp6A-1gz4A:
15.19
3kp6B-1gz4A:
15.19
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.
1je5 HELIX-DESTABILIZING
PROTEIN

(Escherichia
virus T7) 		no annotation 4 ILE A  44
PHE A 106
ASP A  41
GLU A  14
 None
 1.17A 3kp6A-1je5A:
undetectable
3kp6B-1je5A:
0.0		 3kp6A-1je5A:
19.52
3kp6B-1je5A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kzl RIBOFLAVIN SYNTHASE

(Schizosaccharomyces
pombe) 		PF00677
(Lum_binding) 		4 LYS A 113
ILE A 159
PHE A 123
GLU A 111
 None
 1.09A 3kp6A-1kzlA:
undetectable
3kp6B-1kzlA:
0.0		 3kp6A-1kzlA:
27.67
3kp6B-1kzlA:
27.67
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.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LYS A 527
ILE A 494
PHE A 481
GLU A 523
 None
 1.08A 3kp6A-1mu2A:
0.0
3kp6B-1mu2A:
0.0		 3kp6A-1mu2A:
15.64
3kp6B-1mu2A:
15.64
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 ILE A 607
PHE A 382
ASP A 630
GLU A 629
 None
 1.10A 3kp6A-1n7dA:
undetectable
3kp6B-1n7dA:
0.0		 3kp6A-1n7dA:
12.88
3kp6B-1n7dA:
12.88
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.
1rhx CONSERVED
HYPOTHETICAL PROTEIN
TM0979

(Thermotoga
maritima) 		PF04077
(DsrH) 		4 ILE A  86
PHE A  75
ASP A  77
GLU A  80
 None
 1.07A 3kp6A-1rhxA:
undetectable
3kp6B-1rhxA:
undetectable		 3kp6A-1rhxA:
20.26
3kp6B-1rhxA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Helicobacter
pylori) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ILE A 409
PHE A 367
ASP A 373
GLU A 420
 None
 1.13A 3kp6A-1um8A:
0.0
3kp6B-1um8A:
0.0		 3kp6A-1um8A:
19.15
3kp6B-1um8A:
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.
1vjz ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		4 ILE A  67
PHE A  63
ASP A  62
GLU A  61
 None
 0.98A 3kp6A-1vjzA:
undetectable
3kp6B-1vjzA:
0.0		 3kp6A-1vjzA:
19.39
3kp6B-1vjzA:
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.
2be9 ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Sulfolobus
acidocaldarius) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		4 ILE B  38
PHE B  44
ASP B  67
GLU B  66
 None
 1.15A 3kp6A-2be9B:
0.0
3kp6B-2be9B:
undetectable		 3kp6A-2be9B:
25.29
3kp6B-2be9B:
25.29
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.
2c0n A197

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 ILE A 123
PHE A 154
ASP A 151
GLU A 150
 None
 1.12A 3kp6A-2c0nA:
0.0
3kp6B-2c0nA:
undetectable		 3kp6A-2c0nA:
21.27
3kp6B-2c0nA:
21.27
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.
2csg PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07350
(DUF1479) 		4 LYS A  91
ILE A 328
ASP A 268
GLU A 332
 None
 0.88A 3kp6A-2csgA:
0.0
3kp6B-2csgA:
undetectable		 3kp6A-2csgA:
14.22
3kp6B-2csgA:
14.22
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 ILE A 471
PHE A 484
ASP A 481
GLU A 482
 None
 1.15A 3kp6A-2d3iA:
0.0
3kp6B-2d3iA:
undetectable		 3kp6A-2d3iA:
12.01
3kp6B-2d3iA:
12.01
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.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		4 ILE A 166
PHE A 181
ASP A 180
GLU A 183
 None
 1.15A 3kp6A-2d5rA:
0.0
3kp6B-2d5rA:
undetectable		 3kp6A-2d5rA:
21.74
3kp6B-2d5rA:
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ILE A 334
PHE A 319
ASP A 317
GLU A 294
 None
 1.15A 3kp6A-2fymA:
0.0
3kp6B-2fymA:
undetectable		 3kp6A-2fymA:
20.74
3kp6B-2fymA:
20.74
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.
2ggp PROBABLE
COPPER-TRANSPORTING
ATPASE

(Saccharomyces
cerevisiae) 		PF00403
(HMA) 		4 ILE B  20
PHE B  64
ASP B  65
GLU B  60
 None
 1.07A 3kp6A-2ggpB:
undetectable
3kp6B-2ggpB:
undetectable		 3kp6A-2ggpB:
20.00
3kp6B-2ggpB:
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 ILE A 260
PHE A 263
ASP A 264
GLU A 269
 None
 0.96A 3kp6A-2gv8A:
undetectable
3kp6B-2gv8A:
undetectable		 3kp6A-2gv8A:
17.95
3kp6B-2gv8A:
17.95
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.
2it2 UPF0130 PROTEIN
PH1069

(Pyrococcus
horikoshii) 		PF02676
(TYW3) 		4 ILE A 135
PHE A   7
ASP A 117
GLU A 116
 None
 1.09A 3kp6A-2it2A:
undetectable
3kp6B-2it2A:
undetectable		 3kp6A-2it2A:
22.94
3kp6B-2it2A:
22.94
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.
2klt SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 ILE A 645
PHE A 587
ASP A 555
GLU A 554
 None
 1.09A 3kp6A-2kltA:
undetectable
3kp6B-2kltA:
undetectable		 3kp6A-2kltA:
22.54
3kp6B-2kltA:
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.
2lv7 CALCIUM-BINDING
PROTEIN 7

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 ILE A  38
PHE A  91
ASP A  90
GLU A  93
 None
None
CA  A 202 (-4.2A)
CA  A 202 (-2.4A)
 1.14A 3kp6A-2lv7A:
undetectable
3kp6B-2lv7A:
undetectable		 3kp6A-2lv7A:
21.43
3kp6B-2lv7A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mbx PARVALBUMIN BETA

(Gadus morhua) 		PF13499
(EF-hand_7) 		4 ILE A  51
PHE A 103
ASP A 101
GLU A 102
 None
None
None
CA  A 202 (-2.2A)
 1.18A 3kp6A-2mbxA:
undetectable
3kp6B-2mbxA:
undetectable		 3kp6A-2mbxA:
23.84
3kp6B-2mbxA:
23.84
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.
2mhh POLYCYSTIC KIDNEY
DISEASE PROTEIN 2

(Strongylocentrotus
purpuratus) 		no annotation 4 ILE A  65
PHE A  48
ASP A  47
GLU A  50
 None
 0.88A 3kp6A-2mhhA:
undetectable
3kp6B-2mhhA:
2.5		 3kp6A-2mhhA:
16.88
3kp6B-2mhhA:
16.88
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.
2n6d N-ACETYLGLUCOSAMINE-
1-PHOSPHOTRANSFERASE
SUBUNITS ALPHA/BETA

(Homo sapiens) 		no annotation 4 ILE A 164
PHE A 144
ASP A 143
GLU A 146
 None
 1.10A 3kp6A-2n6dA:
undetectable
3kp6B-2n6dA:
undetectable		 3kp6A-2n6dA:
21.55
3kp6B-2n6dA:
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.
2oso HYPOTHETICAL PROTEIN
MJ1460

(Methanocaldococcus
jannaschii) 		PF02830
(V4R) 		4 ILE A 119
PHE A  75
ASP A  82
GLU A  84
 None
 1.15A 3kp6A-2osoA:
undetectable
3kp6B-2osoA:
undetectable		 3kp6A-2osoA:
23.66
3kp6B-2osoA:
23.66
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 ILE A  18
PHE A  44
ASP A  45
GLU A  42
 None
 1.16A 3kp6A-2pbpA:
undetectable
3kp6B-2pbpA:
undetectable		 3kp6A-2pbpA:
21.40
3kp6B-2pbpA:
21.40
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.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 ILE A 144
PHE A 116
ASP A 115
GLU A 114
 None
 1.05A 3kp6A-2q66A:
1.6
3kp6B-2q66A:
2.1		 3kp6A-2q66A:
15.98
3kp6B-2q66A:
15.98
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.
2rij PUTATIVE
2,3,4,5-TETRAHYDROPY
RIDINE-2-CARBOXYLATE
N-
SUCCINYLTRANSFERASE

(Campylobacter
jejuni) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		4 ILE A  12
PHE A   8
ASP A   7
GLU A   6
 None
 1.05A 3kp6A-2rijA:
undetectable
3kp6B-2rijA:
undetectable		 3kp6A-2rijA:
16.49
3kp6B-2rijA:
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.
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		4 LYS A 278
ILE A  90
PHE A 272
ASP A 271
 None
 0.99A 3kp6A-2uw2A:
undetectable
3kp6B-2uw2A:
0.8		 3kp6A-2uw2A:
21.39
3kp6B-2uw2A:
21.39
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ILE A 276
PHE A 393
ASP A 394
GLU A 395
 None
 0.87A 3kp6A-2wm4A:
1.0
3kp6B-2wm4A:
undetectable		 3kp6A-2wm4A:
15.78
3kp6B-2wm4A:
15.78
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.
2wqs AGGLUTININ RECEPTOR

(Streptococcus
gordonii) 		PF16364
(Antigen_C) 		4 ILE A1369
PHE A1365
ASP A1364
GLU A1363
 None
 1.08A 3kp6A-2wqsA:
undetectable
3kp6B-2wqsA:
undetectable		 3kp6A-2wqsA:
19.82
3kp6B-2wqsA:
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 ILE A 788
PHE A 777
ASP A 778
GLU A 807
 None
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
 1.18A 3kp6A-2ya1A:
undetectable
3kp6B-2ya1A:
undetectable		 3kp6A-2ya1A:
10.21
3kp6B-2ya1A:
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ILE A 333
PHE A 322
ASP A 323
GLU A 352
 None
None
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
 1.18A 3kp6A-2ya2A:
undetectable
3kp6B-2ya2A:
undetectable		 3kp6A-2ya2A:
12.09
3kp6B-2ya2A:
12.09
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ILE A  93
PHE A  95
ASP A  96
GLU A 101
 None
 0.97A 3kp6A-2ycbA:
undetectable
3kp6B-2ycbA:
undetectable		 3kp6A-2ycbA:
13.97
3kp6B-2ycbA:
13.97
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 ILE A 675
PHE A 664
ASP A 665
GLU A 694
 None
 1.16A 3kp6A-2yocA:
undetectable
3kp6B-2yocA:
undetectable		 3kp6A-2yocA:
10.16
3kp6B-2yocA:
10.16
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ILE A 102
PHE A 104
ASP A 105
GLU A 110
 None
 0.83A 3kp6A-3af5A:
undetectable
3kp6B-3af5A:
undetectable		 3kp6A-3af5A:
13.80
3kp6B-3af5A:
13.80
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		4 ILE A 148
PHE A  88
ASP A  92
GLU A  86
 None
 0.98A 3kp6A-3at7A:
1.9
3kp6B-3at7A:
undetectable		 3kp6A-3at7A:
20.36
3kp6B-3at7A:
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 ILE A 151
PHE A 195
ASP A 196
GLU A 197
 None
 1.07A 3kp6A-3bolA:
undetectable
3kp6B-3bolA:
undetectable		 3kp6A-3bolA:
15.79
3kp6B-3bolA:
15.79
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		4 ILE A 100
PHE A 342
ASP A 341
GLU A 344
 QUE  A 501 ( 3.8A)
None
None
None
 1.03A 3kp6A-3bptA:
undetectable
3kp6B-3bptA:
undetectable		 3kp6A-3bptA:
20.33
3kp6B-3bptA:
20.33
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		4 ILE A  31
PHE A  92
ASP A  91
GLU A  94
 None
 0.89A 3kp6A-3c85A:
undetectable
3kp6B-3c85A:
undetectable		 3kp6A-3c85A:
20.00
3kp6B-3c85A:
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.
3c98 SYNTAXIN-1A

(Rattus
norvegicus) 		PF00804
(Syntaxin)
PF05739
(SNARE) 		4 ILE B 115
PHE B  34
ASP B  31
GLU B  32
 None
 1.12A 3kp6A-3c98B:
2.1
3kp6B-3c98B:
1.7		 3kp6A-3c98B:
18.98
3kp6B-3c98B:
18.98
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		4 LYS A 104
ILE A  46
PHE A  48
ASP A  22
 None
None
None
CA  A 375 (-2.3A)
 1.08A 3kp6A-3fd2A:
undetectable
3kp6B-3fd2A:
undetectable		 3kp6A-3fd2A:
18.92
3kp6B-3fd2A:
18.92
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		4 LYS A 307
ILE A 249
PHE A 251
ASP A 225
 None
None
None
CA  A 374 (-2.4A)
 1.11A 3kp6A-3fd2A:
undetectable
3kp6B-3fd2A:
undetectable		 3kp6A-3fd2A:
18.92
3kp6B-3fd2A:
18.92
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.
3g1c THE TRPR LIKE
PROTEIN FROM
EUBACTERIUM ELIGENS
ATCC 27750

([Eubacterium]
eligens) 		PF01371
(Trp_repressor) 		4 ILE A  17
PHE A  29
ASP A  28
GLU A  25
 None
 1.07A 3kp6A-3g1cA:
2.8
3kp6B-3g1cA:
3.1		 3kp6A-3g1cA:
23.31
3kp6B-3g1cA:
23.31
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.
3g9h SUPPRESSOR OF YEAST
PROFILIN DELETION

(Saccharomyces
cerevisiae) 		PF10291
(muHD) 		4 ILE A 710
PHE A 816
ASP A 746
GLU A 745
 None
 1.07A 3kp6A-3g9hA:
undetectable
3kp6B-3g9hA:
undetectable		 3kp6A-3g9hA:
22.09
3kp6B-3g9hA:
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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		4 ILE B 155
PHE B 105
ASP B  11
GLU B   7
 None
 1.16A 3kp6A-3hzhB:
undetectable
3kp6B-3hzhB:
undetectable		 3kp6A-3hzhB:
22.87
3kp6B-3hzhB:
22.87
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		4 ILE A  70
PHE A 104
ASP A 105
GLU A 107
 None
None
MN  A 522 (-2.5A)
MN  A 522 (-2.6A)
 1.18A 3kp6A-3l7gA:
undetectable
3kp6B-3l7gA:
undetectable		 3kp6A-3l7gA:
14.89
3kp6B-3l7gA:
14.89
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.
3le2 SERPIN-ZX

(Arabidopsis
thaliana) 		PF00079
(Serpin) 		4 ILE A 277
PHE A 275
ASP A 361
GLU A 274
 None
 1.03A 3kp6A-3le2A:
undetectable
3kp6B-3le2A:
undetectable		 3kp6A-3le2A:
18.11
3kp6B-3le2A:
18.11
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		4 ILE A 392
PHE A 394
ASP A 395
GLU A 399
 None
 1.17A 3kp6A-3loyA:
undetectable
3kp6B-3loyA:
undetectable		 3kp6A-3loyA:
11.99
3kp6B-3loyA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1g PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Corynebacterium
glutamicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ILE A  86
PHE A 158
ASP A 157
GLU A 161
 None
 1.13A 3kp6A-3m1gA:
undetectable
3kp6B-3m1gA:
1.1		 3kp6A-3m1gA:
18.13
3kp6B-3m1gA:
18.13
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.
3m9y TRIOSEPHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00121
(TIM) 		4 ILE A  39
PHE A  22
ASP A  21
GLU A  18
 None
 1.07A 3kp6A-3m9yA:
undetectable
3kp6B-3m9yA:
undetectable		 3kp6A-3m9yA:
22.80
3kp6B-3m9yA:
22.80
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.
3mip MSO-8G

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 LYS A 104
ILE A  46
PHE A  48
ASP A  22
 None
None
None
CA  A   2 ( 2.4A)
 1.18A 3kp6A-3mipA:
undetectable
3kp6B-3mipA:
undetectable		 3kp6A-3mipA:
22.70
3kp6B-3mipA:
22.70
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		4 ILE A 137
PHE A 150
ASP A 149
GLU A 152
 None
 1.05A 3kp6A-3q1yA:
undetectable
3kp6B-3q1yA:
undetectable		 3kp6A-3q1yA:
23.75
3kp6B-3q1yA:
23.75
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 4 ILE A  83
PHE A 122
ASP A 124
GLU A  88
 None
 1.08A 3kp6A-3qy7A:
undetectable
3kp6B-3qy7A:
undetectable		 3kp6A-3qy7A:
20.39
3kp6B-3qy7A:
20.39
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		4 ILE A 233
PHE A 120
ASP A 204
GLU A 205
 None
 1.07A 3kp6A-3r9uA:
undetectable
3kp6B-3r9uA:
undetectable		 3kp6A-3r9uA:
17.03
3kp6B-3r9uA:
17.03
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 ILE A  47
PHE A  60
ASP A  83
GLU A  59
 None
 1.10A 3kp6A-3rg1A:
undetectable
3kp6B-3rg1A:
undetectable		 3kp6A-3rg1A:
15.59
3kp6B-3rg1A:
15.59
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE A  47
PHE A  60
ASP A  83
GLU A  59
 None
 1.16A 3kp6A-3t6qA:
undetectable
3kp6B-3t6qA:
undetectable		 3kp6A-3t6qA:
12.83
3kp6B-3t6qA:
12.83
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ILE A 330
PHE A 315
ASP A 313
GLU A 290
 None
 1.13A 3kp6A-3tqpA:
0.4
3kp6B-3tqpA:
undetectable		 3kp6A-3tqpA:
17.72
3kp6B-3tqpA:
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.
3tr7 URACIL-DNA
GLYCOSYLASE

(Coxiella
burnetii) 		PF03167
(UDG) 		4 ILE A 141
PHE A  29
ASP A  28
GLU A  25
 None
 1.05A 3kp6A-3tr7A:
undetectable
3kp6B-3tr7A:
undetectable		 3kp6A-3tr7A:
24.58
3kp6B-3tr7A:
24.58
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		4 LYS A   2
ILE A 201
PHE A 184
ASP A 183
 None
 1.16A 3kp6A-3v3tA:
undetectable
3kp6B-3v3tA:
undetectable		 3kp6A-3v3tA:
20.22
3kp6B-3v3tA:
20.22
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.
4bgo EFEM M75 PEPTIDASE

(Pseudomonas
syringae) 		PF09375
(Peptidase_M75) 		4 ILE A 185
PHE A 200
ASP A 199
GLU A 189
 None
 1.04A 3kp6A-4bgoA:
1.7
3kp6B-4bgoA:
undetectable		 3kp6A-4bgoA:
20.77
3kp6B-4bgoA:
20.77
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.
4gf2 ERYTHROCYTE BINDING
ANTIGEN 140

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 LYS A 637
ILE A 669
PHE A 630
ASP A 629
 None
 1.17A 3kp6A-4gf2A:
undetectable
3kp6B-4gf2A:
0.2		 3kp6A-4gf2A:
13.88
3kp6B-4gf2A:
13.88
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.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		4 ILE B 166
PHE B 181
ASP B 180
GLU B 183
 None
 1.12A 3kp6A-4gmjB:
undetectable
3kp6B-4gmjB:
undetectable		 3kp6A-4gmjB:
21.40
3kp6B-4gmjB:
21.40
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.
4h3s GLUTAMINE-TRNA
LIGASE

(Saccharomyces
cerevisiae) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2) 		4 ILE A 306
PHE A 290
ASP A 291
GLU A 259
 None
 0.94A 3kp6A-4h3sA:
undetectable
3kp6B-4h3sA:
undetectable		 3kp6A-4h3sA:
10.66
3kp6B-4h3sA:
10.66
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.
4h62 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Saccharomyces
cerevisiae) 		PF10156
(Med17) 		4 ILE Q 647
PHE Q 673
ASP Q 672
GLU Q 669
 None
 0.91A 3kp6A-4h62Q:
undetectable
3kp6B-4h62Q:
undetectable		 3kp6A-4h62Q:
21.84
3kp6B-4h62Q:
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.
4irv APOPTOSIS-STIMULATIN
G OF P53 PROTEIN 2
CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori;
Homo sapiens) 		no annotation 4 LYS E 751
ILE A  99
PHE A 216
ASP A 214
 None
 1.05A 3kp6A-4irvE:
undetectable
3kp6B-4irvE:
undetectable		 3kp6A-4irvE:
17.11
3kp6B-4irvE:
17.11
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.
4jrl PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
ovatus) 		PF13201
(PCMD) 		4 ILE A 274
PHE A 319
ASP A 309
GLU A 306
 None
 1.11A 3kp6A-4jrlA:
undetectable
3kp6B-4jrlA:
undetectable		 3kp6A-4jrlA:
18.71
3kp6B-4jrlA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 ILE A 100
PHE A  67
ASP A  68
GLU A 112
 None
 1.17A 3kp6A-4m8rA:
undetectable
3kp6B-4m8rA:
undetectable		 3kp6A-4m8rA:
16.08
3kp6B-4m8rA:
16.08
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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		4 ILE A 145
PHE A  93
ASP A  92
GLU A  91
 None
 0.99A 3kp6A-4n18A:
undetectable
3kp6B-4n18A:
undetectable		 3kp6A-4n18A:
17.54
3kp6B-4n18A:
17.54
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ILE D 803
PHE D 799
ASP D 798
GLU D 797
 None
None
MLY  D 794 ( 3.0A)
None
 1.10A 3kp6A-4ngeD:
1.6
3kp6B-4ngeD:
1.3		 3kp6A-4ngeD:
9.61
3kp6B-4ngeD:
9.61
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 ILE B  33
PHE B  29
ASP B  25
GLU B  26
 None
 1.18A 3kp6A-4ouaB:
undetectable
3kp6B-4ouaB:
undetectable		 3kp6A-4ouaB:
14.50
3kp6B-4ouaB:
14.50
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ILE A  95
PHE A  79
ASP A  80
GLU A  48
 None
 0.98A 3kp6A-4p2bA:
undetectable
3kp6B-4p2bA:
undetectable		 3kp6A-4p2bA:
14.34
3kp6B-4p2bA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5p THIJ/PFPI FAMILY
PROTEIN

(Francisella
tularensis) 		PF01965
(DJ-1_PfpI) 		4 ILE A 139
PHE A 174
ASP A 178
GLU A 177
 None
 1.11A 3kp6A-4p5pA:
undetectable
3kp6B-4p5pA:
undetectable		 3kp6A-4p5pA:
21.93
3kp6B-4p5pA:
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.
4p74 PHENYLALANINE--TRNA
LIGASE ALPHA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01409
(tRNA-synt_2d) 		4 ILE C 148
PHE C 164
ASP C 179
GLU C 200
 None
 1.11A 3kp6A-4p74C:
undetectable
3kp6B-4p74C:
undetectable		 3kp6A-4p74C:
16.57
3kp6B-4p74C:
16.57
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.
4pcz FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Lactococcus
lactis) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		4 ILE A 204
PHE A 140
ASP A 139
GLU A 134
 None
 0.97A 3kp6A-4pczA:
undetectable
3kp6B-4pczA:
undetectable		 3kp6A-4pczA:
23.97
3kp6B-4pczA:
23.97
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ILE A 177
PHE A 298
ASP A 283
GLU A 281
 None
 1.13A 3kp6A-4pdxA:
undetectable
3kp6B-4pdxA:
undetectable		 3kp6A-4pdxA:
12.80
3kp6B-4pdxA:
12.80
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.
4q1l SNAKE VENOM
METALLOPROTEINASE
LEUCUROLYSIN-A

(Bothrops
leucurus) 		PF01421
(Reprolysin) 		4 ILE A 110
PHE A 103
ASP A 104
GLU A 105
 None
 1.18A 3kp6A-4q1lA:
undetectable
3kp6B-4q1lA:
undetectable		 3kp6A-4q1lA:
20.39
3kp6B-4q1lA:
20.39
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.
4qgl ACIREDUCTONE
DIOXYGENASE

(Bacillus
anthracis) 		PF03079
(ARD) 		4 ILE A 136
PHE A 116
ASP A 127
GLU A 129
 None
 1.06A 3kp6A-4qglA:
undetectable
3kp6B-4qglA:
undetectable		 3kp6A-4qglA:
27.17
3kp6B-4qglA:
27.17
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.
4r6h SOLUTE BINDING
PROTEIN MSME

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 ILE A  16
PHE A 305
ASP A 304
GLU A 301
 None
 0.94A 3kp6A-4r6hA:
undetectable
3kp6B-4r6hA:
undetectable		 3kp6A-4r6hA:
16.20
3kp6B-4r6hA:
16.20
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.
4rwf ADRENOMEDULLIN
MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00214
(Calc_CGRP_IAPP)
PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8) 		4 ILE B  47
PHE A2095
ASP A2096
GLU A2099
 None
 0.71A 3kp6A-4rwfB:
undetectable
3kp6B-4rwfB:
undetectable		 3kp6A-4rwfB:
14.29
3kp6B-4rwfB:
14.29
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		4 ILE A 364
PHE A 339
ASP A 340
GLU A 341
 None
 1.12A 3kp6A-4uz1A:
undetectable
3kp6B-4uz1A:
undetectable		 3kp6A-4uz1A:
18.16
3kp6B-4uz1A:
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		4 ILE A  63
PHE A 269
ASP A 267
GLU A 264
 None
 1.11A 3kp6A-4wr2A:
undetectable
3kp6B-4wr2A:
undetectable		 3kp6A-4wr2A:
19.12
3kp6B-4wr2A:
19.12
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		4 LYS A   2
ILE A 201
PHE A 184
ASP A 183
 NA  A 402 (-3.6A)
None
None
None
 1.17A 3kp6A-4xcqA:
undetectable
3kp6B-4xcqA:
undetectable		 3kp6A-4xcqA:
21.56
3kp6B-4xcqA:
21.56
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ILE A  83
PHE A  67
ASP A  68
GLU A  36
 None
 0.80A 3kp6A-5bnzA:
undetectable
3kp6B-5bnzA:
undetectable		 3kp6A-5bnzA:
14.00
3kp6B-5bnzA:
14.00
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.
5cwt NUCLEOPORIN NUP57

(Chaetomium
thermophilum) 		no annotation 4 LYS A  52
PHE A  47
ASP A  46
GLU A  49
 None
 1.17A 3kp6A-5cwtA:
undetectable
3kp6B-5cwtA:
undetectable		 3kp6A-5cwtA:
22.96
3kp6B-5cwtA:
22.96
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.
5d4w PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ILE A 659
PHE A 705
ASP A 662
GLU A 665
 None
 1.05A 3kp6A-5d4wA:
undetectable
3kp6B-5d4wA:
undetectable		 3kp6A-5d4wA:
9.99
3kp6B-5d4wA:
9.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6f CNPV261 HOLLIDAY
JUNCTION RESOLVASE
PROTEIN

(Canarypox virus) 		PF04848
(Pox_A22) 		4 LYS A   2
ILE A 143
ASP A  23
GLU A  22
 None
 1.14A 3kp6A-5e6fA:
undetectable
3kp6B-5e6fA:
undetectable		 3kp6A-5e6fA:
23.63
3kp6B-5e6fA:
23.63
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.
5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ILE A1815
PHE A1811
ASP A1810
GLU A1809
 None
 1.07A 3kp6A-5h08A:
undetectable
3kp6B-5h08A:
undetectable		 3kp6A-5h08A:
21.14
3kp6B-5h08A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		4 ILE B 470
PHE B 429
ASP B 431
GLU B 427
 None
 1.16A 3kp6A-5hb4B:
undetectable
3kp6B-5hb4B:
2.2		 3kp6A-5hb4B:
8.89
3kp6B-5hb4B:
8.89
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 ILE A 229
PHE A 245
ASP A 246
GLU A 213
 None
None
PMP  A 500 (-2.8A)
PMP  A 500 (-3.8A)
 1.16A 3kp6A-5hdmA:
undetectable
3kp6B-5hdmA:
undetectable		 3kp6A-5hdmA:
18.30
3kp6B-5hdmA:
18.30
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		4 ILE A 232
PHE A 267
ASP A 268
GLU A 248
 None
 1.06A 3kp6A-5jrjA:
undetectable
3kp6B-5jrjA:
undetectable		 3kp6A-5jrjA:
18.13
3kp6B-5jrjA:
18.13
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.
5kku POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		4 ILE A 265
PHE A 263
ASP A 262
GLU A 277
 None
 1.06A 3kp6A-5kkuA:
undetectable
3kp6B-5kkuA:
undetectable		 3kp6A-5kkuA:
17.88
3kp6B-5kkuA:
17.88
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 ILE A 149
PHE A 154
ASP A 155
GLU A 156
 None
 1.01A 3kp6A-5lu4A:
undetectable
3kp6B-5lu4A:
undetectable		 3kp6A-5lu4A:
11.70
3kp6B-5lu4A:
11.70
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ILE A 108
PHE A 110
ASP A 111
GLU A 176
 None
None
EDO  A 904 (-3.5A)
None
 0.93A 3kp6A-5t9gA:
undetectable
3kp6B-5t9gA:
undetectable		 3kp6A-5t9gA:
11.03
3kp6B-5t9gA:
11.03
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.
5udb ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Saccharomyces
cerevisiae) 		PF14629
(ORC4_C) 		4 ILE D 247
PHE D 235
ASP D 236
GLU D 239
 None
 1.16A 3kp6A-5udbD:
undetectable
3kp6B-5udbD:
4.9		 3kp6A-5udbD:
15.69
3kp6B-5udbD:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0t PROTEIN MSP1

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 ILE A 286
PHE A 281
ASP A 277
GLU A 280
 None
 1.11A 3kp6A-5w0tA:
undetectable
3kp6B-5w0tA:
undetectable		 3kp6A-5w0tA:
21.78
3kp6B-5w0tA:
21.78
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 LYS B 290
ILE B 263
PHE B 283
GLU B 286
 None
 1.18A 3kp6A-5x2oB:
undetectable
3kp6B-5x2oB:
undetectable		 3kp6A-5x2oB:
16.67
3kp6B-5x2oB:
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.
5xaz GAMMA-BUTYROLACTONE
RECEPTOR PROTEIN

(Streptomyces
fradiae) 		PF00440
(TetR_N) 		4 ILE A  35
PHE A  22
ASP A  23
GLU A  24
 None
 1.00A 3kp6A-5xazA:
undetectable
3kp6B-5xazA:
undetectable		 3kp6A-5xazA:
20.61
3kp6B-5xazA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfp EXOCYST COMPLEX
COMPONENT SEC6

(Saccharomyces
cerevisiae) 		no annotation 4 ILE C 753
PHE C 720
ASP C 722
GLU C 726
 None
 1.12A 3kp6A-5yfpC:
undetectable
3kp6B-5yfpC:
undetectable		 3kp6A-5yfpC:
20.26
3kp6B-5yfpC:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysb LIN1841 PROTEIN

(Listeria
innocua) 		no annotation 4 ILE A 379
PHE A 404
ASP A 406
GLU A 409
 None
 1.14A 3kp6A-5ysbA:
undetectable
3kp6B-5ysbA:
undetectable		 3kp6A-5ysbA:
21.99
3kp6B-5ysbA:
21.99