SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qdq'

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.
1DY5_A_ACTA600_0
(RIBONUCLEASE A)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 4 HIS A 181
VAL A 155
ASN A 156
THR A 179
 None
 1.34A 1dy5A-3qdqA:
undetectable		 1dy5A-3qdqA:
15.45
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 PHE A 317
ILE A 321
GLY A 319
ILE A 377
ALA A 411
 None
 1.06A 1nv8B-3qdqA:
undetectable		 1nv8B-3qdqA:
21.43
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.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 4 SER A 124
VAL A 121
PHE A 167
VAL A 162
 None
 1.34A 1o86A-3qdqA:
undetectable		 1o86A-3qdqA:
20.35
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_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 4 ALA A  34
VAL A 121
ALA A  30
HIS A  31
 None
 1.19A 1q23F-3qdqA:
undetectable		 1q23F-3qdqA:
18.97
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.
2BXE_B_1FLB2001_1
(SERUM ALBUMIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 LEU A 212
ILE A 309
CYH A 202
GLY A 199
LEU A 224
 None
 1.15A 2bxeB-3qdqA:
undetectable		 2bxeB-3qdqA:
21.29
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 5 ILE A 109
ASP A 139
ALA A 144
PHE A 102
 None
 1.06A 2opxA-3qdqA:
undetectable		 2opxA-3qdqA:
23.32
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.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		3 / 3 VAL A 361
LYS A 372
HIS A 201
 None
COA  A 500 (-3.3A)
None
 0.69A 3elzA-3qdqA:
undetectable		 3elzA-3qdqA:
15.78
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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 ILE A 309
VAL A 394
ILE A 399
SER A 204
LEU A 227
 None
 1.12A 4a84A-3qdqA:
undetectable		 4a84A-3qdqA:
18.39
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 7 PHE A 269
VAL A 291
ASN A 295
GLY A 335
 None
None
None
COA  A 500 ( 4.5A)
 0.99A 4ejjB-3qdqA:
undetectable		 4ejjB-3qdqA:
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		6 / 12 ILE A 267
THR A 268
LEU A 288
VAL A 162
LEU A 270
TYR A 277
 None
 1.31A 4g1bD-3qdqA:
3.2		 4g1bD-3qdqA:
22.13
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 8 SER A 210
LEU A 227
LEU A 224
VAL A 223
ILE A 309
 None
 1.03A 4oj4A-3qdqA:
undetectable		 4oj4A-3qdqA:
19.29
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 5 ALA A  30
THR A 141
VAL A 168
ILE A 145
 None
 0.91A 4xe3B-3qdqA:
undetectable		 4xe3B-3qdqA:
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 8 SER A 210
LEU A 227
LEU A 224
ILE A 309
 None
 0.95A 4xtaB-3qdqA:
undetectable		 4xtaB-3qdqA:
19.43
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 VAL A 244
LEU A 214
VAL A 286
ILE A 267
VAL A 300
 None
 0.94A 4y8wC-3qdqA:
undetectable		 4y8wC-3qdqA:
20.99
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 ALA A  17
PRO A  36
HIS A 181
GLN A 158
SER A 180
 None
 1.07A 5hfjB-3qdqA:
undetectable		 5hfjB-3qdqA:
19.55
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 5 PRO A 184
HIS A  31
TYR A  66
PHE A  77
 None
 1.46A 5igjA-3qdqA:
undetectable		 5igjA-3qdqA:
20.95
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.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 9 PHE A 269
VAL A 286
ASP A 242
ILE A 240
 None
 1.04A 5lg3I-3qdqA:
undetectable		 5lg3I-3qdqA:
21.58
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 LEU A 233
GLY A 251
LEU A 212
LEU A 214
LEU A 224
 None
 1.13A 5nfjB-3qdqA:
undetectable		 5nfjB-3qdqA:
17.77
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 LEU A 233
GLY A 251
LEU A 212
LEU A 214
LEU A 224
 None
 1.15A 5nfjC-3qdqA:
undetectable		 5nfjC-3qdqA:
17.77
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		3 / 3 THR A  82
MET A  58
HIS A  57
 None
 0.79A 5uunA-3qdqA:
undetectable		 5uunA-3qdqA:
22.12
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		3 / 3 HIS A 296
HIS A 103
ARG A 342
 None
 0.64A 6b58A-3qdqA:
undetectable		 6b58A-3qdqA:
20.85
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.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		5 / 12 PRO A 160
LEU A 288
GLY A 164
ILE A 267
ALA A 266
 None
 1.26A 6qxsD-3qdqA:
undetectable		 6qxsD-3qdqA:
19.31