SIMILAR PATTERNS OF AMINO ACIDS FOR 3R2C_A_ACTA153_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.
1h14 ENDO-1,4-BETA-XYLANA
SE

(Pseudoalteromonas
haloplanktis) 		PF01270
(Glyco_hydro_8) 		4 ASN A 382
GLY A 343
GLU A 342
LYS A 345
 None
 1.05A 3r2cA-1h14A:
1.6		 3r2cA-1h14A:
17.42
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.
1q4x THYROID HORMONE
RECEPTOR BETA-1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ASN A 331
GLY A 332
GLU A 333
LYS A 242
 None
G24  A 462 (-4.8A)
None
None
 1.27A 3r2cA-1q4xA:
1.9		 3r2cA-1q4xA:
20.39
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.
2a8k COLICIN E5

(Escherichia
coli) 		PF12106
(Colicin_E5) 		4 ASN A  77
GLY A  81
GLU A  82
LYS A  13
 None
 1.11A 3r2cA-2a8kA:
undetectable		 3r2cA-2a8kA:
21.53
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.
2mgp MEROZOITE SURFACE
PROTEIN 1

(Plasmodium
yoelii) 		PF12946
(EGF_MSP1_1)
PF12947
(EGF_3) 		4 ASN A  73
GLY A  35
GLU A  46
LYS A  37
 None
 1.41A 3r2cA-2mgpA:
undetectable		 3r2cA-2mgpA:
23.62
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ASN A 352
GLY A 354
GLU A 355
LYS A 358
 None
 0.65A 3r2cA-2zygA:
1.2		 3r2cA-2zygA:
15.42
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.
3blx ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		4 ASN B 244
GLY B 140
GLU B 141
LYS B 158
 None
 1.48A 3r2cA-3blxB:
1.5		 3r2cA-3blxB:
17.98
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		4 ASN A 145
GLY A 147
GLU A 148
LYS A 151
 None
 0.94A 3r2cA-3g3lA:
0.2		 3r2cA-3g3lA:
18.30
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.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		4 ASN A  75
GLY A  76
GLU A  77
LYS A  66
 None
 1.45A 3r2cA-3qm3A:
0.0		 3r2cA-3qm3A:
20.44
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ASN A 363
GLY A 586
GLU A 585
LYS A 353
 None
 1.34A 3r2cA-3s5kA:
0.3		 3r2cA-3s5kA:
7.80
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.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum) 		PF01264
(Chorismate_synt) 		4 ASN A 305
GLY A 298
GLU A 300
LYS A 295
 None
 1.25A 3r2cA-4ecdA:
0.0		 3r2cA-4ecdA:
16.58
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.
5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		4 ASN B 235
GLY B 133
GLU B 134
LYS B 151
 None
 1.39A 3r2cA-5grhB:
0.0		 3r2cA-5grhB:
18.51
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.
5xcb PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 4 ASN A  96
GLY A  97
GLU A  98
LYS A 101
 None
 1.50A 3r2cA-5xcbA:
undetectable		 3r2cA-5xcbA:
undetectable