SIMILAR PATTERNS OF AMINO ACIDS FOR 1NW3_A_SAMA500_1

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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		4 THR A  78
GLN A  24
GLU A 235
ASP A 278
 None
 1.35A 1nw3A-1l2qA:
0.0		 1nw3A-1l2qA:
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.
1ssq SERINE
ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		4 THR A 113
GLN A 129
GLU A 162
ASP A 187
 None
 1.49A 1nw3A-1ssqA:
0.0		 1nw3A-1ssqA:
19.76
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 THR A  93
GLN A  91
GLU A  57
ASP A 189
 None
 1.10A 1nw3A-1ulvA:
0.0		 1nw3A-1ulvA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa8 ESAT-6 LIKE PROTEIN
ESXB

(Mycobacterium
bovis) 		PF06013
(WXG100) 		4 THR A   9
GLN A  12
GLU A  18
ASP A  69
 None
 1.34A 1nw3A-1wa8A:
undetectable		 1nw3A-1wa8A:
13.92
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		4 THR A 316
GLN A 315
GLU A 308
ASP A 302
 None
 1.38A 1nw3A-2ho5A:
2.5		 1nw3A-2ho5A:
21.38
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.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLN A1270
GLU A1518
ASP A1520
 None
 1.35A 1nw3A-3bqlA:
0.0		 1nw3A-3bqlA:
22.48
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.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		4 THR A 360
GLN A 283
GLU A 225
ASP A 152
 None
None
EDO  A  21 (-2.8A)
None
 1.45A 1nw3A-3eu8A:
undetectable		 1nw3A-3eu8A:
22.04
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 THR A 155
GLN A 151
GLU A 174
ASP A 170
 None
 1.49A 1nw3A-3nzuA:
0.0		 1nw3A-3nzuA:
18.39
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		4 THR A 138
GLN A 123
GLU A  19
ASP A  53
 None
 1.36A 1nw3A-4ofwA:
0.1		 1nw3A-4ofwA:
21.35
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		4 THR A 331
GLN A 316
GLU A 212
ASP A 246
 None
 1.35A 1nw3A-4ofwA:
0.1		 1nw3A-4ofwA:
21.35
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.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLN A1270
GLU A1518
ASP A1520
 None
 1.46A 1nw3A-4p1tA:
0.0		 1nw3A-4p1tA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		4 THR A 370
GLN A 293
GLU A 235
ASP A 162
 None
None
ACT  A 502 ( 2.9A)
None
 1.45A 1nw3A-4qt9A:
undetectable		 1nw3A-4qt9A:
23.23
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 THR A 107
GLN A 111
GLU A 198
ASP A 215
 None
 1.39A 1nw3A-4tvmA:
0.8		 1nw3A-4tvmA:
19.92
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 THR A  41
GLN A  42
GLU A 483
ASP A 476
 None
 1.47A 1nw3A-5g2vA:
0.4		 1nw3A-5g2vA:
21.07
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.
5guh PIWI

(Bombyx mori) 		PF02170
(PAZ)
PF02171
(Piwi) 		4 THR A 149
GLN A 492
GLU A 496
ASP A 658
 None
 1.30A 1nw3A-5guhA:
undetectable		 1nw3A-5guhA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A 702
GLN A 701
GLU A 694
ASP A 689
 None
 1.49A 1nw3A-5gxuA:
3.7		 1nw3A-5gxuA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 THR A  27
GLN A 368
GLU A 197
ASP A 394
 None
 1.37A 1nw3A-5hl4A:
undetectable		 1nw3A-5hl4A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kut MITOCHONDRIAL RHO
GTPASE 2

(Homo sapiens) 		no annotation 4 THR A 446
GLN A 434
GLU A 471
ASP A 475
 None
None
MG  A 602 ( 2.5A)
None
 1.26A 1nw3A-5kutA:
undetectable		 1nw3A-5kutA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 THR H 107
GLN H 105
GLU H  23
ASP H  72
 None
 1.42A 1nw3A-5uemH:
undetectable		 1nw3A-5uemH:
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.
6a8m -

(-) 		no annotation 4 THR A 424
GLN A 422
GLU A 181
ASP A   8
 None
 1.47A 1nw3A-6a8mA:
undetectable		 1nw3A-6a8mA:
undetectable