SIMILAR PATTERNS OF AMINO ACIDS FOR 5EDL_A_VIBA201

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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TYR X  10
TRP X 448
ILE X 430
SER X 590
ARG X 110
 None
None
2MD  X 801 (-4.2A)
2MD  X 801 (-3.2A)
2MD  X 801 (-4.4A)
 1.47A 5edlA-2iv2X:
0.6		 5edlA-2iv2X:
15.24
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 TYR A 349
GLU A 354
VAL A 317
ASP A 323
SER A 322
 None
 1.32A 5edlA-2o4cA:
0.0		 5edlA-2o4cA:
22.25
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.
2q7b ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
agalactiae) 		PF00583
(Acetyltransf_1) 		5 TYR A  47
VAL A  17
ILE A  20
GLN A  37
SER A  66
 None
None
None
FLC  A 164 (-4.4A)
None
 1.43A 5edlA-2q7bA:
0.0		 5edlA-2q7bA:
19.61
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.
2vxk GLUCOSAMINE
6-PHOSPHATE
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		PF00583
(Acetyltransf_1) 		5 TYR A  62
TRP A  80
GLU A  85
ILE A  87
SER A 111
 None
 1.39A 5edlA-2vxkA:
undetectable		 5edlA-2vxkA:
25.47
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.
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2

(Homo sapiens) 		PF01852
(START) 		5 TYR A 456
ILE A 490
SER A 530
TYR A 546
ARG A 449
 None
None
1PE  A   2 ( 4.3A)
1PE  A   2 (-4.0A)
1PE  A   2 (-2.8A)
 1.09A 5edlA-3fo5A:
undetectable		 5edlA-3fo5A:
21.74
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.
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2

(Homo sapiens) 		PF01852
(START) 		5 TYR A 456
VAL A 489
ILE A 490
TYR A 546
ARG A 449
 None
None
None
1PE  A   2 (-4.0A)
1PE  A   2 (-2.8A)
 1.24A 5edlA-3fo5A:
undetectable		 5edlA-3fo5A:
21.74
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 GLU A2098
GLU A2109
ILE A2133
TYR A2034
ARG A2041
 None
 1.24A 5edlA-4o9xA:
undetectable		 5edlA-4o9xA:
6.51