SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3up8'

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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 8 ASN A  49
LEU A  30
ALA A  33
LEU A  34
 None
 0.77A 1hwiD-3up8A:
undetectable		 1hwiD-3up8A:
21.07
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		3 / 3 PHE A 137
TYR A  78
PRO A 107
 None
 1.17A 1mcnA-3up8A:
undetectable
1mcnB-3up8A:
undetectable
1mcnP-3up8A:
undetectable		 1mcnA-3up8A:
20.72
1mcnB-3up8A:
20.72
1mcnP-3up8A:
5.56
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.
1MUI_B_AB1B100_2
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.18A 1muiB-3up8A:
undetectable		 1muiB-3up8A:
19.07
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.
1N49_B_RITB301_2
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 11 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.19A 1n49B-3up8A:
undetectable		 1n49B-3up8A:
20.19
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.
1N49_D_RITD401_1
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 11 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.18A 1n49C-3up8A:
undetectable		 1n49C-3up8A:
20.19
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.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 4 LEU A 102
SER A  86
LEU A 104
LEU A 120
 None
 1.11A 1yajA-3up8A:
undetectable		 1yajA-3up8A:
19.89
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 5 LEU A 213
ASN A 237
VAL A 191
ALA A 185
 None
 1.10A 2cizA-3up8A:
undetectable		 2cizA-3up8A:
20.93
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.
2N27_A_4DYA205_1
(CALMODULIN)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 11 LEU A 103
THR A 181
ILE A 134
LEU A 213
VAL A 224
 None
 1.46A 2n27A-3up8A:
undetectable		 2n27A-3up8A:
18.54
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.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 LEU A  14
ALA A  13
LEU A 216
LEU A 180
PHE A  68
 None
 1.25A 2oaxF-3up8A:
undetectable		 2oaxF-3up8A:
21.50
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 5 LEU A 104
ALA A 145
ILE A 153
SER A 149
 None
 0.95A 2othA-3up8A:
undetectable		 2othA-3up8A:
16.50
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.
2R5P_D_MK1D902_2
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.28A 2r5pD-3up8A:
undetectable		 2r5pD-3up8A:
16.61
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.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.23A 2z54B-3up8A:
undetectable		 2z54B-3up8A:
18.99
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 10 MET A 178
ILE A 117
LEU A 104
ILE A 153
THR A 172
 None
 1.10A 3jw3A-3up8A:
undetectable		 3jw3A-3up8A:
19.41
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.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A  11
 None
 1.00A 3mwsA-3up8A:
undetectable		 3mwsA-3up8A:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 TYR A  47
TRP A  74
HIS A 105
ASN A 136
TYR A 183
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
 0.44A 3r43A-3up8A:
36.4		 3r43A-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 10 TYR A  47
HIS A 105
ASN A 136
TYR A 183
PRO A 271
 ACT  A 276 (-4.6A)
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
None
 0.77A 3r58A-3up8A:
36.7		 3r58A-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 TYR A  47
TRP A  74
HIS A 105
ASN A 136
TYR A 183
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
 0.37A 3r6iA-3up8A:
36.6		 3r6iA-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 9 TYR A  47
HIS A 105
ASN A 136
TYR A 183
PRO A 271
 ACT  A 276 (-4.6A)
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
None
 0.75A 3r8gA-3up8A:
36.7		 3r8gA-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 TYR A  47
HIS A 105
ASN A 136
TYR A 183
PRO A 271
 ACT  A 276 (-4.6A)
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
None
 0.79A 3r94A-3up8A:
36.6		 3r94A-3up8A:
33.33
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 9 LEU A  94
ALA A  56
GLY A  61
ILE A  62
THR A  96
 None
 1.32A 3spkA-3up8A:
undetectable		 3spkA-3up8A:
20.34
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 10 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.30A 3ttpA-3up8A:
undetectable		 3ttpA-3up8A:
22.01
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		6 / 10 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.32A 3ttpB-3up8A:
undetectable		 3ttpB-3up8A:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 TYR A  47
TRP A  74
HIS A 105
ASN A 136
PRO A 271
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
None
 0.73A 3ug8A-3up8A:
36.6		 3ug8A-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 TYR A  47
TRP A  74
HIS A 105
ASN A 136
TYR A 183
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
 0.40A 3ug8A-3up8A:
36.6		 3ug8A-3up8A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 7 TYR A  47
ASN A 136
GLU A 159
PRO A 271
 ACT  A 276 (-4.6A)
None
None
None
 0.84A 3ugrA-3up8A:
36.3		 3ugrA-3up8A:
33.33
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.
4NJV_A_RITA500_1
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A  11
 None
 0.92A 4njvA-3up8A:
undetectable		 4njvA-3up8A:
22.01
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.
4NJV_D_RITD500_2
(PROTEASE)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 12 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A  11
 None
 0.94A 4njvD-3up8A:
undetectable		 4njvD-3up8A:
22.01
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.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 11 HIS A  40
THR A  43
THR A  71
THR A  70
GLY A  54
 None
 1.28A 4qw1V-3up8A:
undetectable
4qw1b-3up8A:
undetectable		 4qw1V-3up8A:
24.68
4qw1b-3up8A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVV_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		5 / 9 TYR A  47
TRP A  74
HIS A 105
ASN A 136
TYR A 183
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
 0.37A 4yvvA-3up8A:
36.2		 4yvvA-3up8A:
33.33
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 8 PRO A 271
SER A 135
TRP A 106
TYR A 183
 None
None
None
ACT  A 276 (-3.7A)
 1.39A 5amiB-3up8A:
undetectable		 5amiB-3up8A:
18.00
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.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 8 THR A  70
THR A 155
SER A   6
THR A 181
 None
 0.87A 5l4eA-3up8A:
undetectable
5l4eB-3up8A:
undetectable
5l4eC-3up8A:
undetectable
5l4eD-3up8A:
undetectable
5l4eE-3up8A:
undetectable		 5l4eA-3up8A:
22.16
5l4eB-3up8A:
22.16
5l4eC-3up8A:
22.16
5l4eD-3up8A:
22.16
5l4eE-3up8A:
22.16
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.
5OH1_B_EF2B202_0
(CEREBLON ISOFORM 4)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 7 PRO A 107
PHE A 137
TRP A 106
TYR A 183
 None
None
None
ACT  A 276 (-3.7A)
 1.40A 5oh1B-3up8A:
undetectable		 5oh1B-3up8A:
13.76
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B
(Sinorhizobium
meliloti) 		4 / 8 PRO A 266
GLN A 267
GLY A 268
LEU A 269
 None
 0.60A 5w3jB-3up8A:
undetectable		 5w3jB-3up8A:
22.22