SIMILAR PATTERNS OF AMINO ACIDS FOR 4K50_I_ACTI504_0

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.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		3 VAL A 234
GLY A 236
LYS A 278
 ZN  A 398 ( 4.7A)
None
None
 0.78A 4k50I-1citA:
undetectable		 4k50I-1citA:
10.87
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.
1d2n N-ETHYLMALEIMIDE-SEN
SITIVE FUSION
PROTEIN

(Cricetulus
griseus) 		PF00004
(AAA) 		3 VAL A 706
GLY A 708
LYS A 710
 None
 0.74A 4k50I-1d2nA:
0.0		 4k50I-1d2nA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dc9 INTESTINAL FATTY
ACID BINDING PROTEIN

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		3 VAL A  96
GLY A  99
LYS A  94
 None
 0.74A 4k50I-1dc9A:
undetectable		 4k50I-1dc9A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		3 VAL A 251
GLY A 254
LYS A 256
 None
 0.76A 4k50I-1drkA:
0.0		 4k50I-1drkA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 VAL A 346
GLY A 392
LYS A 344
 None
 0.71A 4k50I-1fcpA:
0.0		 4k50I-1fcpA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxm GAMMA-DELTA T-CELL
RECEPTOR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL A 138
GLY A 181
LYS A 179
 None
 0.69A 4k50I-1hxmA:
0.0		 4k50I-1hxmA:
19.66
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		3 VAL A  26
GLY A  28
LYS A  30
 None
 0.76A 4k50I-1j2bA:
0.0		 4k50I-1j2bA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 VAL A 142
GLY A 144
LYS A 146
 None
 0.73A 4k50I-1k4qA:
0.0		 4k50I-1k4qA:
21.88
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 VAL A 458
GLY A 462
LYS A 340
 None
 0.58A 4k50I-1kblA:
2.1		 4k50I-1kblA:
20.71
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		3 VAL A  13
GLY A  15
LYS A  11
 None
 0.58A 4k50I-1npcA:
1.0		 4k50I-1npcA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		3 VAL A  88
GLY A  91
LYS A 429
 None
 0.79A 4k50I-1nr6A:
undetectable		 4k50I-1nr6A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		3 VAL B  23
GLY B  25
LYS B  65
 None
 0.70A 4k50I-1qpwB:
undetectable		 4k50I-1qpwB:
16.07
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		3 VAL A 108
GLY A 110
LYS A 112
 None
 0.58A 4k50I-1s7hA:
undetectable		 4k50I-1s7hA:
18.20
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.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 VAL A 324
GLY A 320
LYS A 318
 ADP  A1801 (-4.3A)
None
None
 0.77A 4k50I-1u6rA:
undetectable		 4k50I-1u6rA:
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.
1uas ALPHA-GALACTOSIDASE

(Oryza sativa) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		3 VAL A  36
GLY A  39
LYS A  42
 None
 0.57A 4k50I-1uasA:
undetectable		 4k50I-1uasA:
20.09
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.
1uel UV EXCISION REPAIR
PROTEIN RAD23
HOMOLOG B

(Homo sapiens) 		PF00240
(ubiquitin) 		3 VAL A  41
GLY A  43
LYS A  45
 None
 0.65A 4k50I-1uelA:
undetectable		 4k50I-1uelA:
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		3 VAL A 573
GLY A 576
LYS A 581
 None
 0.58A 4k50I-1ut9A:
1.0		 4k50I-1ut9A:
23.21
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.
1v64 NUCLEOLAR
TRANSCRIPTION FACTOR
1

(Mus musculus) 		PF09011
(HMG_box_2) 		3 VAL A  93
GLY A  95
LYS A  98
 None
 0.58A 4k50I-1v64A:
undetectable		 4k50I-1v64A:
11.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		3 VAL A 121
GLY A 124
LYS A 126
 None
 0.59A 4k50I-1xr5A:
51.9		 4k50I-1xr5A:
55.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ypz T CELL RECEPTOR
DELTA

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 VAL E 137
GLY E 180
LYS E 178
 None
 0.50A 4k50I-1ypzE:
undetectable		 4k50I-1ypzE:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zv6 EPB49 PROTEIN

(Homo sapiens) 		PF02209
(VHP)
PF16182
(AbLIM_anchor) 		3 VAL A  21
GLY A  25
LYS A  28
 None
 0.66A 4k50I-1zv6A:
undetectable		 4k50I-1zv6A:
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 VAL A 148
GLY A 167
LYS A 169
 None
 0.77A 4k50I-2bklA:
undetectable		 4k50I-2bklA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		3 VAL A 129
GLY A 169
LYS A 123
 None
 0.66A 4k50I-2btyA:
undetectable		 4k50I-2btyA:
23.48
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		3 VAL A 117
GLY A 120
LYS A 122
 None
 0.78A 4k50I-2cw6A:
undetectable		 4k50I-2cw6A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		3 VAL A 129
GLY A 132
LYS A 134
 None
 0.62A 4k50I-2d1fA:
undetectable		 4k50I-2d1fA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dhj RHO GTPASE
ACTIVATING PROTEIN
21

(Homo sapiens) 		PF15410
(PH_9) 		3 VAL A  40
GLY A  13
LYS A  11
 None
 0.79A 4k50I-2dhjA:
undetectable		 4k50I-2dhjA:
14.25
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A 179
GLY A 182
LYS A 184
 None
 0.64A 4k50I-2dphA:
undetectable		 4k50I-2dphA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		3 VAL A1038
GLY A 911
LYS A1036
 None
 0.77A 4k50I-2ec5A:
2.5		 4k50I-2ec5A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2em8 ZINC FINGER PROTEIN
224

(Homo sapiens) 		no annotation 3 VAL A  16
GLY A  19
LYS A  14
 None
 0.59A 4k50I-2em8A:
undetectable		 4k50I-2em8A:
11.00
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.
2g1d 30S RIBOSOMAL
PROTEIN S24E

(Thermoplasma
acidophilum) 		PF01282
(Ribosomal_S24e) 		3 VAL A  22
GLY A  67
LYS A  20
 None
 0.73A 4k50I-2g1dA:
undetectable		 4k50I-2g1dA:
16.16
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		3 VAL A  31
GLY A  17
LYS A  29
 4IG  A 885 (-4.3A)
None
None
 0.67A 4k50I-2g1sA:
undetectable		 4k50I-2g1sA:
22.34
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.
2gy5 ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF10430
(Ig_Tie2_1) 		3 VAL A 429
GLY A 431
LYS A 253
 None
None
SO4  A   5 ( 4.0A)
 0.70A 4k50I-2gy5A:
undetectable		 4k50I-2gy5A:
23.00
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.
2mcf TGAM_1934

(Thermococcus
gammatolerans) 		no annotation 3 VAL A  66
GLY A  61
LYS A  85
 None
 0.56A 4k50I-2mcfA:
undetectable		 4k50I-2mcfA:
16.23
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.
2nbh FUNGAL HYDROPHOBIN

(Schizophyllum
commune) 		PF01185
(Hydrophobin) 		3 VAL A  72
GLY A 108
LYS A  69
 None
 0.68A 4k50I-2nbhA:
undetectable		 4k50I-2nbhA:
16.52
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.
2pxs GFP-LIKE FLUORESCENT
CHROMOPROTEIN FP506

(Zoanthus sp.) 		PF01353
(GFP) 		3 VAL A  28
GLY A  20
LYS A  26
 None
 0.72A 4k50I-2pxsA:
undetectable		 4k50I-2pxsA:
20.45
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.
2q74 INOSITOL-1-MONOPHOSP
HATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		3 VAL A 263
GLY A 230
LYS A 260
 None
 0.75A 4k50I-2q74A:
undetectable		 4k50I-2q74A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Gallus gallus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		3 VAL A 100
GLY A 102
LYS A  96
 None
 0.67A 4k50I-2r2iA:
undetectable		 4k50I-2r2iA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ra9 UNCHARACTERIZED
PROTEIN DUF1285

(Shewanella
baltica) 		PF06938
(DUF1285) 		3 VAL A  89
GLY A 138
LYS A 136
 None
EDO  A 161 (-3.6A)
EDO  A 161 ( 4.2A)
 0.75A 4k50I-2ra9A:
undetectable		 4k50I-2ra9A:
15.43
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 VAL A 241
GLY A 243
LYS A 246
 None
 0.59A 4k50I-2rgwA:
undetectable		 4k50I-2rgwA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 VAL A 255
GLY A 257
LYS A 273
 None
 0.66A 4k50I-2v4jA:
undetectable		 4k50I-2v4jA:
22.79
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.
2wfo GLYCOPROTEIN 1

(Machupo
mammarenavirus) 		PF00798
(Arena_glycoprot) 		3 VAL A 187
GLY A 189
LYS A 181
 None
 0.77A 4k50I-2wfoA:
undetectable		 4k50I-2wfoA:
16.96
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.
2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE

(Homo sapiens) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 VAL A 187
GLY A 154
LYS A 189
 None
None
POP  A 500 (-2.9A)
 0.61A 4k50I-2x4dA:
undetectable		 4k50I-2x4dA:
20.51
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		3 VAL A 220
GLY A 222
LYS A 218
 None
GOL  A 702 (-3.6A)
GOL  A 702 (-3.1A)
 0.73A 4k50I-2z5xA:
undetectable		 4k50I-2z5xA:
23.78
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.
3ako VENUS

(Plant
transformation
vector
pSITEII-4C1) 		PF01353
(GFP) 		3 VAL A  22
GLY A  24
LYS A  26
 None
 0.74A 4k50I-3akoA:
undetectable		 4k50I-3akoA:
17.39
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.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 VAL A 126
GLY A 129
LYS A 132
 None
 0.68A 4k50I-3bazA:
undetectable		 4k50I-3bazA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		3 VAL A  92
GLY A  90
LYS A  88
 None
 0.55A 4k50I-3bexA:
undetectable		 4k50I-3bexA:
18.88
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.
3bg0 NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		3 VAL B 165
GLY B 169
LYS B 162
 None
 0.77A 4k50I-3bg0B:
undetectable		 4k50I-3bg0B:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu2 PUTATIVE
TRNA-BINDING PROTEIN

(Staphylococcus
saprophyticus) 		PF01588
(tRNA_bind)
PF14794
(DUF4479) 		3 VAL A 138
GLY A  96
LYS A 136
 None
 0.58A 4k50I-3bu2A:
undetectable		 4k50I-3bu2A:
18.14
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.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA

(Aequorea
victoria;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		3 VAL A 180
GLY A 182
LYS A 184
 None
 0.76A 4k50I-3evrA:
undetectable		 4k50I-3evrA:
23.11
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		3 VAL A  53
GLY A  56
LYS A  59
 None
 0.77A 4k50I-3fcjA:
undetectable		 4k50I-3fcjA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		3 VAL A  44
GLY A  54
LYS A  58
 None
 0.76A 4k50I-3fe1A:
undetectable		 4k50I-3fe1A:
22.34
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 VAL A  93
GLY A  95
LYS A  91
 None
 0.70A 4k50I-3h2xA:
0.7		 4k50I-3h2xA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		3 VAL A  57
GLY A  67
LYS A  71
 None
 0.67A 4k50I-3l4iA:
undetectable		 4k50I-3l4iA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		3 VAL A 219
GLY A 222
LYS A 224
 None
 0.76A 4k50I-3la8A:
undetectable		 4k50I-3la8A:
22.49
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.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		3 VAL A  66
GLY A  77
LYS A  81
 None
 0.71A 4k50I-3ldoA:
undetectable		 4k50I-3ldoA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		3 VAL A 434
GLY A 436
LYS A 438
 None
 0.73A 4k50I-3osrA:
undetectable		 4k50I-3osrA:
22.34
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		3 VAL A 100
GLY A  98
LYS A  73
 None
 0.63A 4k50I-3pbkA:
undetectable		 4k50I-3pbkA:
22.68
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.
3r2q UNCHARACTERIZED
GST-LIKE PROTEIN
YIBF

(Escherichia
coli) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 VAL A 142
GLY A 144
LYS A 147
 None
 0.79A 4k50I-3r2qA:
undetectable		 4k50I-3r2qA:
18.04
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.
3u8p CYTOCHROME B562
INTEGRAL FUSION WITH
ENHANCED GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF07361
(Cytochrom_B562) 		3 VAL A  22
GLY A  24
LYS A  26
 None
 0.77A 4k50I-3u8pA:
undetectable		 4k50I-3u8pA:
22.44
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.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 VAL A 109
GLY A 111
LYS A 113
 None
 0.71A 4k50I-3uyqA:
undetectable		 4k50I-3uyqA:
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.
3vpc PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Sulfurisphaera
tokodaii) 		PF08443
(RimK) 		3 VAL A  83
GLY A  85
LYS A  87
 None
None
ADP  A 500 (-2.7A)
 0.73A 4k50I-3vpcA:
undetectable		 4k50I-3vpcA:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 VAL A1581
GLY A1584
LYS A1579
 None
 0.37A 4k50I-4amcA:
undetectable		 4k50I-4amcA:
17.77
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.
4boo ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		3 VAL A  91
GLY A 147
LYS A 145
 None
 0.79A 4k50I-4booA:
undetectable		 4k50I-4booA:
24.47
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.
4ce4 MRPL15

(Sus scrofa) 		PF00828
(Ribosomal_L27A) 		3 VAL P 173
GLY P 171
LYS P 151
 None
 0.73A 4k50I-4ce4P:
undetectable		 4k50I-4ce4P:
19.79
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.
4cmf AMINOTRANSFERASE

([Nectria]
haematococca) 		PF01063
(Aminotran_4) 		3 VAL A 125
GLY A 127
LYS A 129
 None
 0.75A 4k50I-4cmfA:
undetectable		 4k50I-4cmfA:
20.76
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		3 VAL A 266
GLY A 274
LYS A 264
 None
 0.75A 4k50I-4cxhA:
undetectable		 4k50I-4cxhA:
22.27
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		3 VAL A 280
GLY A 282
LYS A 285
 None
 0.72A 4k50I-4i3uA:
undetectable		 4k50I-4i3uA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0q ELONGATION FACTOR
TU-A

(Pseudomonas
putida) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		3 VAL A 302
GLY A 300
LYS A 298
 None
 0.66A 4k50I-4j0qA:
undetectable		 4k50I-4j0qA:
23.35
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 273
GLY A 275
LYS A 102
 None
 0.58A 4k50I-4jhmA:
undetectable		 4k50I-4jhmA:
23.14
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.
4k0v TEK TYROSINE KINASE
VARIANT

(Homo sapiens) 		PF00041
(fn3)
PF10430
(Ig_Tie2_1) 		3 VAL A 429
GLY A 431
LYS A 253
 None
 0.58A 4k50I-4k0vA:
undetectable		 4k50I-4k0vA:
21.63
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		3 VAL A 668
GLY A 670
LYS A 360
 None
 0.76A 4k50I-4ka8A:
1.8		 4k50I-4ka8A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		3 VAL A  88
GLY A  91
LYS A  93
 None
 0.50A 4k50I-4n0qA:
undetectable		 4k50I-4n0qA:
22.50
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A  98
GLY A  77
LYS A  96
 None
 0.68A 4k50I-4oh1A:
undetectable		 4k50I-4oh1A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ohx PROTEIN CLPF-1

(Caenorhabditis
elegans) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		3 VAL A 234
GLY A 236
LYS A 240
 None
 0.70A 4k50I-4ohxA:
undetectable		 4k50I-4ohxA:
22.29
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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 VAL A  67
GLY A  69
LYS A  71
 None
 0.79A 4k50I-4p8rA:
undetectable		 4k50I-4p8rA:
21.66
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		3 VAL A 307
GLY A 309
LYS A 305
 None
 0.77A 4k50I-4qnxA:
undetectable		 4k50I-4qnxA:
20.51
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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 VAL A 264
GLY A 266
LYS A 268
 None
 0.65A 4k50I-4rlqA:
undetectable		 4k50I-4rlqA:
21.49
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.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		3 VAL A 293
GLY A 284
LYS A 291
 None
 0.79A 4k50I-4rnzA:
undetectable		 4k50I-4rnzA:
22.92
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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		3 VAL A 244
GLY A 247
LYS A 250
 None
 0.59A 4k50I-4wj0A:
undetectable		 4k50I-4wj0A:
22.63
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.
4ypo KETOL-ACID
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 VAL A 292
GLY A 294
LYS A 297
 None
 0.67A 4k50I-4ypoA:
undetectable		 4k50I-4ypoA:
23.76
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 3 VAL A  34
GLY A  36
LYS A  29
 None
 0.75A 4k50I-5ce5A:
undetectable		 4k50I-5ce5A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		3 VAL A 373
GLY A 375
LYS A 377
 None
 0.79A 4k50I-5cxwA:
undetectable		 4k50I-5cxwA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d73 GLUTATHIONE
S-TRANSFERASE

(Wuchereria
bancrofti) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 VAL A  22
GLY A  25
LYS A  27
 None
 0.42A 4k50I-5d73A:
undetectable		 4k50I-5d73A:
18.88
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.
5dbx STE20/SPS1-RELATED
PROLINE-ALANINE-RICH
PROTEIN KINASE

(Mus musculus) 		PF00069
(Pkinase) 		3 VAL A 166
GLY A 169
LYS A 172
 None
 0.76A 4k50I-5dbxA:
undetectable		 4k50I-5dbxA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		3 VAL A  66
GLY A  77
LYS A  81
 None
 0.52A 4k50I-5e84A:
undetectable		 4k50I-5e84A:
23.64
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		3 VAL A 212
GLY A  60
LYS A  62
 None
 0.77A 4k50I-5ex2A:
undetectable		 4k50I-5ex2A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 VAL B 228
GLY B 226
LYS B 234
 None
 0.76A 4k50I-5fq6B:
undetectable		 4k50I-5fq6B:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		3 VAL A 252
GLY A 255
LYS A 257
 None
 0.54A 4k50I-5fv4A:
undetectable		 4k50I-5fv4A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5guw NITRIC OXIDE
REDUCTASE SUBUNIT C

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C) 		3 VAL A  81
GLY A  83
LYS A 144
 HEC  A 201 (-4.7A)
None
None
 0.75A 4k50I-5guwA:
undetectable		 4k50I-5guwA:
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		3 VAL A  87
GLY A  70
LYS A  85
 None
 0.71A 4k50I-5gxfA:
undetectable		 4k50I-5gxfA:
20.53
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.
5jbl PROHEAD CORE PROTEIN
PROTEASE

(Escherichia
virus T4) 		PF03420
(Peptidase_S77) 		3 VAL A  21
GLY A  37
LYS A  35
 None
 0.50A 4k50I-5jblA:
undetectable		 4k50I-5jblA:
18.70
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.
5mnw GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		no annotation 3 VAL A 146
GLY A 148
LYS A 151
 Z90  A 201 ( 3.4A)
None
None
 0.65A 4k50I-5mnwA:
undetectable		 4k50I-5mnwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		3 VAL A 329
GLY A 333
LYS A 129
 None
 0.74A 4k50I-5mogA:
undetectable		 4k50I-5mogA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nm9 MOTHERS AGAINST
DECAPENTAPLEGIC
HOMOLOG

(Trichoplax
adhaerens) 		no annotation 3 VAL A  78
GLY A  80
LYS A  82
 None
 0.73A 4k50I-5nm9A:
undetectable		 4k50I-5nm9A:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyn SUPPRESSOR OF HU
SENSITIVITY INVOLVED
IN RECOMBINATION
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 VAL C  37
GLY C  40
LYS C  43
 None
 0.75A 4k50I-5xynC:
undetectable		 4k50I-5xynC:
14.90
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.
5y7i CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 2

(Oreochromis
mossambicus) 		no annotation 3 VAL A  27
GLY A  21
LYS A  19
 None
 0.69A 4k50I-5y7iA:
1.3		 4k50I-5y7iA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 3 VAL A 226
GLY A 228
LYS A 230
 None
 0.79A 4k50I-5zb8A:
undetectable		 4k50I-5zb8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bii GLYOXYLATE REDUCTASE

(Pyrococcus
yayanosii) 		no annotation 3 VAL A 126
GLY A 129
LYS A 132
 None
 0.77A 4k50I-6biiA:
undetectable		 4k50I-6biiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 3 VAL A 181
GLY A 184
LYS A 186
 None
 0.55A 4k50I-6c8vA:
undetectable		 4k50I-6c8vA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 3 VAL A  66
GLY A  77
LYS A  81
 None
 0.77A 4k50I-6eoeA:
undetectable		 4k50I-6eoeA:
23.85