SIMILAR PATTERNS OF AMINO ACIDS FOR 3REQ_A_ADNA801_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
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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR
C-TYPE NATRIURETIC
PEPTIDE

(Homo sapiens) 		PF00212
(ANP)
PF01094
(ANF_receptor) 		4 TYR A  93
TYR A 169
GLU A 173
GLY H  19
 None
 1.36A 3reqA-1jdpA:
5.1		 3reqA-1jdpA:
20.44
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.
1s4e GALACTOKINASE

(Pyrococcus
furiosus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 TYR A  21
TYR A 240
GLU A 244
GLY A  16
 GLA  A 500 ( 4.9A)
None
None
None
 1.39A 3reqA-1s4eA:
undetectable		 3reqA-1s4eA:
19.20
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		4 TYR A 150
TYR A 211
GLU A 223
GLY A  75
 None
 1.34A 3reqA-1svvA:
4.7		 3reqA-1svvA:
19.16
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 TYR A1480
TYR A1445
GLU A1432
GLY A1008
 None
 1.37A 3reqA-2b39A:
0.4		 3reqA-2b39A:
18.94
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 TYR A 818
TYR A 835
GLU A 833
GLY A 831
 None
 1.31A 3reqA-2b3xA:
3.0		 3reqA-2b3xA:
23.10
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.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 TYR A  19
TYR A 238
GLU A 242
GLY A  14
 GLA  A 401 ( 4.9A)
None
None
None
 1.47A 3reqA-2dejA:
undetectable		 3reqA-2dejA:
18.67
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.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 TYR A 385
TYR A  49
GLU A  71
GLY A  42
 None
 1.48A 3reqA-2vd9A:
3.4		 3reqA-2vd9A:
20.05
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 TYR A 602
TYR A 668
GLU A 672
GLY A 712
 None
 1.15A 3reqA-3kflA:
2.5		 3reqA-3kflA:
22.31
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		4 TYR A  98
TYR A 131
GLU A 199
GLY A 198
 ALA  A 401 (-4.3A)
EDO  A 402 (-3.7A)
None
ALA  A 401 (-4.0A)
 1.35A 3reqA-4whxA:
undetectable		 3reqA-4whxA:
19.61
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		4 TYR A  91
TYR A 124
GLU A 188
GLY A 187
 None
None
None
PLP  A 301 ( 4.3A)
 1.23A 3reqA-5ce8A:
undetectable		 3reqA-5ce8A:
19.19
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 TYR A 634
TYR A 700
GLU A 704
GLY A 744
 None
 1.33A 3reqA-5nfhA:
3.1		 3reqA-5nfhA:
22.78
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.
5tz8 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		4 TYR A 222
TYR A 312
GLU A 316
GLY A 261
 None
 1.31A 3reqA-5tz8A:
0.8		 3reqA-5tz8A:
22.15
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.
5tzk GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		4 TYR C 222
TYR C 312
GLU C 316
GLY C 261
 None
 1.28A 3reqA-5tzkC:
3.2		 3reqA-5tzkC:
20.08