SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bva'

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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 10 THR A 286
ALA A 243
ALA A 220
VAL A 190
ILE A 200
 None
 0.88A 1claA-4bvaA:
undetectable		 1claA-4bvaA:
21.22
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		4 / 7 LEU A 138
ALA A 197
SER A 135
VAL A 216
 None
 0.89A 1dvxB-4bvaA:
undetectable		 1dvxB-4bvaA:
15.22
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.
1TYR_B_9CRB130_1
(TRANSTHYRETIN)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		4 / 7 LEU A 138
ALA A 197
SER A 135
VAL A 216
 None
 0.90A 1tyrB-4bvaA:
undetectable		 1tyrB-4bvaA:
15.25
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.
2R2V_D_ACTD37_0
(GCN4 LEUCINE ZIPPER)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		3 / 3 LYS A 290
ARG A 233
VAL A 260
 None
 1.07A 2r2vC-4bvaA:
undetectable
2r2vD-4bvaA:
undetectable		 2r2vC-4bvaA:
8.45
2r2vD-4bvaA:
8.45
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		3 / 3 MET A 294
VAL A 247
GLU A 256
 None
None
T3  A1314 (-3.7A)
 0.72A 3c6gA-4bvaA:
undetectable		 3c6gA-4bvaA:
21.37
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		3 / 3 SER A 291
ASP A 298
ASP A 110
 NDP  A1313 (-2.9A)
None
None
 0.90A 3uj7A-4bvaA:
5.5		 3uj7A-4bvaA:
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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.10A 4e47A-4bvaA:
undetectable		 4e47A-4bvaA:
17.91
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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.12A 4e47B-4bvaA:
undetectable		 4e47B-4bvaA:
17.91
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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.12A 4e47C-4bvaA:
undetectable		 4e47C-4bvaA:
17.91
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.11A 4jdsA-4bvaA:
undetectable		 4jdsA-4bvaA:
17.91
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.
4JDS_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.10A 4jdsB-4bvaA:
undetectable		 4jdsB-4bvaA:
17.91
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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.10A 4jdsC-4bvaA:
undetectable		 4jdsC-4bvaA:
17.91
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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 12 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.07A 4jlgA-4bvaA:
undetectable		 4jlgA-4bvaA:
17.91
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		4 / 6 LEU A 130
LEU A 245
VAL A 244
PHE A 289
 None
 1.22A 4uswA-4bvaA:
undetectable		 4uswA-4bvaA:
20.75
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.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 9 LEU A  23
GLU A  69
ILE A 114
MET A 109
VAL A 300
 None
 1.38A 4x3mA-4bvaA:
2.4		 4x3mA-4bvaA:
23.78
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 11 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.18A 5ayfA-4bvaA:
undetectable		 5ayfA-4bvaA:
19.10
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.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 12 VAL A 288
ALA A 224
VAL A 190
ILE A 200
THR A 202
 None
 0.86A 5hieD-4bvaA:
undetectable		 5hieD-4bvaA:
22.75
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.
5JQ7_B_T0RB705_2
(ENVELOPE
GLYCOPROTEIN 2)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		4 / 7 LEU A 271
TYR A 246
THR A 287
THR A 286
 None
None
K  A1315 (-3.0A)
None
 0.86A 5jq7B-4bvaA:
undetectable		 5jq7B-4bvaA:
18.21
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		5 / 12 ILE A 153
VAL A 113
ALA A 120
ILE A 125
ALA A 124
 None
 0.90A 5n0tB-4bvaA:
undetectable		 5n0tB-4bvaA:
22.69
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		3 / 3 GLY A 272
VAL A 296
MET A 294
 None
 0.63A 5ycpA-4bvaA:
undetectable		 5ycpA-4bvaA:
12.92
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE
(Mus
musculus) 		3 / 3 ILE A 153
ASN A 223
CYH A 139
 None
 0.82A 6bp4A-4bvaA:
undetectable		 6bp4A-4bvaA:
22.59