SIMILAR PATTERNS OF AMINO ACIDS FOR 1TJ2_A_ACTA2002_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LYS A 329
ALA A 436
TYR A 552
ARG A 555
ARG A 556
 PRO  A   1 (-2.8A)
FAD  A2001 (-3.3A)
PRO  A   1 (-4.7A)
PRO  A   1 (-3.8A)
PRO  A   1 (-2.8A)
 0.18A 1tj2A-3e2sA:
69.1		 1tj2A-3e2sA:
93.15
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 LYS A  98
ALA A 192
TYR A 288
ARG A 291
ARG A 292
 TFB  A2002 (-2.8A)
FAD  A2001 (-3.1A)
TFB  A2002 (-4.7A)
TFB  A2002 (-3.8A)
TFB  A2002 ( 2.6A)
 0.42A 1tj2A-4h6qA:
31.5		 1tj2A-4h6qA:
21.10
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 LYS A 203
ALA A 308
TYR A 418
ARG A 422
 P5F  A1101 (-1.3A)
P5F  A1101 (-3.2A)
None
None
 0.94A 1tj2A-4nmeA:
39.4		 1tj2A-4nmeA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LYS A 329
ALA A 436
TYR A 552
ARG A 555
ARG A 556
 2OP  A2002 (-2.7A)
FAD  A2001 ( 3.5A)
2OP  A2002 (-4.7A)
2OP  A2002 (-3.6A)
2OP  A2002 ( 2.8A)
 0.11A 1tj2A-4o8aA:
68.9		 1tj2A-4o8aA:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LYS A 237
ALA A 344
TYR A 453
ARG A 456
 None
FAD  A2001 (-3.6A)
None
None
 0.54A 1tj2A-4q73A:
46.0		 1tj2A-4q73A:
28.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LYS A 265
ALA A 372
TYR A 485
ARG A 488
ARG A 489
 TFB  A2003 (-2.8A)
FAD  A2001 (-3.5A)
TFB  A2003 (-4.9A)
TFB  A2003 (-3.8A)
TFB  A2003 ( 2.6A)
 0.37A 1tj2A-5kf7A:
62.5		 1tj2A-5kf7A:
32.28
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 LYS A 196
ALA A 303
TYR A 413
ARG A 417
 P5F  A1001 (-1.3A)
P5F  A1001 (-3.4A)
None
None
 0.98A 1tj2A-5ur2A:
39.9		 1tj2A-5ur2A:
20.95