SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qsg'

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.
1C4D_A_DVAA6_0
(GRAMICIDIN A)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 ALA A 181
VAL A 220
TRP A 278
 None
 1.00A 1c4dA-3qsgA:
undetectable
1c4dB-3qsgA:
undetectable		 1c4dA-3qsgA:
4.07
1c4dB-3qsgA:
4.07
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 GLU A 185
LEU A 184
VAL A 220
LEU A 200
 None
 0.96A 1hk3A-3qsgA:
undetectable		 1hk3A-3qsgA:
20.33
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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 5 LEU A  83
GLY A  80
HIS A 110
ILE A 107
 None
 0.89A 1xf1A-3qsgA:
undetectable		 1xf1A-3qsgA:
16.48
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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 LEU A  83
GLY A  80
HIS A 110
ILE A 107
 None
 0.85A 1xf1B-3qsgA:
undetectable		 1xf1B-3qsgA:
16.48
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 ILE A 155
ASP A 137
GLY A 163
GLY A 104
ILE A 103
 None
 1.00A 2fxdA-3qsgA:
undetectable		 2fxdA-3qsgA:
12.94
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.
2VTB_B_ACTB1500_0
(CRYPTOCHROME DASH)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 4 ARG A 143
PHE A 148
VAL A  62
ASP A  61
 None
 1.22A 2vtbB-3qsgA:
2.1		 2vtbB-3qsgA:
20.31
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 12 ILE A  15
GLY A   7
GLY A   9
ALA A  14
ALA A  33
VAL A  67
 None
 1.24A 2yvlB-3qsgA:
6.1		 2yvlB-3qsgA:
23.01
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A  15
GLY A   9
ALA A  14
ALA A  33
VAL A  67
 None
 1.18A 2yvlC-3qsgA:
5.8		 2yvlC-3qsgA:
23.01
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.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 282
LEU A 279
LEU A 217
ARG A 213
LEU A 224
 None
 1.30A 3d90B-3qsgA:
undetectable		 3d90B-3qsgA:
20.45
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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 GLU A  55
SER A  48
VAL A  47
 None
 0.78A 3eeoA-3qsgA:
3.3		 3eeoA-3qsgA:
21.62
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.
3FI0_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  80
GLN A  77
VAL A 106
ILE A  63
VAL A  53
 None
 1.37A 3fi0F-3qsgA:
undetectable		 3fi0F-3qsgA:
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  80
GLN A  77
VAL A 106
ILE A  63
VAL A  53
 None
 1.15A 3fi0L-3qsgA:
undetectable		 3fi0L-3qsgA:
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A   6
GLY A   7
ALA A  42
ASP A  31
ALA A  33
 None
 1.05A 3jb1A-3qsgA:
3.4		 3jb1A-3qsgA:
15.38
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A 107
GLY A 104
ARG A 101
ASP A 105
ALA A 118
 None
 1.06A 3jb1A-3qsgA:
3.4		 3jb1A-3qsgA:
15.38
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 VAL A 132
ALA A  90
PHE A  92
LEU A   3
VAL A  62
 None
 1.07A 3w67C-3qsgA:
undetectable		 3w67C-3qsgA:
20.43
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 PHE A   5
LEU A  66
GLY A 152
LEU A 134
PHE A 144
 None
 1.12A 4kykA-3qsgA:
undetectable
4kykB-3qsgA:
undetectable		 4kykA-3qsgA:
15.26
4kykB-3qsgA:
15.26
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 6 TYR A 255
LEU A 241
GLU A 236
VAL A  99
ALA A  98
 None
 1.40A 4nkvC-3qsgA:
undetectable		 4nkvC-3qsgA:
21.02
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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A  15
ALA A  90
LEU A  19
LEU A   3
PHE A 144
 None
 1.17A 4pbhA-3qsgA:
undetectable		 4pbhA-3qsgA:
24.79
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLU A 156
LEU A 167
GLY A 164
GLY A 163
PRO A  97
 None
 0.85A 4yvgA-3qsgA:
undetectable		 4yvgA-3qsgA:
24.92
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 THR A  93
SER A  65
ASP A  31
 None
 0.78A 5kvaA-3qsgA:
2.5		 5kvaA-3qsgA:
25.07
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.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 THR A  93
SER A  65
ASP A  31
 None
 0.79A 5kvaB-3qsgA:
2.1		 5kvaB-3qsgA:
25.07
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.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  80
GLN A  77
VAL A 106
ILE A  63
GLN A  78
 None
 1.30A 5v0iA-3qsgA:
undetectable		 5v0iA-3qsgA:
25.43
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.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  80
GLN A  77
VAL A 106
ILE A  63
GLN A  78
 None
 1.28A 5v0iB-3qsgA:
undetectable		 5v0iB-3qsgA:
25.43
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ASP A 139
PHE A 144
LEU A  19
ALA A  12
ILE A   6
 None
 1.17A 5vc0A-3qsgA:
undetectable		 5vc0A-3qsgA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLU A 156
LEU A 167
GLY A 164
GLY A 163
PRO A  97
 None
 0.90A 5zhmB-3qsgA:
2.1		 5zhmB-3qsgA:
30.06
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.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 ALA A  14
ILE A  15
PHE A 148
GLY A 152
GLY A 129
 None
 1.34A 6awoA-3qsgA:
undetectable		 6awoA-3qsgA:
21.04
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.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 ALA A  14
ILE A  15
PHE A 148
GLY A 152
GLY A 129
 None
 1.35A 6awqA-3qsgA:
undetectable		 6awqA-3qsgA:
21.04
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A   6
GLY A   7
GLY A   9
ALA A  11
VAL A  53
 None
None
None
CL  A 290 ( 4.4A)
None
 0.88A 6iftA-3qsgA:
undetectable		 6iftA-3qsgA:
21.95