SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ipf'

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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 12 GLY A  16
ARG A  41
ASP A  66
ASN A  94
ALA A  95
 NDP  A 261 (-3.4A)
NDP  A 261 (-3.6A)
NDP  A 261 (-4.1A)
NDP  A 261 (-3.3A)
NDP  A 261 (-4.0A)
 1.02A 2bm9E-1ipfA:
5.9		 2bm9E-1ipfA:
19.63
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 12 GLY A  16
ARG A  41
ASP A  66
SER A  68
ALA A  95
 NDP  A 261 (-3.4A)
NDP  A 261 (-3.6A)
NDP  A 261 (-4.1A)
NDP  A 261 ( 4.9A)
NDP  A 261 (-4.0A)
 0.98A 2br4C-1ipfA:
5.8		 2br4C-1ipfA:
19.78
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 8 PHE A 143
LEU A 133
LEU A  88
LEU A 125
ALA A 122
 None
 1.45A 2vcvF-1ipfA:
undetectable		 2vcvF-1ipfA:
21.53
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.
3KO0_P_TFPP201_1
(PROTEIN S100-A4)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 7 GLY A 186
GLY A 149
CYH A 172
PHE A 175
 None
 0.96A 3ko0M-1ipfA:
undetectable
3ko0P-1ipfA:
undetectable		 3ko0M-1ipfA:
16.34
3ko0P-1ipfA:
16.34
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 12 TYR A  23
GLY A  24
GLU A  27
GLY A  16
VAL A  36
 None
None
None
NDP  A 261 (-3.4A)
None
 1.28A 3qowA-1ipfA:
4.5		 3qowA-1ipfA:
20.79
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 5 SER A 146
ILE A  21
TYR A 159
GLY A 190
 TNE  A 262 ( 2.9A)
NDP  A 261 (-4.1A)
TNE  A 262 ( 4.2A)
NDP  A 261 ( 4.9A)
 0.96A 3uboB-1ipfA:
6.4		 3uboB-1ipfA:
24.21
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 5 SER A 148
ILE A 144
TYR A 159
GLY A 190
 TNE  A 262 (-2.9A)
NDP  A 261 (-4.6A)
TNE  A 262 ( 4.2A)
NDP  A 261 ( 4.9A)
 0.99A 3uboB-1ipfA:
6.4		 3uboB-1ipfA:
24.21
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.
3VYW_A_SAMA501_0
(MNMC2)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 12 GLY A  17
GLY A  22
GLU A  27
ALA A  62
LEU A  46
 NDP  A 261 ( 4.8A)
None
None
None
None
 1.18A 3vywA-1ipfA:
5.3		 3vywA-1ipfA:
21.65
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)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 11 ILE A  25
ILE A  21
GLY A  20
VAL A 250
GLY A 223
 None
NDP  A 261 (-4.1A)
NDP  A 261 (-3.5A)
None
None
 0.87A 4ac9B-1ipfA:
6.1
4ac9C-1ipfA:
4.3		 4ac9B-1ipfA:
19.14
4ac9C-1ipfA:
19.14
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 5 LEU A 210
ARG A 221
PRO A 189
SER A 146
 TNE  A 262 (-4.9A)
None
NDP  A 261 ( 4.1A)
TNE  A 262 ( 2.9A)
 1.28A 4kmmB-1ipfA:
2.7		 4kmmB-1ipfA:
21.47
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.
4OK1_A_198A1001_2
(ANDROGEN RECEPTOR)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 8 LEU A  91
ASN A  93
LEU A  76
ILE A 117
 None
None
None
NDP  A 261 ( 4.1A)
 1.00A 4ok1A-1ipfA:
undetectable		 4ok1A-1ipfA:
20.82
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.
5IGT_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 12 ILE A  21
VAL A  26
ALA A  12
LEU A  88
GLY A 139
 NDP  A 261 (-4.1A)
None
None
None
None
 0.98A 5igtA-1ipfA:
0.0		 5igtA-1ipfA:
24.83
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		3 / 3 ARG A 138
PRO A 238
ASN A   6
 None
 1.08A 5jwaA-1ipfA:
5.5
5jwaH-1ipfA:
5.5		 5jwaA-1ipfA:
18.09
5jwaH-1ipfA:
18.09
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 7 ASN A  47
LEU A  50
VAL A  64
SER A  40
 None
None
None
NDP  A 261 (-3.8A)
 1.05A 5m8rA-1ipfA:
0.0		 5m8rA-1ipfA:
20.63
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		4 / 8 ASN A  47
LEU A  50
VAL A  64
SER A  40
 None
None
None
NDP  A 261 (-3.8A)
 1.02A 5m8rC-1ipfA:
undetectable		 5m8rC-1ipfA:
20.63
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.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1ipf TROPINONE
REDUCTASE-II
(Datura
stramonium) 		5 / 9 ILE A 214
ASP A 251
LEU A 254
GLY A 190
ALA A 256
 None
None
None
NDP  A 261 ( 4.9A)
None
 1.42A 5x66C-1ipfA:
undetectable		 5x66C-1ipfA:
22.67