SIMILAR PATTERNS OF AMINO ACIDS FOR 1KQE_A_DVAA8_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.
1ap8 TRANSLATION
INITIATION FACTOR
EIF4E

(Saccharomyces
cerevisiae) 		PF01652
(IF4E) 		4 VAL A 153
TRP A  58
ALA A 164
TRP A 104
 None
M7G  A 214 (-2.9A)
None
M7G  A 214 (-3.1A)
 1.39A 1kqeA-1ap8A:
undetectable
1kqeE-1ap8A:
undetectable		 1kqeA-1ap8A:
8.55
1kqeE-1ap8A:
8.55
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.
1uso HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Thermus
thermophilus) 		PF01329
(Pterin_4a) 		4 VAL A  51
TRP A   3
ALA A  28
TRP A  55
 None
 1.49A 1kqeA-1usoA:
undetectable
1kqeE-1usoA:
undetectable		 1kqeA-1usoA:
9.38
1kqeE-1usoA:
9.38
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 VAL A 345
TRP A 135
ALA A 346
TRP A 141
 None
 1.40A 1kqeA-2b2iA:
undetectable
1kqeE-2b2iA:
undetectable		 1kqeA-2b2iA:
6.71
1kqeE-2b2iA:
6.71
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		4 VAL A 394
TRP A 401
TRP A 153
ALA A 395
 None
 1.35A 1kqeA-2d6fA:
undetectable
1kqeE-2d6fA:
undetectable		 1kqeA-2d6fA:
2.27
1kqeE-2d6fA:
2.27
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 VAL A  10
TRP A   6
ALA A  11
TRP A   5
 None
 1.37A 1kqeA-2ze0A:
undetectable
1kqeE-2ze0A:
undetectable		 1kqeA-2ze0A:
2.87
1kqeE-2ze0A:
2.87
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.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 195
TRP A 161
ALA A 108
TRP A 159
 None
 1.12A 1kqeA-4jz2A:
undetectable
1kqeE-4jz2A:
undetectable		 1kqeA-4jz2A:
5.22
1kqeE-4jz2A:
5.22
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 VAL P 230
TRP P 268
ALA P 199
TRP P 272
 None
 1.33A 1kqeA-4s2tP:
undetectable
1kqeE-4s2tP:
undetectable		 1kqeA-4s2tP:
3.22
1kqeE-4s2tP:
3.22
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.
5m7q NANOBODY NBD2

(Camelus
dromedarius) 		no annotation 4 VAL B  45
TRP B 108
ALA B  46
TRP B 105
 None
CL  B 204 ( 4.1A)
None
None
 1.11A 1kqeA-5m7qB:
undetectable
1kqeE-5m7qB:
undetectable		 1kqeA-5m7qB:
7.14
1kqeE-5m7qB:
7.14