SIMILAR PATTERNS OF AMINO ACIDS FOR 1AO8_A_MTXA170_2

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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 4 TRP L  36
LEU L  21
ARG L 522
THR L 509
 None
 1.29A 1ao8A-2frvL:
undetectable		 1ao8A-2frvL:
15.43
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		4 TRP A 140
LEU A  77
ARG A 382
THR A 323
 None
None
None
EDO  A1005 (-3.1A)
 1.31A 1ao8A-2pvzA:
0.0		 1ao8A-2pvzA:
16.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		4 TRP A   5
LEU A  19
ARG A  31
THR A  34
 None
MTX  A 164 (-4.5A)
None
None
 0.95A 1ao8A-3dfrA:
26.6		 1ao8A-3dfrA:
98.15
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.
3n3a PROTEIN NRDI

(Escherichia
coli) 		PF07972
(Flavodoxin_NdrI) 		4 TRP C 105
LEU C  75
ARG C  27
THR C  14
 None
None
None
FMN  C 134 (-3.5A)
 1.50A 1ao8A-3n3aC:
0.8		 1ao8A-3n3aC:
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		4 TRP Q  43
LEU Q  28
ARG Q 535
THR Q 522
 None
 1.34A 1ao8A-4upeQ:
undetectable		 1ao8A-4upeQ:
17.92
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.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		4 TRP A 264
LEU A  33
ARG A 339
THR A 338
 T6T  A 501 (-2.9A)
None
None
None
 1.33A 1ao8A-5ci5A:
0.0		 1ao8A-5ci5A:
18.46
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.
5v6y MALTOSE-BINDING
PERIPLASMIC
PROTEIN,RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 1,CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR

(Escherichia
coli;
Homo sapiens) 		no annotation 4 TRP A1074
LEU A1036
ARG A2067
THR A2068
 None
 1.30A 1ao8A-5v6yA:
0.0		 1ao8A-5v6yA:
19.23
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 4 TRP A 228
LEU A  53
ARG A 145
THR A 147
 None
 1.49A 1ao8A-6ax8A:
0.0		 1ao8A-6ax8A:
15.85
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 4 TRP B 460
LEU B 491
ARG B 244
THR B 279
 None
 1.50A 1ao8A-6crjB:
0.0		 1ao8A-6crjB:
18.47
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 TRP L  32
LEU L  17
ARG L 538
THR L 525
 None
 1.39A 1ao8A-6ehsL:
undetectable		 1ao8A-6ehsL:
17.88