SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ubs'

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.
1EQB_A_FFOA1293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 368
GLY A 366
LEU A 375
SER A 251
PHE A 255
 None
PEG  A 515 (-3.5A)
None
None
None
 1.11A 1eqbA-4ubsA:
undetectable		 1eqbA-4ubsA:
21.38
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.
1EQB_B_FFOB2293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 368
GLY A 366
LEU A 375
SER A 251
PHE A 255
 None
PEG  A 515 (-3.5A)
None
None
None
 1.10A 1eqbB-4ubsA:
undetectable		 1eqbB-4ubsA:
21.38
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.
1EQB_C_FFOC3293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 368
GLY A 366
LEU A 375
SER A 251
PHE A 255
 None
PEG  A 515 (-3.5A)
None
None
None
 1.11A 1eqbC-4ubsA:
undetectable		 1eqbC-4ubsA:
21.38
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.
1EQB_D_FFOD4293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 368
GLY A 366
LEU A 375
SER A 251
PHE A 255
 None
PEG  A 515 (-3.5A)
None
None
None
 1.11A 1eqbD-4ubsA:
undetectable		 1eqbD-4ubsA:
21.38
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.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 9 CYH A 351
HIS A 100
LEU A  92
LEU A 234
LEU A 238
 HEM  A 501 (-2.4A)
HEM  A 501 (-3.8A)
HEM  A 501 (-4.1A)
None
HEM  A 501 (-4.3A)
 1.28A 1hwiA-4ubsA:
undetectable		 1hwiA-4ubsA:
24.75
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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 6 GLU A 360
LEU A 356
LEU A 160
GLY A 161
 HEM  A 501 ( 4.7A)
None
None
None
 0.90A 1n13H-4ubsA:
undetectable
1n13K-4ubsA:
undetectable		 1n13H-4ubsA:
14.36
1n13K-4ubsA:
9.11
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 7 LEU A 234
LEU A 212
ILE A 217
GLU A 230
 None
 1.07A 1n13I-4ubsA:
undetectable
1n13L-4ubsA:
undetectable		 1n13I-4ubsA:
9.11
1n13L-4ubsA:
14.36
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.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 5 ASP A  96
SER A  67
LEU A  93
GLY A  94
 None
None
HEM  A 501 ( 4.1A)
PO4  A 523 ( 3.8A)
 1.24A 2j2pA-4ubsA:
undetectable
2j2pB-4ubsA:
undetectable		 2j2pA-4ubsA:
20.20
2j2pB-4ubsA:
20.20
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		3 / 3 GLU A  83
GLN A 187
ARG A 190
 PEG  A 516 (-4.1A)
PEG  A 513 ( 4.6A)
DIF  A 502 ( 4.7A)
 0.97A 2w3bB-4ubsA:
undetectable		 2w3bB-4ubsA:
18.16
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 SER A  38
THR A  52
VAL A  51
LEU A  60
ILE A 306
 None
 1.44A 2xrlA-4ubsA:
undetectable		 2xrlA-4ubsA:
21.94
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 8 VAL A  85
ARG A  88
SER A  67
VAL A  90
 DIF  A 502 (-4.4A)
None
None
PO4  A 523 (-4.4A)
 1.31A 2y05A-4ubsA:
undetectable
2y05B-4ubsA:
undetectable		 2y05A-4ubsA:
21.74
2y05B-4ubsA:
21.74
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.
3ABK_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 4 ARG A 293
GLN A 350
PHE A 344
LEU A 291
 HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.7A)
 1.49A 3abkC-4ubsA:
0.9		 3abkC-4ubsA:
21.09
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.
3ABL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 5 ARG A 293
GLN A 350
PHE A 344
LEU A 291
 HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.7A)
 1.48A 3ablC-4ubsA:
undetectable
3ablJ-4ubsA:
undetectable		 3ablC-4ubsA:
21.09
3ablJ-4ubsA:
9.66
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		3 / 3 ALA A 241
THR A 245
CYH A 351
 HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
HEM  A 501 (-2.4A)
 0.66A 3e4eA-4ubsA:
31.6		 3e4eA-4ubsA:
25.51
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		3 / 3 ALA A 241
THR A 245
CYH A 351
 HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
HEM  A 501 (-2.4A)
 0.59A 3e4eB-4ubsA:
31.7		 3e4eB-4ubsA:
25.51
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.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 9 LEU A 281
HIS A 341
GLU A 279
ILE A 287
LEU A 285
 None
None
PEG  A 511 ( 4.4A)
None
None
 1.28A 3hy7B-4ubsA:
undetectable		 3hy7B-4ubsA:
20.21
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 PHE A 111
GLY A 353
ARG A 115
ASP A 215
GLY A 211
 HEM  A 501 ( 4.9A)
HEM  A 501 (-3.6A)
None
None
None
 1.01A 3jzjA-4ubsA:
undetectable		 3jzjA-4ubsA:
23.79
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		6 / 12 LEU A 178
ILE A 240
ALA A 241
GLU A 244
THR A 245
ALA A 288
 None
DIF  A 502 (-3.3A)
HEM  A 501 ( 3.8A)
None
HEM  A 501 ( 3.3A)
HEM  A 501 ( 3.7A)
 0.99A 3mdvB-4ubsA:
33.6		 3mdvB-4ubsA:
26.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 10 LEU A 178
LEU A 237
ALA A 241
THR A 245
THR A 391
 None
DIF  A 502 (-4.4A)
HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
None
 1.21A 3r9cA-4ubsA:
42.5		 3r9cA-4ubsA:
32.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 10 LEU A 237
ILE A 240
ALA A 241
THR A 245
THR A 391
 DIF  A 502 (-4.4A)
DIF  A 502 (-3.3A)
HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
None
 1.01A 3r9cA-4ubsA:
42.5		 3r9cA-4ubsA:
32.94
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.
4AC9_C_DXCC1477_0
(MJ0495-LIKE PROTEIN)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 6 GLY A 242
ARG A 175
ILE A 240
LEU A 160
 HEM  A 501 (-3.6A)
PGE  A 506 (-4.0A)
DIF  A 502 (-3.3A)
None
 1.12A 4ac9C-4ubsA:
undetectable		 4ac9C-4ubsA:
20.63
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.
4ACA_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 6 GLY A 242
ARG A 175
ILE A 240
LEU A 160
 HEM  A 501 (-3.6A)
PGE  A 506 (-4.0A)
DIF  A 502 (-3.3A)
None
 1.16A 4acaC-4ubsA:
undetectable		 4acaC-4ubsA:
20.63
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		3 / 3 GLU A 280
ASP A 333
ASP A 330
 None
 0.79A 4gc9A-4ubsA:
undetectable		 4gc9A-4ubsA:
22.77
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.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 282
GLU A 279
MET A 274
ILE A 250
LEU A 257
 None
PEG  A 511 ( 4.4A)
None
None
None
 1.30A 4j26B-4ubsA:
undetectable		 4j26B-4ubsA:
21.76
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 8 GLY A 211
GLU A 230
LEU A 231
LEU A 234
 None
 0.60A 4mwzB-4ubsA:
undetectable		 4mwzB-4ubsA:
20.45
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 6 LEU A 178
ILE A 240
ALA A 241
ALA A 288
 None
DIF  A 502 (-3.3A)
HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.7A)
 0.63A 4zf8A-4ubsA:
31.8		 4zf8A-4ubsA:
24.45
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 11 MET A 395
LEU A 143
ALA A 148
MET A 361
LEU A 365
 None
None
None
HEM  A 501 ( 3.9A)
None
 1.33A 5hyrB-4ubsA:
2.1		 5hyrB-4ubsA:
21.74
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 VAL A 400
LEU A 285
MET A 249
GLY A 253
LEU A 258
 None
None
HEM  A 501 (-4.4A)
None
None
 1.28A 5iktB-4ubsA:
undetectable		 5iktB-4ubsA:
21.75
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 7 LEU A  93
LEU A 237
ALA A 241
THR A 245
 HEM  A 501 ( 4.1A)
DIF  A 502 (-4.4A)
HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
 0.68A 6a7jA-4ubsA:
29.8		 6a7jA-4ubsA:
14.79
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		5 / 12 LEU A 131
GLU A 142
ALA A 141
LEU A 372
LEU A 368
 PGE  A 507 ( 4.3A)
None
None
None
None
 1.09A 6f6iA-4ubsA:
undetectable
6f6iB-4ubsA:
undetectable		 6f6iA-4ubsA:
10.69
6f6iB-4ubsA:
10.97
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 7 ALA A 241
THR A 245
ILE A 287
ALA A 288
 HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
None
HEM  A 501 ( 3.7A)
 0.84A 6ma7A-4ubsA:
28.1		 6ma7A-4ubsA:
11.78
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.
6NMF_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ubs PENTALENIC ACID
SYNTHASE
(Streptomyces
avermitilis) 		4 / 4 ARG A 293
GLN A 350
PHE A 344
LEU A 291
 HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.7A)
 1.43A 6nmfC-4ubsA:
0.8		 6nmfC-4ubsA:
21.09