SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4r81'

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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 10 GLU A 183
ARG A 182
GLU A  18
ALA A  22
GLY A  26
 None
 1.44A 1cmcA-4r81A:
undetectable
1cmcB-4r81A:
undetectable		 1cmcA-4r81A:
18.18
1cmcB-4r81A:
18.18
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		4 / 6 LEU A  97
TRP A 100
PHE A  84
VAL A 129
 None
 0.90A 1ibgH-4r81A:
undetectable		 1ibgH-4r81A:
20.17
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 LEU A 186
LEU A 130
ALA A  81
ALA A  83
LEU A  20
 None
 1.37A 1kt5A-4r81A:
undetectable		 1kt5A-4r81A:
24.19
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 11 ARG A 103
GLU A  52
LEU A  65
PRO A  66
GLY A 108
 None
 1.34A 1mjqA-4r81A:
undetectable
1mjqB-4r81A:
undetectable		 1mjqA-4r81A:
18.18
1mjqB-4r81A:
18.18
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 11 GLY A 108
ARG A 103
GLU A  52
LEU A  65
PRO A  66
 None
 1.30A 1mjqA-4r81A:
undetectable
1mjqB-4r81A:
undetectable		 1mjqA-4r81A:
18.18
1mjqB-4r81A:
18.18
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 10 ARG A 103
GLU A  52
LEU A  65
PRO A  66
GLY A 108
 None
 1.33A 1mjqG-4r81A:
undetectable
1mjqH-4r81A:
undetectable		 1mjqG-4r81A:
18.18
1mjqH-4r81A:
18.18
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 10 GLY A 108
ARG A 103
GLU A  52
LEU A  65
PRO A  66
 None
 1.30A 1mjqG-4r81A:
undetectable
1mjqH-4r81A:
undetectable		 1mjqG-4r81A:
18.18
1mjqH-4r81A:
18.18
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.
1Q23_D_FUAD705_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 PHE A  23
PHE A 101
LEU A 158
VAL A 163
ALA A  81
 None
 1.30A 1q23D-4r81A:
undetectable
1q23E-4r81A:
undetectable		 1q23D-4r81A:
22.04
1q23E-4r81A:
22.04
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.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 LEU A 130
ALA A  83
LEU A 196
ALA A 192
LEU A  27
 None
 1.09A 1sn5B-4r81A:
undetectable
1sn5D-4r81A:
undetectable		 1sn5B-4r81A:
19.32
1sn5D-4r81A:
19.32
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.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 LEU A 196
ALA A 192
LEU A  27
LEU A 130
ALA A  83
 None
 1.10A 1sn5B-4r81A:
undetectable
1sn5D-4r81A:
undetectable		 1sn5B-4r81A:
19.32
1sn5D-4r81A:
19.32
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		3 / 3 TRP A 100
THR A 106
TYR A 109
 None
 1.00A 2a3aA-4r81A:
3.2		 2a3aA-4r81A:
17.73
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.
2A3A_B_TEPB2434_1
(CHITINASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		3 / 3 TRP A 100
THR A 106
TYR A 109
 None
 0.94A 2a3aB-4r81A:
2.9		 2a3aB-4r81A:
17.73
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.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 ILE A 122
ASP A 123
THR A 120
VAL A 161
GLU A 125
 None
 1.03A 2yzqA-4r81A:
undetectable		 2yzqA-4r81A:
19.31
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 PHE A 101
LEU A  65
LEU A  48
LEU A   6
TYR A   4
 None
 1.23A 3adsA-4r81A:
undetectable		 3adsA-4r81A:
20.98
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.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		3 / 3 VAL A 163
LYS A 164
HIS A   2
 None
 0.92A 3elzA-4r81A:
undetectable		 3elzA-4r81A:
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		3 / 3 PHE A   7
SER A  14
SER A  16
 None
FMN  A 300 (-3.3A)
FMN  A 300 (-2.7A)
 0.94A 3ufgB-4r81A:
undetectable		 3ufgB-4r81A:
20.77
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 HIS A   9
SER A  16
LEU A  82
GLY A  37
PHE A   7
 FMN  A 300 (-3.9A)
FMN  A 300 (-2.7A)
None
None
None
 1.16A 4foxA-4r81A:
undetectable		 4foxA-4r81A:
21.30
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.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 12 HIS A   9
SER A  16
LEU A  82
GLY A  37
PHE A   7
 FMN  A 300 (-3.9A)
FMN  A 300 (-2.7A)
None
None
None
 1.23A 4foxB-4r81A:
undetectable		 4foxB-4r81A:
21.30
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.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 11 HIS A   9
SER A  16
LEU A  82
GLY A  37
PHE A   7
 FMN  A 300 (-3.9A)
FMN  A 300 (-2.7A)
None
None
None
 1.17A 4foxC-4r81A:
undetectable		 4foxC-4r81A:
21.30
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		5 / 9 ILE A 122
VAL A 163
ALA A  81
ALA A  79
ILE A 124
 None
 0.98A 4lbgB-4r81A:
undetectable		 4lbgB-4r81A:
21.37
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.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 4r81 NADH DEHYDROGENASE
(Methanothermobac
ter
marburgensis) 		4 / 7 VAL A   3
ILE A   5
VAL A 128
ALA A  83
 None
 0.52A 5osrA-4r81A:
undetectable		 5osrA-4r81A:
19.43