SIMILAR PATTERNS OF AMINO ACIDS FOR 5MWU_A_EDTA609

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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 TYR A  74
ARG A  71
TYR A 236
THR A 188
 GLU  A 701 (-4.6A)
None
GLU  A 701 (-3.4A)
GLU  A 701 (-3.1A)
 1.46A 5mwuA-1ewkA:
1.7		 5mwuA-1ewkA:
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 TYR A 263
ARG A 243
ARG A 299
THR A  77
 DHE  A 602 (-4.4A)
DHE  A 602 (-3.9A)
None
None
 1.44A 5mwuA-1gq1A:
undetectable		 5mwuA-1gq1A:
24.63
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		4 TYR A 241
TRP A 245
TYR A 181
THR A 171
 None
 1.46A 5mwuA-1iubA:
0.0		 5mwuA-1iubA:
19.72
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.
1r9l GLYCINE
BETAINE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF04069
(OpuAC) 		4 TYR A 191
MET A 170
TRP A 188
THR A 134
 None
None
BET  A1001 (-3.7A)
None
 1.48A 5mwuA-1r9lA:
7.0		 5mwuA-1r9lA:
21.23
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C)
PF02665
(Nitrate_red_gam) 		4 TYR B 202
ARG C 222
TRP A  31
TYR A  35
 None
 1.46A 5mwuA-3egwB:
undetectable		 5mwuA-3egwB:
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.
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 TYR A  64
ARG A  61
TYR A 223
THR A 175
 GLU  A 506 (-4.6A)
None
GLU  A 506 (-3.4A)
GLU  A 506 (-3.0A)
 1.47A 5mwuA-3lmkA:
1.7		 5mwuA-3lmkA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		8 TYR A  22
MET A  27
ARG A  97
TRP A 100
ARG A 137
TRP A 398
TYR A 402
THR A 490
 BHR  A 520 (-4.2A)
BHR  A 520 (-3.7A)
BHR  A 520 ( 2.9A)
BHR  A 520 (-3.5A)
BHR  A 520 (-3.8A)
BHR  A 520 (-3.8A)
BHR  A 520 ( 4.6A)
BHR  A 520 (-4.4A)
 0.19A 5mwuA-3mzbA:
61.1		 5mwuA-3mzbA:
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 4 TYR A 299
TRP A 364
ARG A 361
TYR A 292
 None
 1.35A 5mwuA-3pf7A:
0.0		 5mwuA-3pf7A:
21.47
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		4 TYR A 453
ARG A 182
TYR A 326
THR A 295
 GDU  A 802 (-4.8A)
GDU  A 802 (-3.5A)
None
FDA  A 600 ( 3.9A)
 1.42A 5mwuA-3ukfA:
undetectable		 5mwuA-3ukfA:
23.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		5 TYR A  20
MET A  25
TRP A  98
ARG A 135
TYR A 400
 GOL  A 608 ( 4.5A)
GOL  A 601 (-3.5A)
GOL  A 608 (-3.8A)
None
None
 0.84A 5mwuA-4oerA:
38.6		 5mwuA-4oerA:
64.34
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 MET A 136
ARG A 202
TYR A 110
THR A 128
 None
 1.29A 5mwuA-4qn9A:
undetectable		 5mwuA-4qn9A:
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.
5kta FDHC

(Acinetobacter
nosocomialis) 		PF13302
(Acetyltransf_3) 		4 TRP A  50
ARG A  28
TYR A  65
THR A  79
 DMS  A 204 (-3.4A)
SO4  A 202 (-3.1A)
DMS  A 204 (-4.5A)
None
 1.26A 5mwuA-5ktaA:
0.3		 5mwuA-5ktaA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ARG A 918
ARG A 896
TYR A1168
THR A1100
 None
 1.38A 5mwuA-5ngyA:
undetectable		 5mwuA-5ngyA:
18.50
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 TYR A 400
ARG A 404
ARG A 475
TRP A 469
 PC  A 702 (-4.5A)
PC  A 702 (-3.9A)
None
None
 1.42A 5mwuA-5wp4A:
undetectable		 5mwuA-5wp4A:
23.43
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 ARG A 306
ARG A 484
TYR A 223
THR A 535
 None
 1.36A 5mwuA-5xmjA:
1.9		 5mwuA-5xmjA:
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.
5yh5 NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 TYR A  27
MET A  31
TRP A 103
ARG A 140
TYR A 410
 PEG  A 604 ( 4.7A)
PEG  A 604 ( 3.7A)
None
PEG  A 604 (-3.8A)
None
 0.69A 5mwuA-5yh5A:
30.7		 5mwuA-5yh5A:
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.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 4 ARG A 345
TRP A 342
TRP A  24
THR A 268
 None
 1.49A 5mwuA-6g9oA:
undetectable		 5mwuA-6g9oA:
undetectable