SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_C_SAMC301_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 LYS A  65
GLU A  87
SER A  95
ASP A 116
 SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
 0.19A 2br4C-2br4A:
35.7		 2br4C-2br4A:
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 LYS A 454
GLU A 348
SER A 375
ASP A 351
 None
 1.39A 2br4C-3e53A:
0.0		 2br4C-3e53A:
17.50
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 LYS A 175
GLU A 202
SER A 217
ASP A 234
 SAH  A 601 (-3.1A)
SAH  A 601 (-3.4A)
SAH  A 601 (-3.2A)
SAH  A 601 (-2.8A)
 0.76A 2br4C-3ssmA:
12.5		 2br4C-3ssmA:
23.08