SIMILAR PATTERNS OF AMINO ACIDS FOR 3LSK_A_ACTA901

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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 GLN A 232
PHE A 250
HIS A 317
ASN A 318
 SO4  A 801 (-3.1A)
None
SO4  A 801 (-4.3A)
SO4  A 801 (-3.8A)
 1.34A 3lskA-2yheA:
0.0		 3lskA-2yheA:
23.12
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 GLN A3069
PHE A3043
HIS A3105
ASN A3106
 None
 1.39A 3lskA-3hwcA:
0.0		 3lskA-3hwcA:
22.32
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		4 SER A 119
GLN A  92
HIS A  57
ASN A 180
 None
 1.38A 3lskA-4f85A:
1.8		 3lskA-4f85A:
18.94
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.
4k3z D-ERYTHRULOSE
4-PHOSPHATE
DEHYDROGENASE

(Brucella
melitensis) 		no annotation 4 SER A  71
PHE A 158
HIS A 227
ASN A   8
 None
 0.83A 3lskA-4k3zA:
0.0		 3lskA-4k3zA:
21.57
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 4 SER A 113
GLN A 165
HIS A 268
ASN A 108
 MG  A 603 ( 2.0A)
MG  A 603 (-2.7A)
None
ADP  A 601 (-3.9A)
 1.49A 3lskA-5yv5A:
0.4		 3lskA-5yv5A:
undetectable