SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3oos'

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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 GLY A 121
GLY A 101
ILE A 242
PHE A 254
ALA A  95
 None
 1.03A 1nv8B-3oosA:
2.7		 1nv8B-3oosA:
22.40
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.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A 167
ILE A 147
ARG A 146
LEU A 199
ARG A 203
 GOL  A 279 ( 4.6A)
None
GOL  A 279 (-3.4A)
None
PG4  A 281 (-4.2A)
 1.09A 1tw4B-3oosA:
undetectable		 1tw4B-3oosA:
17.63
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.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 GLY A 121
GLY A 101
ILE A 242
PHE A 254
ALA A  95
 None
 1.03A 1vq1B-3oosA:
2.8		 1vq1B-3oosA:
21.34
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 ILE A 119
HIS A  97
PHE A  41
GLY A 228
PHE A  45
 None
 1.18A 1zz1B-3oosA:
undetectable
1zz1C-3oosA:
2.1		 1zz1B-3oosA:
19.84
1zz1C-3oosA:
19.84
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 7 SER A 135
HIS A 259
TYR A 137
TYR A 129
 None
SO4  A 278 (-4.2A)
PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
 1.25A 2vmyA-3oosA:
undetectable
2vmyB-3oosA:
undetectable		 2vmyA-3oosA:
22.84
2vmyB-3oosA:
22.84
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 TYR A 137
TYR A 129
SER A 135
HIS A 259
 PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
None
SO4  A 278 (-4.2A)
 1.30A 2vmyA-3oosA:
undetectable
2vmyB-3oosA:
undetectable		 2vmyA-3oosA:
22.84
2vmyB-3oosA:
22.84
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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 ILE A   7
TYR A  16
ASP A  36
THR A  46
 None
 1.03A 3q70A-3oosA:
undetectable		 3q70A-3oosA:
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 PHE A  45
ASN A 270
PHE A 269
THR A 252
 None
 1.15A 3t3sB-3oosA:
undetectable		 3t3sB-3oosA:
20.29
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 PHE A  45
ASN A 270
PHE A 269
THR A 252
 None
 1.00A 3t3sF-3oosA:
undetectable		 3t3sF-3oosA:
20.29
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 LYS A 215
THR A 109
ILE A  77
 None
 0.82A 4e0fB-3oosA:
undetectable		 4e0fB-3oosA:
22.30
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 7 PHE A 269
PHE A  41
GLY A 121
PHE A  45
 None
 0.69A 4ejjA-3oosA:
undetectable		 4ejjA-3oosA:
19.96
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 7 PHE A 269
PHE A  41
GLY A 121
PHE A  45
 None
 0.65A 4ejjB-3oosA:
undetectable		 4ejjB-3oosA:
19.96
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.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 GLY A  93
TYR A  34
LEU A  53
TYR A  49
 None
 0.90A 4fgzB-3oosA:
undetectable		 4fgzB-3oosA:
25.59
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 ARG A  84
ASP A  79
ASP A  63
 None
 0.87A 4kicB-3oosA:
undetectable		 4kicB-3oosA:
23.04
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  25
ILE A 118
TYR A 107
LEU A 103
GLY A 101
 None
 1.21A 4l9qB-3oosA:
undetectable		 4l9qB-3oosA:
19.32
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 ASN A 197
TYR A  71
CYH A  59
 None
 1.01A 5lsuB-3oosA:
undetectable		 5lsuB-3oosA:
21.71
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.
5YCN_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 CYH A 234
SER A 239
HIS A  97
TYR A 226
 PG4  A 281 (-3.5A)
None
None
None
 1.49A 5ycnA-3oosA:
undetectable		 5ycnA-3oosA:
23.84
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 PHE A 176
LEU A 182
ALA A 172
ASN A  39
 None
 1.03A 6f88A-3oosA:
undetectable		 6f88A-3oosA:
14.51