SIMILAR PATTERNS OF AMINO ACIDS FOR 3LUS_B_X8ZB1001

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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		5 ALA A 255
TYR A 160
PRO A 233
PRO A 236
GLU A 235
 None
 1.41A 3lusA-3gwbA:
1.9
3lusB-3gwbA:
0.0		 3lusA-3gwbA:
17.06
3lusB-3gwbA:
17.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i07 ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Vibrio cholerae) 		PF02566
(OsmC) 		5 TYR A  37
PRO A  38
PRO A  50
GLU A  51
PHE A  96
 None
 0.60A 3lusA-3i07A:
21.2
3lusB-3i07A:
22.3		 3lusA-3i07A:
100.00
3lusB-3i07A:
100.00
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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 ASN A  87
ALA A  86
TYR A  54
PRO A 257
PRO A  90
 None
 1.36A 3lusA-3n0lA:
1.0
3lusB-3n0lA:
0.0		 3lusA-3n0lA:
17.52
3lusB-3n0lA:
17.52
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ASN A  92
ALA A  91
TYR A  59
PRO A 263
PRO A  95
 None
 1.40A 3lusA-4j5uA:
0.9
3lusB-4j5uA:
0.0		 3lusA-4j5uA:
17.03
3lusB-4j5uA:
17.03
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ASN A 373
ALA A 374
PRO A 333
PRO A 330
PHE A 379
 None
 1.17A 3lusA-4lihA:
0.8
3lusB-4lihA:
0.0		 3lusA-4lihA:
15.48
3lusB-4lihA:
15.48
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 ASN A  92
ALA A  91
TYR A  59
PRO A 264
PRO A  95
 GOL  A 508 (-3.8A)
GOL  A 508 (-4.8A)
GOL  A 508 (-3.0A)
None
None
 1.40A 3lusA-4p3mA:
0.7
3lusB-4p3mA:
1.1		 3lusA-4p3mA:
17.90
3lusB-4p3mA:
17.90
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 ASN A  91
ALA A  90
TYR A  58
PRO A 263
PRO A  94
 None
 1.36A 3lusA-5vmbA:
0.9
3lusB-5vmbA:
0.0		 3lusA-5vmbA:
17.65
3lusB-5vmbA:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d9n ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Elizabethkingia
anophelis) 		no annotation 5 TYR A  32
PRO A  33
PRO A  46
GLU A  47
PHE A  92
 None
None
SCN  A 202 ( 4.3A)
SCN  A 202 (-3.5A)
None
 0.61A 3lusA-6d9nA:
17.0
3lusB-6d9nA:
18.3		 3lusA-6d9nA:
41.46
3lusB-6d9nA:
41.46