SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r6o'

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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 ILE A 259
VAL A 160
ALA A 156
THR A 261
LEU A 238
 None
 1.08A 2japA-3r6oA:
undetectable		 2japA-3r6oA:
23.36
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.
2JAP_B_J01B1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 ILE A 259
VAL A 160
ALA A 156
THR A 261
LEU A 238
 None
 1.12A 2japB-3r6oA:
undetectable		 2japB-3r6oA:
23.36
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.
2JAP_C_J01C1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 ILE A 259
VAL A 160
ALA A 156
THR A 261
LEU A 238
 None
 1.07A 2japC-3r6oA:
undetectable		 2japC-3r6oA:
23.36
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.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 ILE A 259
VAL A 160
ALA A 156
THR A 261
LEU A 238
 None
 1.11A 2japD-3r6oA:
undetectable		 2japD-3r6oA:
23.36
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		4 / 8 ASP A 168
LYS A 193
GLY A 262
GLU A 139
 MG  A 400 (-3.6A)
MG  A 400 ( 4.2A)
MG  A 400 ( 4.8A)
MG  A 400 (-2.7A)
 1.04A 2ys6A-3r6oA:
undetectable		 2ys6A-3r6oA:
23.59
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 11 GLY A  83
LYS A 113
SER A 114
PRO A 115
SER A 117
 None
 1.07A 3bjwB-3r6oA:
undetectable		 3bjwB-3r6oA:
14.85
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 11 GLY A  83
LYS A 113
SER A 114
PRO A 115
SER A 117
 None
 0.97A 3bjwE-3r6oA:
undetectable		 3bjwE-3r6oA:
14.85
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A  83
LYS A 113
SER A 114
PRO A 115
SER A 117
 None
 1.00A 3bjwF-3r6oA:
undetectable		 3bjwF-3r6oA:
14.85
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 11 GLY A  83
LYS A 113
SER A 114
PRO A 115
SER A 117
 None
 1.08A 3bjwH-3r6oA:
undetectable		 3bjwH-3r6oA:
14.85
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		3 / 3 MET A 164
CYH A 199
PRO A  82
 None
 1.22A 3h52C-3r6oA:
undetectable		 3h52C-3r6oA:
22.80
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		3 / 3 ARG A 129
VAL A 125
THR A 197
 None
 0.85A 3k4vA-3r6oA:
undetectable		 3k4vA-3r6oA:
16.03
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.
3NDU_D_ROCD100_3
(PROTEASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		3 / 3 ARG A 129
VAL A 125
THR A 197
 None
 0.86A 3nduD-3r6oA:
undetectable		 3nduD-3r6oA:
16.03
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.
3TL9_A_ROCA401_2
(PROTEASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		3 / 3 ARG A 129
VAL A 125
THR A 197
 None
 0.86A 3tl9A-3r6oA:
undetectable		 3tl9A-3r6oA:
17.70
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.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		4 / 6 THR A 263
PHE A 269
ARG A 172
PHE A  90
 None
 1.41A 4kf9A-3r6oA:
undetectable		 4kf9A-3r6oA:
23.28
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		5 / 12 ALA A 156
ASN A  91
GLY A 239
ILE A 151
VAL A 247
 None
 1.02A 4nkxA-3r6oA:
undetectable		 4nkxA-3r6oA:
20.61
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE
(Mycobacteroides
abscessus) 		3 / 3 VAL A 110
GLU A 137
GLU A 139
 None
MG  A 400 (-3.5A)
MG  A 400 (-2.7A)
 0.66A 5jsdB-3r6oA:
undetectable
5jsdC-3r6oA:
undetectable		 5jsdB-3r6oA:
19.31
5jsdC-3r6oA:
19.31