SIMILAR PATTERNS OF AMINO ACIDS FOR 1ONI_F_BEZF511

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.
1dqp GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Giardia
intestinalis) 		PF00156
(Pribosyltran) 		4 TYR A 172
GLU A  40
PHE A 211
ALA A  36
 None
 1.27A 1oniE-1dqpA:
0.5
1oniF-1dqpA:
0.5		 1oniE-1dqpA:
18.47
1oniF-1dqpA:
18.47
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.
1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 TYR P 113
GLU P 173
PHE P 206
ALA P 117
 None
 1.50A 1oniE-1e4aP:
0.0
1oniF-1e4aP:
0.1		 1oniE-1e4aP:
20.74
1oniF-1e4aP:
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TYR A 232
GLU A 200
PHE A 106
ALA A 202
 None
None
MRY  A1890 (-3.7A)
None
 1.42A 1oniE-1xpgA:
0.7
1oniF-1xpgA:
0.0		 1oniE-1xpgA:
11.99
1oniF-1xpgA:
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		4 GLU A 200
PHE A 208
ARG A 193
ALA A 196
 None
 1.42A 1oniE-3bjdA:
undetectable
1oniF-3bjdA:
undetectable		 1oniE-3bjdA:
19.03
1oniF-3bjdA:
19.03
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 GLU A 760
PHE A 659
ARG A 730
ALA A 698
 None
 1.44A 1oniE-3cttA:
0.0
1oniF-3cttA:
0.0		 1oniE-3cttA:
10.62
1oniF-3cttA:
10.62
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TYR A 733
GLU A 760
PHE A 659
ALA A 698
 None
 1.03A 1oniE-3cttA:
0.0
1oniF-3cttA:
0.0		 1oniE-3cttA:
10.62
1oniF-3cttA:
10.62
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 TYR A 552
GLU A 559
ARG A 555
ALA A 436
 PRO  A   1 (-4.7A)
FAD  A2001 (-2.8A)
PRO  A   1 (-3.8A)
FAD  A2001 (-3.3A)
 1.21A 1oniE-3e2sA:
0.8
1oniF-3e2sA:
0.7		 1oniE-3e2sA:
15.46
1oniF-3e2sA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgv UNCHARACTERIZED
PROTEIN WITH
FERREDOXIN-LIKE FOLD

(Ruegeria
pomeroyi) 		PF03992
(ABM) 		4 TYR A  76
GLU A  74
PHE A  99
ARG A  80
 None
None
None
UNL  A 203 (-3.4A)
 1.47A 1oniE-3fgvA:
0.3
1oniF-3fgvA:
0.3		 1oniE-3fgvA:
25.55
1oniF-3fgvA:
25.55
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 GLU A 789
PHE A 688
ARG A 759
ALA A 727
 None
 1.38A 1oniE-3lppA:
0.0
1oniF-3lppA:
0.0		 1oniE-3lppA:
10.88
1oniF-3lppA:
10.88
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TYR A 762
GLU A 789
PHE A 688
ALA A 727
 None
 1.09A 1oniE-3lppA:
0.0
1oniF-3lppA:
0.0		 1oniE-3lppA:
10.88
1oniF-3lppA:
10.88
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.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		4 TYR A 105
GLU A 127
PHE A 148
ALA A 103
 SO4  A 216 (-4.3A)
None
None
None
 1.45A 1oniE-3ussA:
0.0
1oniF-3ussA:
0.0		 1oniE-3ussA:
20.72
1oniF-3ussA:
20.72
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		4 TYR A 323
GLU A 368
PHE A 409
ALA A 317
 None
SSA  A2002 ( 2.5A)
PT  A2004 (-0.7A)
SSA  A2002 (-4.4A)
 1.40A 1oniE-3w3sA:
0.0
1oniF-3w3sA:
0.0		 1oniE-3w3sA:
12.29
1oniF-3w3sA:
12.29
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.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE

(Delftia sp.
HT23) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 GLU A 254
PHE A 296
ARG A 246
ALA A 253
 None
 1.49A 1oniE-3wqfA:
undetectable
1oniF-3wqfA:
undetectable		 1oniE-3wqfA:
19.64
1oniF-3wqfA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9f CULLIN-5

(Homo sapiens) 		no annotation 4 GLU U  67
PHE U  15
ARG U  23
ALA U  64
 None
 1.31A 1oniE-4n9fU:
undetectable
1oniF-4n9fU:
undetectable		 1oniE-4n9fU:
15.82
1oniF-4n9fU:
15.82
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 TYR A 552
GLU A 559
ARG A 555
ALA A 436
 2OP  A2002 (-4.7A)
FAD  A2001 (-2.7A)
2OP  A2002 (-3.6A)
FAD  A2001 ( 3.5A)
 1.22A 1oniE-4o8aA:
0.2
1oniF-4o8aA:
undetectable		 1oniE-4o8aA:
14.08
1oniF-4o8aA:
14.08
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 GLU A 225
PHE A 136
ARG A 209
ALA A 134
 None
 1.49A 1oniE-4rl6A:
1.2
1oniF-4rl6A:
1.2		 1oniE-4rl6A:
16.39
1oniF-4rl6A:
16.39
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT

(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 TYR B   2
GLU A 247
PHE A  33
ALA A  35
 ACY  B 305 (-4.3A)
None
None
None
 1.17A 1oniE-4zohB:
undetectable
1oniF-4zohB:
undetectable		 1oniE-4zohB:
20.94
1oniF-4zohB:
20.94
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.
5hha PVDO

(Pseudomonas
aeruginosa) 		PF03781
(FGE-sulfatase) 		4 TYR A 147
PHE A  31
ARG A 282
ALA A  76
 None
 1.24A 1oniE-5hhaA:
undetectable
1oniF-5hhaA:
undetectable		 1oniE-5hhaA:
20.00
1oniF-5hhaA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 TYR A 485
GLU A 492
ARG A 488
ALA A 372
 TFB  A2003 (-4.9A)
FAD  A2001 (-2.7A)
TFB  A2003 (-3.8A)
FAD  A2001 (-3.5A)
 1.28A 1oniE-5kf7A:
undetectable
1oniF-5kf7A:
undetectable		 1oniE-5kf7A:
8.27
1oniF-5kf7A:
8.27