SIMILAR PATTERNS OF AMINO ACIDS FOR 3KDM_B_TESB226

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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
ALA A 125
TYR A 129
ASP A 121
TYR A 112
 None
 1.44A 3kdmA-1bueA:
0.2
3kdmB-1bueA:
0.0		 3kdmA-1bueA:
20.47
3kdmB-1bueA:
22.85
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
ALA A 125
TYR A 129
ASP A 121
TYR A 112
 None
 1.47A 3kdmA-1dy6A:
0.2
3kdmB-1dy6A:
0.0		 3kdmA-1dy6A:
21.01
3kdmB-1dy6A:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fh5 MONOCLONAL ANTIBODY
MAK33

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  44
TYR H  56
ASP H  96
TYR H  30
MET H 107
 None
 1.37A 3kdmA-1fh5H:
14.9
3kdmB-1fh5H:
23.2		 3kdmA-1fh5H:
30.36
3kdmB-1fh5H:
67.28
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.
4igo OS05G0196500 PROTEIN

(Oryza sativa) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 PRO A 453
TRP A 393
ALA A 483
TYR A 415
TYR A 306
 None
 1.40A 3kdmA-4igoA:
0.0
3kdmB-4igoA:
0.0		 3kdmA-4igoA:
21.10
3kdmB-4igoA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b71 SKY59 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP B  48
ALA B  51
TYR B  60
ASP B 100
MET B 110
 None
 1.23A 3kdmA-5b71B:
14.8
3kdmB-5b71B:
20.5		 3kdmA-5b71B:
30.67
3kdmB-5b71B:
76.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yoy GOLIMUMAB HEAVY
CHAIN VARIABLE
REGION
GOLIMUMAB LIGHT
CHAIN VARIABLE
REGION

(Homo sapiens) 		no annotation 5 PRO D  96
TRP G  47
ASP G  99
TYR G 109
MET G 113
 None
 1.12A 3kdmA-5yoyD:
18.2
3kdmB-5yoyD:
14.0		 3kdmA-5yoyD:
44.79
3kdmB-5yoyD:
21.98