SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BAL'


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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  36
VAL A  37
SER A  65
VAL A 181
LEU A 165
 None
None
BAL  A 802 ( 4.9A)
None
None
 1.30A 1rk3A-1n2oA:
0.0		 1rk3A-1n2oA:
20.71
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		4 / 6 GLN A 164
HIS A  44
HIS A  47
ASP A 161
 BAL  A 802 ( 4.6A)
SO4  A 601 (-3.9A)
SO4  A 601 ( 4.9A)
None
 1.22A 3nvcA-1n2oA:
0.0		 3nvcA-1n2oA:
22.59
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		4 / 6 GLN A 164
HIS A  47
HIS A  44
ASP A 161
 BAL  A 802 ( 4.6A)
SO4  A 601 ( 4.9A)
SO4  A 601 (-3.9A)
None
 0.97A 3nvcA-1n2oA:
0.0		 3nvcA-1n2oA:
22.59
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.
3UA5_B_06XB502_1
(CYTOCHROME P450 2B6)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 140
LEU A 177
PRO A  38
PHE A 157
VAL A 142
 None
None
BAL  A 802 ( 4.9A)
None
BAL  A 802 (-4.7A)
 1.17A 3ua5B-1n2oA:
0.0		 3ua5B-1n2oA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		6 / 8 HIS A 135
VAL A 139
VAL A 142
ASP A 161
GLN A 164
ARG A 198
 None
BAL  A 802 ( 4.7A)
BAL  A 802 (-4.7A)
None
BAL  A 802 ( 4.6A)
SO4  A 601 (-2.9A)
 0.85A 3uy4A-1n2oA:
34.2		 3uy4A-1n2oA:
36.25
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  36
VAL A  37
SER A  65
VAL A 181
LEU A 165
 None
None
BAL  A 802 ( 4.9A)
None
None
 1.29A 3vt3A-1n2oA:
0.0		 3vt3A-1n2oA:
21.17
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  36
VAL A  37
SER A  65
VAL A 181
LEU A 165
 None
None
BAL  A 802 ( 4.9A)
None
None
 1.28A 3vt7A-1n2oA:
undetectable		 3vt7A-1n2oA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		7 / 12 HIS A  44
GLY A  46
LEU A  50
VAL A 142
GLY A 158
ASP A 161
THR A 186
 SO4  A 601 (-3.9A)
None
None
BAL  A 802 (-4.7A)
None
None
None
 0.47A 5hg0A-1n2oA:
28.8		 5hg0A-1n2oA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 1n2o PANTOTHENATE
SYNTHETASE
(Mycobacterium
tuberculosis) 		8 / 12 HIS A  44
GLY A  46
HIS A  47
LEU A  50
VAL A 142
GLY A 158
ASP A 161
THR A 186
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
BAL  A 802 (-4.7A)
None
None
None
 0.40A 5hg0B-1n2oA:
28.8		 5hg0B-1n2oA:
34.67