SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4unr'

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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		4 / 8 VAL A 178
ALA A  98
TRP A 187
GLU A 181
 None
 1.11A 1dmiA-4unrA:
undetectable
1dmiB-4unrA:
undetectable		 1dmiA-4unrA:
19.73
1dmiB-4unrA:
19.73
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.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.33A 1p62B-4unrA:
12.7		 1p62B-4unrA:
20.83
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A  38
SER A 104
TYR A 103
 None
QZE  A1211 (-3.3A)
QZE  A1211 (-3.7A)
 0.68A 1x70A-4unrA:
undetectable		 1x70A-4unrA:
14.68
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 138
GLY A   7
ALA A 102
THR A 175
LEU A 171
 None
 1.00A 3dh0B-4unrA:
undetectable		 3dh0B-4unrA:
20.68
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLN A 136
LEU A  93
GLN A  82
LEU A 130
LEU A   2
 None
 1.21A 3fsuA-4unrA:
undetectable		 3fsuA-4unrA:
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.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.32A 3hp1A-4unrA:
12.7		 3hp1A-4unrA:
19.08
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		4 / 8 GLY A  83
TYR A  88
ASP A  89
SER A  30
 None
 0.76A 3pwwA-4unrA:
undetectable		 3pwwA-4unrA:
21.15
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 130
ARG A  38
PHE A  36
GLU A 124
ALA A   4
 None
 1.17A 4aqlA-4unrA:
undetectable		 4aqlA-4unrA:
16.94
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.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A  26
ILE A  92
ALA A 204
VAL A  31
VAL A  90
 None
 0.91A 4nkvD-4unrA:
undetectable		 4nkvD-4unrA:
17.23