SIMILAR PATTERNS OF AMINO ACIDS FOR 2X45_A_HSMA1162

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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 GLU A 334
ASP A 269
HIS A 268
GLU A 228
 GOL  A1450 ( 4.1A)
None
None
None
 1.34A 2x45A-1h4pA:
0.0		 2x45A-1h4pA:
13.27
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLU A 270
ASP A 142
HIS A  69
GLU A  72
 None
None
ZN  A 400 (-3.9A)
ZN  A 400 (-2.1A)
 1.18A 2x45A-1kwmA:
0.0		 2x45A-1kwmA:
14.86
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 GLU A 175
ASP A 150
HIS A  78
GLU A 174
 None
 1.34A 2x45A-1miqA:
0.0		 2x45A-1miqA:
17.13
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLU A  56
ASP A  92
HIS A  86
GLU A 174
 None
 1.27A 2x45A-1qgzA:
0.0		 2x45A-1qgzA:
19.66
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 GLU A 134
ASP A 109
HIS A 112
GLU A 120
 None
MG  A 506 (-2.9A)
None
None
 1.42A 2x45A-2dqbA:
undetectable		 2x45A-2dqbA:
13.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x46 ALLERGEN ARG R 1

(Argas reflexus) 		PF02098
(His_binding) 		4 GLU A  47
ASP A  97
HIS A 114
GLU A 119
 None
 1.04A 2x45A-2x46A:
29.7		 2x45A-2x46A:
99.31
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.
2y9y ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF15612
(WHIM1) 		4 GLU B 209
ASP B 633
HIS B 632
GLU B 629
 None
 1.47A 2x45A-2y9yB:
0.0		 2x45A-2y9yB:
12.66
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		4 GLU A 179
ASP A 380
HIS A 383
GLU A 251
 None
BMA  A 501 ( 4.5A)
BMA  A 501 (-3.9A)
BMA  A 501 (-2.8A)
 1.27A 2x45A-2zblA:
0.0		 2x45A-2zblA:
14.18
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.
3chx PMOA
PMOC

(Methylosinus
trichosporium) 		PF02461
(AMO)
PF04896
(AmoC) 		4 GLU B 206
ASP C 141
HIS C 146
GLU C 149
 None
None
CU  C 661 (-3.1A)
None
 1.34A 2x45A-3chxB:
0.0		 2x45A-3chxB:
21.15
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.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		4 GLU A 309
ASP A 282
HIS A 264
GLU A 265
 None
None
GLA  A 375 (-4.0A)
GLA  A 375 ( 4.4A)
 1.23A 2x45A-3r4zA:
0.0		 2x45A-3r4zA:
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 334
ASP A 324
HIS A 327
GLU A 330
 None
 1.32A 2x45A-3sheA:
undetectable		 2x45A-3sheA:
19.58
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.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		4 GLU A 115
ASP A 143
HIS A  63
GLU A  60
 OCD  A 500 (-3.5A)
None
None
OCD  A 500 (-3.2A)
 1.31A 2x45A-5k52A:
undetectable		 2x45A-5k52A:
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.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 GLU B 282
ASP B 174
HIS B 261
GLU B 278
 None
 1.47A 2x45A-5y6qB:
undetectable		 2x45A-5y6qB:
17.14
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.
6f79 -

(-) 		no annotation 4 GLU A 277
ASP A 144
HIS A  69
GLU A  72
 0X9  A 407 (-3.2A)
0X9  A 407 ( 4.9A)
ZN  A 401 ( 3.1A)
ZN  A 401 ( 1.9A)
 1.48A 2x45A-6f79A:
undetectable		 2x45A-6f79A:
undetectable