SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_E_CUE3

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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 CYH A 289
SER A 285
SER A 677
ARG A 668
 None
 0.99A 1ekjE-2d3tA:
1.7
1ekjF-2d3tA:
0.0		 1ekjE-2d3tA:
14.85
1ekjF-2d3tA:
14.85
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 SER A 677
ARG A 668
CYH A 289
SER A 285
 None
 0.98A 1ekjE-2d3tA:
1.7
1ekjF-2d3tA:
0.0		 1ekjE-2d3tA:
14.85
1ekjF-2d3tA:
14.85
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.
2jq5 SEC-C MOTIF

(Rhodopseudomonas
palustris) 		PF02810
(SEC-C) 		4 CYH A   5
SER A  34
CYH A  14
SER A   7
 ZN  A 129 (-2.3A)
ZN  A 129 ( 4.9A)
ZN  A 129 (-2.3A)
ZN  A 129 ( 4.0A)
 1.25A 1ekjE-2jq5A:
0.0
1ekjF-2jq5A:
0.0		 1ekjE-2jq5A:
19.81
1ekjF-2jq5A:
19.81
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.
2jq5 SEC-C MOTIF

(Rhodopseudomonas
palustris) 		PF02810
(SEC-C) 		4 CYH A  14
SER A   7
CYH A   5
SER A  34
 ZN  A 129 (-2.3A)
ZN  A 129 ( 4.0A)
ZN  A 129 (-2.3A)
ZN  A 129 ( 4.9A)
 1.25A 1ekjE-2jq5A:
0.0
1ekjF-2jq5A:
0.0		 1ekjE-2jq5A:
19.81
1ekjF-2jq5A:
19.81
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 CYH B 297
CYH B 308
SER B 304
ARG B 330
 None
 1.38A 1ekjE-2w55B:
0.0
1ekjF-2w55B:
0.0		 1ekjE-2w55B:
14.87
1ekjF-2w55B:
14.87
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 CYH B 308
SER B 304
ARG B 330
CYH B 297
 None
 1.35A 1ekjE-2w55B:
0.0
1ekjF-2w55B:
0.0		 1ekjE-2w55B:
14.87
1ekjF-2w55B:
14.87
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus) 		PF00291
(PALP) 		4 CYH A  84
SER A  86
SER A  91
ARG A 162
 None
 1.35A 1ekjE-2zsjA:
0.0
1ekjF-2zsjA:
0.0		 1ekjE-2zsjA:
22.10
1ekjF-2zsjA:
22.10
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus) 		PF00291
(PALP) 		4 SER A  91
ARG A 162
CYH A  84
SER A  86
 None
 1.37A 1ekjE-2zsjA:
0.0
1ekjF-2zsjA:
0.0		 1ekjE-2zsjA:
22.10
1ekjF-2zsjA:
22.10
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.
3h0g DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Schizosaccharomyces
pombe) 		PF01194
(RNA_pol_N) 		4 CYH J   7
SER J   9
CYH J  44
ARG J  47
 ZN  J1066 (-2.2A)
ZN  J1066 (-2.9A)
ZN  J1066 (-2.1A)
None
 1.39A 1ekjE-3h0gJ:
undetectable
1ekjF-3h0gJ:
undetectable		 1ekjE-3h0gJ:
15.38
1ekjF-3h0gJ:
15.38