SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2f17'

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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		4 / 7 LEU A 172
THR A 231
THR A 197
VAL A 195
 None
 0.80A 1ictD-2f17A:
undetectable		 1ictD-2f17A:
18.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		5 / 8 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.11A 1ig3A-2f17A:
42.0
1ig3B-2f17A:
41.5		 1ig3A-2f17A:
100.00
1ig3B-2f17A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IG3_B_VIBB501_1
(THIAMIN
PYROPHOSPHOKINASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		5 / 7 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.21A 1ig3A-2f17A:
42.0
1ig3B-2f17A:
41.5		 1ig3A-2f17A:
100.00
1ig3B-2f17A:
100.00
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.
1XWF_A_ADNA433_2
(ADENOSYLHOMOCYSTEINA
SE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 THR A 198
GLU A   2
HIS A 173
 None
 0.81A 1xwfA-2f17A:
undetectable		 1xwfA-2f17A:
20.46
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.
1XWF_B_ADNB433_2
(ADENOSYLHOMOCYSTEINA
SE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 THR A 198
GLU A   2
HIS A 173
 None
 0.79A 1xwfB-2f17A:
undetectable		 1xwfB-2f17A:
20.46
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.
1XWF_C_ADNC433_2
(ADENOSYLHOMOCYSTEINA
SE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 THR A 198
GLU A   2
HIS A 173
 None
 0.79A 1xwfC-2f17A:
3.1		 1xwfC-2f17A:
20.46
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.
1XWF_D_ADND433_2
(ADENOSYLHOMOCYSTEINA
SE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 THR A 198
GLU A   2
HIS A 173
 None
 0.82A 1xwfD-2f17A:
2.5		 1xwfD-2f17A:
20.46
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.
3GWX_B_EPAB3_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		5 / 12 LEU A 105
ILE A 241
LEU A 125
VAL A  22
LEU A  24
 None
None
None
None
AMP  A 301 (-3.8A)
 1.12A 3gwxB-2f17A:
undetectable		 3gwxB-2f17A:
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.
3NAI_B_URFB521_1
(RNA DEPENDENT RNA
POLYMERASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		4 / 4 ARG A 131
ASP A  46
ASP A  73
ASP A  71
 PYI  A 902 ( 3.4A)
MG  A 901 ( 3.4A)
MG  A 901 (-2.9A)
MG  A 901 (-2.6A)
 1.34A 3naiB-2f17A:
undetectable		 3naiB-2f17A:
18.38
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 ILE A  91
VAL A 107
ARG A 110
 None
 0.61A 3p73A-2f17A:
undetectable		 3p73A-2f17A:
22.58
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.
3V4T_A_ACTA505_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 THR A 196
ASN A 206
GLU A 230
 None
 0.66A 3v4tA-2f17A:
undetectable
3v4tC-2f17A:
undetectable		 3v4tA-2f17A:
20.75
3v4tC-2f17A:
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		4 / 7 LEU A 172
THR A 231
THR A 197
VAL A 195
 None
 0.92A 4ik7A-2f17A:
undetectable		 4ik7A-2f17A:
18.59
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		5 / 12 GLY A 126
GLY A 127
PHE A 101
ALA A 137
GLN A 134
 None
AMP  A 301 (-3.1A)
AMP  A 301 (-4.8A)
None
PYI  A 902 ( 3.0A)
 1.14A 4ubeA-2f17A:
undetectable		 4ubeA-2f17A:
22.13
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		4 / 6 ASP A  46
ASP A 133
ASN A  25
GLN A  26
 MG  A 901 ( 3.4A)
None
AMP  A 301 (-3.3A)
AMP  A 301 (-3.7A)
 1.17A 5l6eA-2f17A:
2.3		 5l6eA-2f17A:
22.49
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.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		5 / 7 LEU A 117
LEU A  17
ILE A 112
LEU A 108
ILE A 154
 None
 1.30A 5vkqA-2f17A:
undetectable
5vkqB-2f17A:
undetectable		 5vkqA-2f17A:
9.33
5vkqB-2f17A:
9.33
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.
6DGX_A_017A101_2
(PROTEASE)		 2f17 THIAMIN
PYROPHOSPHOKINASE 1
(Mus
musculus) 		3 / 3 GLY A 126
ASP A  29
ILE A 241
 None
 0.58A 6dgxB-2f17A:
undetectable		 6dgxB-2f17A:
17.60