SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qat'

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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 6 LEU A  95
THR A  56
ALA A  61
LEU A 116
 None
CL  A 316 ( 4.2A)
None
None
 1.26A 1etb2-3qatA:
undetectable		 1etb2-3qatA:
20.97
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 8 ALA A 205
LEU A 206
GLY A 173
GLY A 156
 None
 0.72A 1rukH-3qatA:
undetectable
1rukL-3qatA:
undetectable		 1rukH-3qatA:
20.62
1rukL-3qatA:
19.50
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 4 SER A  69
ILE A  73
VAL A  90
THR A 273
 None
 1.00A 1u70A-3qatA:
undetectable		 1u70A-3qatA:
19.67
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 12 PHE A 107
CYH A 102
VAL A  31
LEU A 249
LEU A 230
 None
 1.12A 2prgB-3qatA:
undetectable		 2prgB-3qatA:
25.32
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		3 / 3 ARG A 289
GLY A 165
SER A 267
 None
 0.63A 2xctB-3qatA:
undetectable		 2xctB-3qatA:
20.52
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.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 8 ARG A 119
GLY A 255
GLY A   9
MET A 134
 None
 0.90A 2y6rB-3qatA:
undetectable		 2y6rB-3qatA:
22.06
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.
2Y6R_C_CTCC1385_0
(TETX2 PROTEIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 12 ARG A 119
MET A 123
PHE A 202
SER A 199
GLY A   9
 None
 1.49A 2y6rC-3qatA:
undetectable		 2y6rC-3qatA:
22.06
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.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 7 LEU A 312
LEU A  21
VAL A 299
LEU A 109
 None
 0.95A 3g8iA-3qatA:
undetectable		 3g8iA-3qatA:
23.60
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 8 LEU A 249
ALA A 225
THR A 106
GLY A  92
 None
 0.82A 3ny4A-3qatA:
undetectable		 3ny4A-3qatA:
22.96
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 10 ALA A  67
LEU A  55
LEU A  43
ASP A  36
ILE A  46
 None
None
None
EDO  A 315 ( 4.7A)
None
 1.19A 3wdmB-3qatA:
undetectable		 3wdmB-3qatA:
22.91
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 9 ALA A  67
LEU A  55
LEU A  43
ASP A  36
ILE A  46
 None
None
None
EDO  A 315 ( 4.7A)
None
 1.21A 3wdmC-3qatA:
undetectable		 3wdmC-3qatA:
22.91
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 12 PHE A   7
PRO A   8
LEU A  55
ILE A  47
MET A  70
 None
 1.36A 4a83A-3qatA:
undetectable		 4a83A-3qatA:
18.79
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.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 10 ARG A 119
MET A 123
PHE A 202
SER A 199
GLY A   9
 None
 1.44A 4a99A-3qatA:
1.0		 4a99A-3qatA:
22.30
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.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 11 ARG A 119
MET A 123
PHE A 202
SER A 199
GLY A   9
 None
 1.48A 4a99C-3qatA:
undetectable		 4a99C-3qatA:
22.30
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.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 11 GLN A  13
THR A  58
ALA A  61
LEU A  95
VAL A 170
 CL  A 316 (-3.5A)
None
None
None
None
 1.32A 4claA-3qatA:
undetectable		 4claA-3qatA:
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.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 12 ILE A 160
VAL A 145
LEU A 140
VAL A 184
ALA A 181
 None
 1.50A 4m11D-3qatA:
undetectable		 4m11D-3qatA:
18.57
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 7 ALA A 190
ASP A 163
ARG A 260
GLY A 166
 None
 1.04A 5bs8A-3qatA:
undetectable
5bs8B-3qatA:
undetectable
5bs8C-3qatA:
undetectable		 5bs8A-3qatA:
21.90
5bs8B-3qatA:
21.45
5bs8C-3qatA:
21.90
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 7 ALA A 190
ASP A 163
ARG A 260
GLY A 166
 None
 1.01A 5btdA-3qatA:
undetectable
5btdC-3qatA:
undetectable
5btdD-3qatA:
undetectable		 5btdA-3qatA:
21.90
5btdC-3qatA:
21.90
5btdD-3qatA:
21.45
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.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		4 / 6 LEU A 101
LEU A 116
PHE A 107
LEU A 218
 None
 1.01A 5gs4A-3qatA:
undetectable		 5gs4A-3qatA:
21.95
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.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		6 / 12 GLY A 300
GLY A 278
PHE A   7
VAL A 299
ALA A 308
LEU A  81
 None
 1.40A 5hieC-3qatA:
undetectable		 5hieC-3qatA:
18.58
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.
5WM2_A_ACTA605_0
(SALICYLATE-AMP
LIGASE)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		3 / 3 THR A 298
THR A 284
ARG A 288
 None
 1.00A 5wm2A-3qatA:
undetectable		 5wm2A-3qatA:
22.30
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Bartonella
henselae) 		5 / 12 VAL A 253
MET A 207
GLY A 120
ALA A  59
LEU A  43
 None
 1.33A 5x23A-3qatA:
undetectable		 5x23A-3qatA:
20.85