SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKI_F_KANF301_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.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 ASP A 190
ARG A 211
GLU A 230
ASP A 261
GLU A 262
 KAN  A   1 (-3.2A)
None
KAN  A   1 (-2.8A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 1.02A 4gkiF-1l8tA:
27.7		 4gkiF-1l8tA:
31.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		6 ASP A 157
ASP A 159
ASP A 190
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.75A 4gkiF-1nd4A:
31.7		 4gkiF-1nd4A:
33.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 159
ARG A 211
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.2A)
KAN  A1300 (-2.6A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 1.47A 4gkiF-1nd4A:
31.7		 4gkiF-1nd4A:
33.94
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASP A 324
ARG A 269
ASN A 312
GLU A 295
ASP A 310
 NA  A 491 (-3.0A)
FAD  A 490 ( 3.9A)
NA  A 491 (-2.6A)
None
FAD  A 490 (-3.0A)
 1.10A 4gkiF-3ic9A:
0.0		 4gkiF-3ic9A:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		8 ASP A 165
ASP A 167
ASP A 198
ASN A 234
CYH A 235
GLU A 238
ASP A 268
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
None
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.57A 4gkiF-4gkhA:
39.8		 4gkiF-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		5 ASP A 167
ARG A 148
ASN A 234
ASP A 268
GLU A 269
 KAN  A 301 (-3.3A)
None
KAN  A 301 (-3.9A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 1.38A 4gkiF-4gkhA:
39.8		 4gkiF-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		5 ASP A 167
ARG A 219
ASN A 234
ASP A 268
GLU A 269
 KAN  A 301 (-3.3A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 1.17A 4gkiF-4gkhA:
39.8		 4gkiF-4gkhA:
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASP A 130
ASP A 127
ARG A 163
GLU A 490
GLU A 161
 None
ZN  A 601 ( 3.7A)
None
FE  A 602 (-3.5A)
None
 1.48A 4gkiF-4oraA:
0.0		 4gkiF-4oraA:
20.30