SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1in8'

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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ALA A 283
ALA A 281
LEU A 293
ALA A 290
VAL A 316
 None
 1.08A 1fbyB-1in8A:
undetectable		 1fbyB-1in8A:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J7K_A_ACTA701_0
(HOLLIDAY JUNCTION
DNA HELICASE RUVB)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		4 / 4 GLY A 278
LEU A 279
GLY A 313
ARG A 314
 None
 0.11A 1j7kA-1in8A:
43.5		 1j7kA-1in8A:
99.40
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.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		4 / 7 ALA A 209
ILE A 189
ILE A 200
ASP A 202
 None
 0.77A 1upfB-1in8A:
undetectable		 1upfB-1in8A:
22.51
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.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 GLY A 155
LEU A 122
ILE A  71
HIS A  80
ALA A  68
 None
 1.34A 2a58A-1in8A:
undetectable
2a58E-1in8A:
undetectable		 2a58A-1in8A:
20.96
2a58E-1in8A:
20.96
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.
2A58_B_RBFB301_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ILE A  71
HIS A  80
ALA A  68
GLY A 155
LEU A 122
 None
 1.31A 2a58A-1in8A:
undetectable
2a58B-1in8A:
undetectable		 2a58A-1in8A:
20.96
2a58B-1in8A:
20.96
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 ILE A  71
HIS A  80
ALA A  68
GLY A 155
LEU A 122
 None
 1.34A 2a58C-1in8A:
undetectable
2a58D-1in8A:
undetectable		 2a58C-1in8A:
20.96
2a58D-1in8A:
20.96
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.
2A58_E_RBFE304_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ILE A  71
HIS A  80
ALA A  68
GLY A 155
LEU A 122
 None
 1.32A 2a58D-1in8A:
undetectable
2a58E-1in8A:
undetectable		 2a58D-1in8A:
20.96
2a58E-1in8A:
20.96
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 LEU A  24
ILE A  70
ILE A  71
LEU A  56
LEU A 175
 None
 0.86A 2bdmA-1in8A:
0.0		 2bdmA-1in8A:
21.97
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 ILE A 268
GLU A 298
GLY A 313
THR A 310
GLY A 275
 None
 1.15A 2fn1A-1in8A:
undetectable		 2fn1A-1in8A:
24.32
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 ILE A 268
GLU A 298
GLY A 313
THR A 310
GLY A 275
 None
 1.14A 2fn1B-1in8A:
undetectable		 2fn1B-1in8A:
24.32
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.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ALA A 320
LEU A 257
LEU A 301
LEU A 286
THR A 317
 None
 1.24A 2oipC-1in8A:
undetectable		 2oipC-1in8A:
20.57
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		4 / 6 LEU A 279
PHE A 260
ASP A 258
GLU A 298
 None
 1.27A 2vn1B-1in8A:
0.0		 2vn1B-1in8A:
15.93
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.
3EKX_B_1UNB201_2
(PROTEASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 ALA A 205
ASP A 202
ILE A 188
VAL A 198
ILE A 200
 None
None
ADP  A 700 ( 4.1A)
None
None
 0.99A 3ekxB-1in8A:
undetectable		 3ekxB-1in8A:
13.72
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		3 / 3 GLY A  61
GLY A  63
THR A  65
 ADP  A 700 (-3.5A)
ADP  A 700 (-3.1A)
ADP  A 700 (-3.7A)
 0.44A 3si7B-1in8A:
4.9		 3si7B-1in8A:
23.25
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		4 / 7 GLY A 313
ILE A 315
GLY A 275
ILE A 268
 None
 0.62A 4eatA-1in8A:
2.9		 4eatA-1in8A:
22.56
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.
4I1R_A_LZUA801_1
(MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 VAL A  33
ALA A  68
LEU A  55
LEU A 175
LEU A  51
 None
 1.19A 4i1rA-1in8A:
undetectable		 4i1rA-1in8A:
22.63
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.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ALA A 320
LEU A 257
LEU A 301
LEU A 286
THR A 317
 None
 1.28A 4q0dC-1in8A:
undetectable		 4q0dC-1in8A:
21.06
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.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ALA A 320
LEU A 257
LEU A 301
LEU A 286
THR A 317
 None
 1.28A 4q0dD-1in8A:
undetectable		 4q0dD-1in8A:
21.06
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.
5VLM_A_CVIA301_0
(REGULATORY PROTEIN
TETR)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 MET A  93
ALA A 125
LEU A 106
ILE A 108
PHE A 171
 None
 1.47A 5vlmA-1in8A:
0.6		 5vlmA-1in8A:
24.26
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.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 11 ILE A 268
ALA A 320
LEU A 301
LEU A 286
THR A 317
 None
 0.89A 5z6mA-1in8A:
undetectable		 5z6mA-1in8A:
17.61
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.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB
(Thermotoga
maritima) 		5 / 12 ALA A 283
ALA A 281
LEU A 293
ALA A 290
ILE A 315
 None
 0.95A 6a5yD-1in8A:
undetectable		 6a5yD-1in8A:
14.80