SIMILAR PATTERNS OF AMINO ACIDS FOR 4WNV_C_QI9C602_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
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 PHE A 368
ASP A 367
VAL A  20
VAL A   8
PHE A  22
 None
GOL  A 973 (-3.6A)
None
None
None
 1.46A 4wnvC-1fw8A:
0.0		 4wnvC-1fw8A:
23.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 121
ASP A 301
SER A 304
THR A 309
PHE A 483
 None
None
None
HEM  A 600 (-3.5A)
None
 1.22A 4wnvC-2f9qA:
55.1		 4wnvC-2f9qA:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		6 PHE A 120
LEU A 121
ASP A 301
SER A 304
THR A 309
VAL A 370
 HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
 0.60A 4wnvC-2f9qA:
55.1		 4wnvC-2f9qA:
99.37
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.
2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 PHE A  84
SER A 137
VAL A  47
VAL A 162
PHE A  79
 None
 1.26A 4wnvC-2jlpA:
0.0		 4wnvC-2jlpA:
19.44
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 LEU A  67
ASP A   3
THR A  36
VAL A  42
VAL A  14
 None
 1.28A 4wnvC-2ld4A:
0.0		 4wnvC-2ld4A:
17.26
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.
2vvd SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 5 PHE A 211
LEU A 206
ASP A 320
SER A 318
VAL A 286
 None
 1.39A 4wnvC-2vvdA:
undetectable		 4wnvC-2vvdA:
14.71
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.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 5 PHE A 210
LEU A 205
ASP A 319
SER A 317
VAL A 285
 None
 1.32A 4wnvC-2vveA:
undetectable		 4wnvC-2vveA:
19.38
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PHE A 120
LEU A 309
SER A 285
VAL A  63
VAL A 169
 None
None
None
None
CSO  A  13 ( 3.6A)
 1.31A 4wnvC-3il4A:
0.1		 4wnvC-3il4A:
20.46
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.
3ruy ORNITHINE
AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 LEU A 176
THR A 187
VAL A 221
VAL A 215
PHE A 223
 None
 1.28A 4wnvC-3ruyA:
0.0		 4wnvC-3ruyA:
22.51
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 PHE A  22
ASP A  21
VAL A  89
VAL A  77
PHE A  91
 None
GOL  A1404 (-2.7A)
GOL  A1405 (-4.1A)
None
None
 1.47A 4wnvC-3zlbA:
0.0		 4wnvC-3zlbA:
23.03
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 PHE A  22
ASP A  21
VAL A  89
VAL A  77
PHE A  91
 None
 1.44A 4wnvC-4dg5A:
0.0		 4wnvC-4dg5A:
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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 PHE A 319
LEU A 284
THR A 295
VAL A 276
VAL A 278
 None
 1.38A 4wnvC-4pxlA:
0.7		 4wnvC-4pxlA:
21.68
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) 		5 LEU A 384
ASP A 323
SER A 319
VAL A 338
PHE A 392
 None
 1.41A 4wnvC-4q73A:
3.6		 4wnvC-4q73A:
19.60
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 PHE A 236
LEU A 152
THR A 255
VAL A  61
VAL A 110
 None
 1.48A 4wnvC-4xukA:
undetectable		 4wnvC-4xukA:
20.17
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.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		5 PHE A 292
ASP A 294
SER A 371
VAL A 315
VAL A 337
 None
 1.39A 4wnvC-5uvnA:
undetectable		 4wnvC-5uvnA:
20.18
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.
5wro ENOLASE

(Drosophila
melanogaster) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 183
ASP A 446
SER A 447
THR A 463
VAL A 412
 None
 1.38A 4wnvC-5wroA:
1.5		 4wnvC-5wroA:
20.12