SIMILAR PATTERNS OF AMINO ACIDS FOR 4K50_A_ACTA506_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.
1d2n N-ETHYLMALEIMIDE-SEN
SITIVE FUSION
PROTEIN

(Cricetulus
griseus) 		PF00004
(AAA) 		3 VAL A 706
GLY A 708
LYS A 710
 None
 0.75A 4k50A-1d2nA:
undetectable		 4k50A-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
 0.73A 4k50A-1dc9A:
undetectable		 4k50A-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
 0.74A 4k50A-1drkA:
undetectable		 4k50A-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
 0.68A 4k50A-1fcpA:
0.0		 4k50A-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.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		3 VAL A  25
GLY A  27
LYS A  23
 None
 0.67A 4k50A-1hjqA:
0.0		 4k50A-1hjqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4k50A-1hxmA:
undetectable		 4k50A-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
 0.75A 4k50A-1j2bA:
0.0		 4k50A-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
 0.72A 4k50A-1k4qA:
0.0		 4k50A-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
 0.56A 4k50A-1kblA:
2.3		 4k50A-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.
1l4z STREPTOKINASE

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		3 VAL B 125
GLY B 123
LYS B  76
 None
 0.77A 4k50A-1l4zB:
undetectable		 4k50A-1l4zB:
15.35
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.
1lo1 STEROID HORMONE
RECEPTOR ERR2

(Homo sapiens) 		PF00105
(zf-C4) 		3 VAL A 105
GLY A 107
LYS A 149
 ZN  A 195 ( 4.8A)
None
None
 0.73A 4k50A-1lo1A:
undetectable		 4k50A-1lo1A:
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		3 VAL A  13
GLY A  15
LYS A  11
 None
 0.59A 4k50A-1npcA:
undetectable		 4k50A-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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A  75
GLY A  88
LYS A  73
 None
 0.78A 4k50A-1q1nA:
undetectable		 4k50A-1q1nA:
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.
1qpw PORCINE HEMOGLOBIN
(BETA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		3 VAL B  23
GLY B  25
LYS B  65
 None
 0.71A 4k50A-1qpwB:
undetectable		 4k50A-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.
1qx2 VITAMIN D-DEPENDENT
CALCIUM-BINDING
PROTEIN, INTESTINAL

(Bos taurus) 		PF00036
(EF-hand_1) 		3 VAL A  61
GLY A  59
LYS A  25
 None
 0.76A 4k50A-1qx2A:
undetectable		 4k50A-1qx2A:
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		3 VAL A 108
GLY A 110
LYS A 112
 None
 0.58A 4k50A-1s7hA:
undetectable		 4k50A-1s7hA:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		3 VAL A 121
GLY A 124
LYS A 126
 None
 0.69A 4k50A-1tp7A:
55.5		 4k50A-1tp7A:
100.00
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.
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
 0.75A 4k50A-1u6rA:
1.3		 4k50A-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
 0.53A 4k50A-1uasA:
undetectable		 4k50A-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
 0.69A 4k50A-1uelA:
undetectable		 4k50A-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
 0.59A 4k50A-1ut9A:
undetectable		 4k50A-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
 0.57A 4k50A-1v64A:
undetectable		 4k50A-1v64A:
11.79
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.
1x2g LIPOATE-PROTEIN
LIGASE A

(Escherichia
coli) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		3 VAL A 128
GLY A 130
LYS A 126
 None
 0.65A 4k50A-1x2gA:
undetectable		 4k50A-1x2gA:
21.26
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
 0.55A 4k50A-1xr5A:
51.8		 4k50A-1xr5A:
55.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		3 VAL A 121
GLY A 124
LYS A 126
 None
 0.60A 4k50A-1xr6A:
55.5		 4k50A-1xr6A:
85.22
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.
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 4k50A-1ypzE:
undetectable		 4k50A-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 4k50A-1zv6A:
undetectable		 4k50A-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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		3 VAL A 129
GLY A 169
LYS A 123
 None
 0.65A 4k50A-2btyA:
undetectable		 4k50A-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.
2cod CENTAURIN-DELTA 1

(Homo sapiens) 		PF00169
(PH) 		3 VAL A  30
GLY A  12
LYS A  10
 None
 0.75A 4k50A-2codA:
undetectable		 4k50A-2codA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		3 VAL A 117
GLY A 120
LYS A 122
 None
 0.75A 4k50A-2cw6A:
undetectable		 4k50A-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.
2cx7 STEROL CARRIER
PROTEIN 2

(Thermus
thermophilus) 		PF02036
(SCP2) 		3 VAL A  49
GLY A  68
LYS A  47
 None
 0.69A 4k50A-2cx7A:
undetectable		 4k50A-2cx7A:
13.91
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.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		3 VAL A 129
GLY A 132
LYS A 134
 None
 0.60A 4k50A-2d1fA:
undetectable		 4k50A-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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 VAL A 179
GLY A 182
LYS A 184
 None
 0.65A 4k50A-2dphA:
undetectable		 4k50A-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 4k50A-2ec5A:
2.5		 4k50A-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
 0.61A 4k50A-2em8A:
undetectable		 4k50A-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
 0.71A 4k50A-2g1dA:
undetectable		 4k50A-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
 0.66A 4k50A-2g1sA:
undetectable		 4k50A-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)
 0.68A 4k50A-2gy5A:
undetectable		 4k50A-2gy5A:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		3 VAL 1 304
GLY 1 307
LYS 1 309
 None
 0.74A 4k50A-2ijd1:
51.2		 4k50A-2ijd1:
41.45
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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		3 VAL A 645
GLY A 648
LYS A 760
 None
 0.61A 4k50A-2iunA:
undetectable		 4k50A-2iunA:
20.95
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 3 VAL B 288
GLY B 268
LYS B 270
 None
 0.77A 4k50A-2j04B:
undetectable		 4k50A-2j04B:
22.36
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.
2j59 RHO-GTPASE
ACTIVATING PROTEIN
10

(Homo sapiens) 		PF15410
(PH_9) 		3 VAL M 962
GLY M 935
LYS M 933
 None
 0.77A 4k50A-2j59M:
undetectable		 4k50A-2j59M:
18.10
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.
2mcf TGAM_1934

(Thermococcus
gammatolerans) 		no annotation 3 VAL A  66
GLY A  61
LYS A  85
 None
 0.58A 4k50A-2mcfA:
undetectable		 4k50A-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
 0.67A 4k50A-2nbhA:
undetectable		 4k50A-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.
2nmm 14 KDA
PHOSPHOHISTIDINE
PHOSPHATASE

(Homo sapiens) 		PF05005
(Ocnus) 		3 VAL A  23
GLY A  77
LYS A  21
 None
None
SO4  A 204 (-2.7A)
 0.78A 4k50A-2nmmA:
undetectable		 4k50A-2nmmA:
14.38
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.
2pxs GFP-LIKE FLUORESCENT
CHROMOPROTEIN FP506

(Zoanthus sp.) 		PF01353
(GFP) 		3 VAL A  28
GLY A  20
LYS A  26
 None
 0.69A 4k50A-2pxsA:
undetectable		 4k50A-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
 0.76A 4k50A-2q74A:
undetectable		 4k50A-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.
2qqr JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		no annotation 3 VAL A 978
GLY A 960
LYS A 976
 None
 0.73A 4k50A-2qqrA:
undetectable		 4k50A-2qqrA:
14.83
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.
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
 0.70A 4k50A-2r2iA:
undetectable		 4k50A-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)
 0.77A 4k50A-2ra9A:
undetectable		 4k50A-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
 0.61A 4k50A-2rgwA:
undetectable		 4k50A-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
 0.69A 4k50A-2v4jA:
undetectable		 4k50A-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.
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)
 0.62A 4k50A-2x4dA:
undetectable		 4k50A-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.
2yf0 MYOTUBULARIN-RELATED
PROTEIN 6

(Homo sapiens) 		PF06602
(Myotub-related) 		3 VAL A 287
GLY A 289
LYS A 291
 None
 0.69A 4k50A-2yf0A:
undetectable		 4k50A-2yf0A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ygk NURA

(Sulfolobus
solfataricus) 		PF09376
(NurA) 		3 VAL A  55
GLY A  81
LYS A  53
 None
 0.74A 4k50A-2ygkA:
undetectable		 4k50A-2ygkA:
24.30
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.
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)
 0.71A 4k50A-2z5xA:
undetectable		 4k50A-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.
2zk7 GLUCOSE
1-DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF13561
(adh_short_C2) 		3 VAL A  28
GLY A  31
LYS A  33
 None
 0.76A 4k50A-2zk7A:
undetectable		 4k50A-2zk7A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ako VENUS

(Plant
transformation
vector
pSITEII-4C1) 		PF01353
(GFP) 		3 VAL A  22
GLY A  24
LYS A  26
 None
 0.74A 4k50A-3akoA:
undetectable		 4k50A-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 4k50A-3bazA:
undetectable		 4k50A-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
 0.53A 4k50A-3bexA:
undetectable		 4k50A-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 4k50A-3bg0B:
undetectable		 4k50A-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
 0.59A 4k50A-3bu2A:
undetectable		 4k50A-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.
3dd4 KV
CHANNEL-INTERACTING
PROTEIN 4

(Mus musculus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		3 VAL A 203
GLY A 201
LYS A 157
 CA  A 404 ( 4.6A)
None
None
 0.77A 4k50A-3dd4A:
undetectable		 4k50A-3dd4A:
20.46
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.
3df7 PUTATIVE ATP-GRASP
SUPERFAMILY PROTEIN

(Archaeoglobus
fulgidus) 		PF02655
(ATP-grasp_3) 		3 VAL A 281
GLY A 197
LYS A 283
 None
 0.78A 4k50A-3df7A:
undetectable		 4k50A-3df7A:
23.59
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.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		3 VAL A  82
GLY A  86
LYS A  88
 None
 0.75A 4k50A-3dh0A:
undetectable		 4k50A-3dh0A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djm UNCHARACTERIZED
PROTEIN DUF427

(Rhodobacter
sphaeroides) 		PF04248
(NTP_transf_9) 		3 VAL A  17
GLY A 113
LYS A 111
 None
 0.69A 4k50A-3djmA:
undetectable		 4k50A-3djmA:
13.94
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.
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 4k50A-3evrA:
undetectable		 4k50A-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.
3f4f DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Saccharomyces
cerevisiae) 		PF00692
(dUTPase) 		3 VAL A 121
GLY A  60
LYS A 119
 None
 0.75A 4k50A-3f4fA:
undetectable		 4k50A-3f4fA:
16.97
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.
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
 0.74A 4k50A-3fcjA:
undetectable		 4k50A-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.
3gge PDZ
DOMAIN-CONTAINING
PROTEIN GIPC2

(Homo sapiens) 		PF00595
(PDZ) 		3 VAL A 149
GLY A 147
LYS A 145
 None
 0.78A 4k50A-3ggeA:
undetectable		 4k50A-3ggeA:
13.41
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.
3gkf ALDOLASE LSRF

(Escherichia
coli) 		no annotation 3 VAL O  52
GLY O 249
LYS O  50
 None
 0.74A 4k50A-3gkfO:
undetectable		 4k50A-3gkfO:
22.74
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 VAL A  93
GLY A  95
LYS A  91
 None
 0.72A 4k50A-3h2xA:
undetectable		 4k50A-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
 0.71A 4k50A-3l4iA:
undetectable		 4k50A-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
 0.77A 4k50A-3la8A:
undetectable		 4k50A-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
 0.73A 4k50A-3ldoA:
undetectable		 4k50A-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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		3 VAL A 519
GLY A 522
LYS A 525
 None
 0.77A 4k50A-3mglA:
undetectable		 4k50A-3mglA:
14.48
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.
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 4k50A-3osrA:
undetectable		 4k50A-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
 0.61A 4k50A-3pbkA:
undetectable		 4k50A-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.
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
 0.78A 4k50A-3u8pA:
1.9		 4k50A-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 4k50A-3uyqA:
undetectable		 4k50A-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)
 0.75A 4k50A-3vpcA:
undetectable		 4k50A-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.
4a2v RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF11648
(RIG-I_C-RD) 		3 VAL A 889
GLY A 876
LYS A 891
 None
 0.78A 4k50A-4a2vA:
undetectable		 4k50A-4a2vA:
15.65
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 VAL A1581
GLY A1584
LYS A1579
 None
 0.36A 4k50A-4amcA:
undetectable		 4k50A-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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		3 VAL A  52
GLY A  50
LYS A  54
 None
 0.76A 4k50A-4ayrA:
undetectable		 4k50A-4ayrA:
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.
4ce4 MRPL15

(Sus scrofa) 		PF00828
(Ribosomal_L27A) 		3 VAL P 173
GLY P 171
LYS P 151
 None
 0.72A 4k50A-4ce4P:
undetectable		 4k50A-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
 0.77A 4k50A-4cmfA:
undetectable		 4k50A-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
 0.70A 4k50A-4cxhA:
undetectable		 4k50A-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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 3 VAL A 494
GLY A 442
LYS A 492
 None
 0.66A 4k50A-4egvA:
undetectable		 4k50A-4egvA:
21.98
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		3 VAL A 280
GLY A 282
LYS A 285
 None
 0.71A 4k50A-4i3uA:
undetectable		 4k50A-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
 0.63A 4k50A-4j0qA:
undetectable		 4k50A-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 4k50A-4jhmA:
undetectable		 4k50A-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
 0.56A 4k50A-4k0vA:
undetectable		 4k50A-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
 0.78A 4k50A-4ka8A:
undetectable		 4k50A-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.
4ksy STIMULATOR OF
INTERFERON GENES
PROTEIN

(Homo sapiens) 		PF15009
(TMEM173) 		3 VAL A 239
GLY A 230
LYS A 236
 None
 0.70A 4k50A-4ksyA:
undetectable		 4k50A-4ksyA:
19.96
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.
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 4k50A-4n0qA:
undetectable		 4k50A-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
 0.64A 4k50A-4oh1A:
undetectable		 4k50A-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
 0.72A 4k50A-4ohxA:
undetectable		 4k50A-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.
4pwn SERINE/THREONINE-PRO
TEIN KINASE WNK1

(Homo sapiens) 		PF00069
(Pkinase) 		3 VAL A 435
GLY A 438
LYS A 440
 None
 0.64A 4k50A-4pwnA:
undetectable		 4k50A-4pwnA:
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		3 VAL A 307
GLY A 309
LYS A 305
 None
 0.78A 4k50A-4qnxA:
undetectable		 4k50A-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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		3 VAL A  66
GLY A  69
LYS A  71
 None
 0.76A 4k50A-4qwvA:
undetectable		 4k50A-4qwvA:
21.22