SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFT_E_QMRE301

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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 VAL A 159
ILE A 207
VAL A 149
TYR A 213
CYH A 215
 None
 1.14A 4aftA-3juxA:
0.0
4aftE-3juxA:
0.0		 4aftA-3juxA:
13.52
4aftE-3juxA:
13.52
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.
3opw DNA
DAMAGE-RESPONSIVE
TRANSCRIPTIONAL
REPRESSOR RPH1

(Saccharomyces
cerevisiae) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 VAL A  46
ILE A 244
TYR A 242
CYH A  31
TYR A 318
 None
 1.36A 4aftA-3opwA:
0.0
4aftE-3opwA:
0.0		 4aftA-3opwA:
20.11
4aftE-3opwA:
20.11
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 VAL A 166
MET A 170
TYR A 248
VAL A 191
CYH A 308
 None
None
None
None
GST  A 511 (-3.4A)
 1.23A 4aftA-3v1vA:
undetectable
4aftE-3v1vA:
undetectable		 4aftA-3v1vA:
18.08
4aftE-3v1vA:
18.08
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 VAL A 187
ILE A 123
TYR A 119
VAL A 178
TYR A 163
 None
 1.34A 4aftA-4gvlA:
0.0
4aftE-4gvlA:
0.0		 4aftA-4gvlA:
16.59
4aftE-4gvlA:
16.59
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 VAL A 187
ILE A 123
TYR A 119
VAL A 178
TYR A 163
 None
 1.39A 4aftA-4gx0A:
0.0
4aftE-4gx0A:
0.0		 4aftA-4gx0A:
16.79
4aftE-4gx0A:
16.79
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 547
MET A 586
ILE A 424
VAL A 435
TYR A 370
 None
 1.16A 4aftA-5lewA:
0.0
4aftE-5lewA:
0.0		 4aftA-5lewA:
13.04
4aftE-5lewA:
13.04