SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3hwr'

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.
1EPB_A_9CRA165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 MET A   1
VAL A   3
LEU A  70
VAL A 163
ALA A 161
 None
 0.95A 1epbA-3hwrA:
undetectable		 1epbA-3hwrA:
21.11
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 TYR A  14
LEU A 100
HIS A  24
LEU A  19
ILE A   5
 None
 1.33A 1fmlA-3hwrA:
undetectable		 1fmlA-3hwrA:
21.75
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 TYR A 185
GLY A 204
ILE A 235
LEU A 181
LEU A 285
 None
None
None
MRD  A 302 ( 3.4A)
None
 1.20A 1r30A-3hwrA:
undetectable		 1r30A-3hwrA:
24.68
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 TYR A 185
GLY A 204
ILE A 235
LEU A 181
LEU A 285
 None
None
None
MRD  A 302 ( 3.4A)
None
 1.20A 1r30B-3hwrA:
undetectable		 1r30B-3hwrA:
24.68
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.
1UDU_A_CIAA1003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 11 TYR A 196
ILE A 238
ALA A 184
LEU A 264
ILE A 180
 BCN  A 301 (-4.5A)
None
None
None
None
 1.12A 1uduA-3hwrA:
undetectable		 1uduA-3hwrA:
22.52
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 11 VAL A  26
ILE A   5
LEU A  28
LEU A  45
LEU A  43
 None
 1.29A 2a15A-3hwrA:
undetectable		 2a15A-3hwrA:
17.33
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		4 / 8 ARG A 221
ALA A 220
GLU A 214
VAL A 231
 None
None
None
MRD  A 302 ( 4.8A)
 0.78A 2bxgA-3hwrA:
undetectable		 2bxgA-3hwrA:
20.00
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.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 LEU A  98
CYH A  74
GLY A   7
ILE A  27
LEU A  70
 None
None
NDP  A 300 (-3.0A)
None
None
 1.04A 3ijdB-3hwrA:
undetectable		 3ijdB-3hwrA:
19.39
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		4 / 6 LEU A 199
ILE A 191
ALA A 187
THR A 249
 None
 1.11A 3mdrA-3hwrA:
undetectable		 3mdrA-3hwrA:
19.65
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.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 LEU A  72
GLY A  23
ALA A 161
VAL A  26
LEU A  70
 None
 0.96A 4dc3A-3hwrA:
5.7		 4dc3A-3hwrA:
25.06
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 12 LEU A  70
ILE A   5
ALA A 107
ALA A 119
VAL A 118
 None
 0.99A 4hfpD-3hwrA:
undetectable		 4hfpD-3hwrA:
20.62
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		4 / 7 ALA A 119
PRO A 147
LEU A  96
LEU A  98
 None
 0.99A 4iomA-3hwrA:
undetectable		 4iomA-3hwrA:
21.34
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.
5L66_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 10 ALA A 190
THR A 249
SER A 247
GLY A 256
ALA A 254
 None
None
BCN  A 301 (-4.7A)
None
None
 1.41A 5l66K-3hwrA:
undetectable
5l66L-3hwrA:
undetectable		 5l66K-3hwrA:
20.38
5l66L-3hwrA:
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.
5L66_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 10 ALA A 190
THR A 249
SER A 247
GLY A 256
ALA A 254
 None
None
BCN  A 301 (-4.7A)
None
None
 1.42A 5l66Y-3hwrA:
undetectable
5l66Z-3hwrA:
undetectable		 5l66Y-3hwrA:
20.38
5l66Z-3hwrA:
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		4 / 6 LEU A 179
LYS A  76
GLU A 260
LEU A 264
 None
NDP  A 300 ( 4.8A)
NDP  A 300 (-3.2A)
None
 1.46A 5xooA-3hwrA:
undetectable		 5xooA-3hwrA:
16.04
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 10 ALA A  90
LEU A  91
VAL A  65
VAL A  97
ILE A   5
 None
 1.47A 6h1lA-3hwrA:
undetectable		 6h1lA-3hwrA:
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		5 / 10 ALA A  90
LEU A  91
VAL A  97
ILE A   5
ALA A  83
 None
None
None
None
NDP  A 300 ( 4.2A)
 1.02A 6h1lA-3hwrA:
undetectable		 6h1lA-3hwrA:
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3hwr 2-DEHYDROPANTOATE
2-REDUCTASE
(Cupriavidus
pinatubonensis) 		4 / 5 GLY A 103
LEU A 175
SER A  99
GLN A 101
 None
 1.06A 6ji6A-3hwrA:
undetectable		 6ji6A-3hwrA:
20.06