SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ged'

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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ILE A  34
ASP A  35
ASP A  55
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.65A 1qaoA-3gedA:
5.6		 1qaoA-3gedA:
19.85
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.
2Q6O_A_SAMA500_0
(HYPOTHETICAL PROTEIN)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		4 / 7 VAL A 105
ALA A  83
PRO A  59
THR A  61
 None
THJ  A 249 ( 4.1A)
None
None
 1.07A 2q6oA-3gedA:
undetectable		 2q6oA-3gedA:
22.92
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ILE A  34
ASP A  55
VAL A  56
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.79A 2qe6A-3gedA:
6.8		 2qe6A-3gedA:
23.33
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 10 GLY A  10
ASP A  33
ILE A  34
ASP A  55
VAL A  56
 None
None
THJ  A 249 (-4.5A)
None
None
 0.95A 3ay0B-3gedA:
6.5		 3ay0B-3gedA:
22.71
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 10 GLY A  11
ASP A  33
ILE A  34
ASP A  55
VAL A  56
 None
None
THJ  A 249 (-4.5A)
None
None
 0.72A 3ay0B-3gedA:
6.5		 3ay0B-3gedA:
22.71
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ASP A  55
VAL A  56
VAL A 105
 THJ  A 249 (-3.4A)
None
None
None
None
 1.12A 3dmfA-3gedA:
7.6		 3dmfA-3gedA:
20.36
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 11 GLY A  11
ASP A  33
ASP A  35
ASP A  55
VAL A  56
 None
 0.85A 3v8vB-3gedA:
7.0		 3v8vB-3gedA:
18.36
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 11 ILE A  18
ILE A  14
GLY A  13
VAL A 225
GLY A 200
 None
 0.99A 4ac9B-3gedA:
6.1
4ac9C-3gedA:
5.7		 4ac9B-3gedA:
21.31
4ac9C-3gedA:
21.31
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ILE A  34
ASP A  55
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.49A 4iv8A-3gedA:
7.2		 4iv8A-3gedA:
23.38
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ILE A  34
ASP A  55
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.49A 4iv8B-3gedA:
7.2		 4iv8B-3gedA:
23.38
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.
5IEN_B_VDYB201_2
(CDL2.2)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A  62
PHE A  65
LEU A 113
ILE A 129
ALA A  83
 None
None
None
None
THJ  A 249 ( 4.1A)
 1.19A 5ienB-3gedA:
undetectable		 5ienB-3gedA:
20.00
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ILE A  34
ILE A  14
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.73A 5wy0A-3gedA:
2.4		 5wy0A-3gedA:
21.03
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
GLY A  11
ASP A  33
ILE A  34
VAL A  56
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.73A 5wy0A-3gedA:
2.4		 5wy0A-3gedA:
21.03
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
ASP A  33
ILE A  34
ASP A  35
ASP A  55
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.59A 6bq4A-3gedA:
6.3		 6bq4A-3gedA:
15.79
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A   9
ASP A  33
ILE A  34
ASP A  35
ASP A  55
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.53A 6bq4B-3gedA:
6.9		 6bq4B-3gedA:
15.79