SIMILAR PATTERNS OF AMINO ACIDS FOR 4KLA_B_CHDB501_0

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.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 MET A 350
ARG A 437
PRO A 363
MET A 361
 None
 1.11A 4klaB-2ovjA:
0.0		 4klaB-2ovjA:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		4 MET A  99
ARG A 114
PRO A 266
MET A 308
 CHD  A   2 (-4.0A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
None
 0.57A 4klaB-3aqiA:
59.2		 4klaB-3aqiA:
99.16
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		4 MET A 134
ARG A 146
ARG A 147
MET A  85
 None
 1.33A 4klaB-3isaA:
2.1		 4klaB-3isaA:
20.60
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.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A 314
ARG A 183
PRO A 279
MET A 299
 None
 1.37A 4klaB-4i6fA:
0.0		 4klaB-4i6fA:
21.88
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.
4s1k POLYHEDRIN

(Uranotaenia
sapphirina
cypovirus) 		PF17515
(CPV_Polyhedrin) 		4 MET A  61
ARG A  77
ARG A  90
PRO A  36
 None
 1.27A 4klaB-4s1kA:
0.0		 4klaB-4s1kA:
19.27
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		4 MET A 212
ARG A 299
PRO A 225
MET A 223
 None
 1.20A 4klaB-5c2kA:
2.0		 4klaB-5c2kA:
22.52
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.
5cb0 UNIVERSAL STRESS
PROTEIN E

(Escherichia
coli) 		PF00582
(Usp) 		4 MET A   7
ARG A  22
ARG A  23
PRO A 141
 None
None
Z6X  A 401 ( 4.1A)
None
 1.17A 4klaB-5cb0A:
3.0		 4klaB-5cb0A:
23.88