SIMILAR PATTERNS OF AMINO ACIDS FOR 3IJX_D_HCZD800_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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 ILE A 231
PRO A 124
SER A 126
SER A 236
LEU A  53
 None
None
PO4  A 600 (-2.5A)
None
None
 1.28A 3ijxB-1eufA:
undetectable
3ijxD-1eufA:
0.0		 3ijxB-1eufA:
21.01
3ijxD-1eufA:
21.01
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.
2q3s PROTEIN AT5G06450

(Arabidopsis
thaliana) 		no annotation 5 ILE A  22
SER A   3
PRO A  32
SER A   1
LEU A  85
 None
 1.30A 3ijxB-2q3sA:
0.0
3ijxD-2q3sA:
0.0		 3ijxB-2q3sA:
23.16
3ijxD-2q3sA:
23.16
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.
2qk2 LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		5 ILE A 385
SER A 360
SER A 393
LEU A 367
SER A 400
 None
 1.40A 3ijxB-2qk2A:
0.0
3ijxD-2qk2A:
0.0		 3ijxB-2qk2A:
25.27
3ijxD-2qk2A:
25.27
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 104
SER A 267
SER A  49
LEU A 299
SER A 297
 None
 1.48A 3ijxB-3q4dA:
0.0
3ijxD-3q4dA:
0.0		 3ijxB-3q4dA:
21.63
3ijxD-3q4dA:
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 ILE A 277
SER A 280
SER A 216
LEU A 266
SER A 265
 None
None
K  A 342 (-2.8A)
None
None
 1.48A 3ijxB-3q9cA:
0.0
3ijxD-3q9cA:
0.4		 3ijxB-3q9cA:
20.62
3ijxD-3q9cA:
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		5 ILE A 203
PRO A 115
SER A 180
SER A 176
LEU A 191
 None
 1.36A 3ijxB-3tmgA:
13.2
3ijxD-3tmgA:
13.2		 3ijxB-3tmgA:
23.82
3ijxD-3tmgA:
23.82
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		5 ILE A 764
SER A 853
SER A 757
LEU A 676
SER A 672
 None
IOD  A1893 ( 4.5A)
None
None
None
 1.29A 3ijxB-4aioA:
0.0
3ijxD-4aioA:
0.0		 3ijxB-4aioA:
14.89
3ijxD-4aioA:
14.89
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 ILE A 245
PRO A 249
SER A 165
SER A 157
LEU A 242
 None
 1.49A 3ijxB-4rbnA:
0.0
3ijxD-4rbnA:
0.5		 3ijxB-4rbnA:
14.61
3ijxD-4rbnA:
14.61
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.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 5 ILE A 476
PRO A 469
SER A 466
SER A 450
LEU A 442
 None
 1.22A 3ijxB-5nfuA:
0.0
3ijxD-5nfuA:
undetectable		 3ijxB-5nfuA:
14.40
3ijxD-5nfuA:
14.40
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 5 ILE A 524
PRO A 523
SER A 643
SER A 152
LEU A 675
 None
 1.47A 3ijxB-5tr0A:
undetectable
3ijxD-5tr0A:
undetectable		 3ijxB-5tr0A:
15.52
3ijxD-5tr0A:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
SER A 497
LEU A 751
SER A 754
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-3.2A)
None
CYZ  A1302 ( 4.1A)
 0.94A 3ijxB-5weoA:
25.2
3ijxD-5weoA:
25.2		 3ijxB-5weoA:
66.93
3ijxD-5weoA:
66.93
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 ILE A 184
PRO A 185
PRO A 269
LEU A 100
SER A  19
 None
 1.30A 3ijxB-6cyzA:
undetectable
3ijxD-6cyzA:
undetectable		 3ijxB-6cyzA:
16.67
3ijxD-6cyzA:
16.67
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 ILE E 567
PRO E 568
LYS E 576
LEU E 580
SER E 582
 None
 1.23A 3ijxB-6d04E:
undetectable
3ijxD-6d04E:
undetectable		 3ijxB-6d04E:
22.35
3ijxD-6d04E:
22.35