SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BU3'


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.
1J96_B_TESB904_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		4 / 7 TYR X 600
VAL X 247
ILE X 248
GLU X 602
 None
None
None
BU3  X1638 (-3.3A)
 0.75A 1j96B-3zyyX:
undetectable		 1j96B-3zyyX:
19.69
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.
1XWF_A_ADNA433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.88A 1xwfA-4dg8A:
3.5		 1xwfA-4dg8A:
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.
1XWF_B_ADNB433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.87A 1xwfB-4dg8A:
3.3		 1xwfB-4dg8A:
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.
1XWF_C_ADNC433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.85A 1xwfC-4dg8A:
undetectable		 1xwfC-4dg8A:
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.
1XWF_D_ADND433_2
(ADENOSYLHOMOCYSTEINA
SE)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		3 / 3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.86A 1xwfD-4dg8A:
3.5		 1xwfD-4dg8A:
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		4 / 7 GLY A 283
GLY A 308
THR A 310
ARG A 426
 BU3  A 702 ( 3.1A)
BU3  A 702 (-4.6A)
AMP  A 701 (-3.8A)
AMP  A 701 (-3.1A)
 0.61A 2wd9A-4dg8A:
36.1		 2wd9A-4dg8A:
22.93
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		4 / 8 GLY A 283
GLY A 308
THR A 310
ARG A 426
 BU3  A 702 ( 3.1A)
BU3  A 702 (-4.6A)
AMP  A 701 (-3.8A)
AMP  A 701 (-3.1A)
 0.64A 2wd9B-4dg8A:
37.3		 2wd9B-4dg8A:
22.93
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		5 / 12 GLN A  45
PHE A  13
THR A 209
GLY A  46
LEU A  51
 BU3  A 301 (-3.6A)
None
None
None
None
 1.36A 3aodC-5n5dA:
undetectable		 3aodC-5n5dA:
13.14
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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		5 / 9 ILE A 187
CYH A 191
PHE A 196
GLY A 308
PHE A 315
 None
None
None
BU3  A 702 (-4.6A)
None
 1.47A 3ko0A-4dg8A:
undetectable
3ko0C-4dg8A:
undetectable		 3ko0A-4dg8A:
9.40
3ko0C-4dg8A:
9.40
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.
3KO0_G_TFPG201_1
(PROTEIN S100-A4)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		5 / 9 GLY A 308
PHE A 315
ILE A 187
CYH A 191
PHE A 196
 BU3  A 702 (-4.6A)
None
None
None
None
 1.48A 3ko0F-4dg8A:
undetectable
3ko0G-4dg8A:
0.0		 3ko0F-4dg8A:
9.40
3ko0G-4dg8A:
9.40
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		4 / 6 PHE A 213
THR A 258
ALA A 216
ALA A 215
 BU3  A 703 ( 3.9A)
BU3  A 703 (-3.7A)
None
BU3  A 703 ( 3.8A)
 0.99A 3ns1C-4dg8A:
undetectable		 3ns1C-4dg8A:
21.11
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.
3U88_A_CHDA611_0
(MENIN)		 5te4 HIV-1 CLADE G STRAIN
X2088 GP120
(Human
immunodeficiency
virus
1) 		3 / 3 SER G 375
PHE G 382
LYS G 421
 BU3  G 515 (-3.2A)
None
SO4  G 512 (-2.8A)
 1.00A 3u88A-5te4G:
undetectable		 3u88A-5te4G:
19.71
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 4dg8 PA1221
(Pseudomonas
aeruginosa) 		5 / 7 ASP A 214
GLY A 283
THR A 310
PHE A 315
LYS A 421
 AMP  A 701 ( 4.3A)
BU3  A 702 ( 3.1A)
AMP  A 701 (-3.8A)
None
AMP  A 701 ( 3.0A)
 0.92A 3vnsA-4dg8A:
45.8		 3vnsA-4dg8A:
27.87
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.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		4 / 5 ILE A 145
VAL A 163
LEU A  49
ASP A 139
 None
BU3  A 301 ( 4.6A)
BU3  A 301 ( 3.7A)
SAM  A 306 (-2.3A)
 1.01A 3wzdA-5n5dA:
undetectable		 3wzdA-5n5dA:
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4rkm MCCA
(Wolinella
succinogenes) 		5 / 12 PHE A 509
TYR A 499
ASN A 275
ALA A 283
GLY A 276
 None
BU3  A 804 ( 3.7A)
None
None
None
 1.44A 4oadA-4rkmA:
undetectable		 4oadA-4rkmA:
12.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		5 / 12 LEU A  49
GLU A  63
GLY A  65
ALA A 118
TYR A 148
 BU3  A 301 ( 3.7A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
SAM  A 306 (-3.5A)
None
 1.33A 4pclB-5n5dA:
29.4		 4pclB-5n5dA:
31.12
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.
4U14_A_0HKA2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		4 / 4 ASN A 166
LEU A  49
PHE A  67
TYR A  70
 None
BU3  A 301 ( 3.7A)
SAM  A 306 (-4.2A)
None
 1.40A 4u14A-5n5dA:
undetectable		 4u14A-5n5dA:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		12 / 12 ALA A  40
VAL A  41
GLU A  63
GLY A  65
TYR A  70
TRP A  90
GLU A  91
ARG A 117
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.3A)
SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
None
None
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.46A 5n5dA-5n5dA:
43.4		 5n5dA-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		11 / 12 LEU A  39
ALA A  40
VAL A  41
GLU A  63
TYR A  70
ILE A  88
GLU A  91
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.5A)
SAM  A 306 (-3.3A)
SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
None
SAM  A 306 ( 4.2A)
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.19A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		10 / 12 VAL A  41
GLU A  63
TYR A  70
ILE A  88
TRP A  90
GLU A  91
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
None
SAM  A 306 ( 4.2A)
None
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.98A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
100.00
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		4 / 8 ASP A 175
ASP A 177
HIS A 178
PRO A 179
 BU3  A 302 (-2.8A)
BU3  A 302 (-4.2A)
GOL  A 304 ( 3.6A)
BU3  A 302 ( 4.1A)
 1.06A 6ag0C-5n5dA:
undetectable		 6ag0C-5n5dA:
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.
6G1P_B_ACTB403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 3hq9 CYTOCHROME C551
PEROXIDASE
(Geobacter
sulfurreducens) 		3 / 3 PHE A 115
ARG A 268
GLN A 114
 BU3  A 350 ( 4.2A)
HEM  A 400 (-4.3A)
BU3  A 350 (-4.1A)
 1.00A 6g1pB-3hq9A:
undetectable		 6g1pB-3hq9A:
24.47
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5n5d METHYLTRANSFERASE
(Streptomyces
regensis) 		4 / 7 ASP A 165
ASP A 139
LYS A 210
TYR A  70
 BU3  A 301 (-2.7A)
SAM  A 306 (-2.3A)
None
None
 1.41A 6g31G-5n5dA:
undetectable		 6g31G-5n5dA:
14.41