SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ff1'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 6 ILE A 170
ALA A 172
THR A 174
ALA A 180
 None
 0.99A 1w0gA-3ff1A:
undetectable		 1w0gA-3ff1A:
22.71
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 4 VAL A 205
THR A 207
VAL A 199
GLY A 200
 None
 1.19A 2p2fB-3ff1A:
3.7		 2p2fB-3ff1A:
22.90
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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 7 TYR A  85
VAL A 109
TYR A 274
ILE A  92
 None
 1.35A 2xz5B-3ff1A:
undetectable
2xz5E-3ff1A:
undetectable		 2xz5B-3ff1A:
19.13
2xz5E-3ff1A:
19.13
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.
2XZ5_E_ACHE1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 7 ILE A  92
TYR A  85
VAL A 109
TYR A 274
 None
 1.32A 2xz5D-3ff1A:
undetectable
2xz5E-3ff1A:
undetectable		 2xz5D-3ff1A:
19.13
2xz5E-3ff1A:
19.13
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 TYR A 274
GLY A 210
VAL A 205
GLY A  87
VAL A  78
 None
 1.20A 3f8wB-3ff1A:
undetectable		 3f8wB-3ff1A:
23.01
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 ASN A 357
GLU A 269
VAL A 391
ILE A 380
ASN A 379
 None
 1.33A 3jayA-3ff1A:
undetectable		 3jayA-3ff1A:
18.34
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 ASN A 357
GLU A 269
VAL A 391
ILE A 380
ASN A 379
 None
 1.27A 3jb2A-3ff1A:
undetectable		 3jb2A-3ff1A:
18.34
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 ASN A 357
GLU A 269
VAL A 391
ILE A 380
ASN A 379
 None
 1.30A 3jb3A-3ff1A:
undetectable		 3jb3A-3ff1A:
18.34
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		6 / 12 GLY A 210
ALA A 208
THR A 173
ILE A 214
ALA A  91
VAL A 205
 None
 1.35A 3nvkI-3ff1A:
undetectable		 3nvkI-3ff1A:
20.36
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 GLY A 201
PRO A 196
VAL A 199
GLU A  58
TRP A 278
 None
 1.06A 3p2kB-3ff1A:
undetectable		 3p2kB-3ff1A:
19.34
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 GLN A 313
GLY A 371
GLY A 315
PHE A 318
SER A 297
 None
 1.08A 3sudB-3ff1A:
undetectable		 3sudB-3ff1A:
19.91
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 GLN A 313
GLY A 371
GLY A 315
PHE A 318
SER A 297
 None
 1.10A 3sueD-3ff1A:
undetectable		 3sueD-3ff1A:
18.85
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 PHE A 320
LEU A   6
PHE A 394
VAL A 378
ALA A 249
 None
 1.31A 3u9fD-3ff1A:
undetectable
3u9fE-3ff1A:
undetectable		 3u9fD-3ff1A:
20.05
3u9fE-3ff1A:
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.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 GLY A 141
GLY A 179
LEU A 184
SER A 138
VAL A 136
 None
 1.16A 4f84A-3ff1A:
undetectable		 4f84A-3ff1A:
21.15
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		3 / 3 GLY A 200
GLY A 201
GLN A 413
 None
 0.46A 5imsA-3ff1A:
4.5		 5imsA-3ff1A:
21.70
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.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 ILE A 294
GLY A 293
VAL A 408
TYR A 248
ILE A 251
 None
 1.10A 5n0tA-3ff1A:
2.9		 5n0tA-3ff1A:
22.38
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.
5UO8_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 6 TRP A 278
PHE A 275
GLU A 277
TRP A 279
 None
 1.45A 5uo8A-3ff1A:
undetectable
5uo8B-3ff1A:
undetectable		 5uo8A-3ff1A:
21.49
5uo8B-3ff1A:
21.49
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 VAL A  78
VAL A 195
GLY A 210
ALA A  88
LEU A  76
 None
 1.18A 5x23A-3ff1A:
undetectable		 5x23A-3ff1A:
22.22
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.
6A94_B_ZOTB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		5 / 12 VAL A 195
THR A 207
GLY A 201
SER A 204
VAL A 136
 None
 1.14A 6a94B-3ff1A:
undetectable		 6a94B-3ff1A:
22.97
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 7 PHE A  59
GLY A 218
ALA A 217
VAL A  78
 None
 0.84A 6dwnB-3ff1A:
undetectable		 6dwnB-3ff1A:
10.76
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.
6DYO_A_LDPA901_0
(EBONY)		 3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Staphylococcus
aureus) 		4 / 5 GLU A 321
VAL A 312
HIS A 306
THR A 364
 None
 1.15A 6dyoA-3ff1A:
undetectable		 6dyoA-3ff1A:
10.98