SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qdf'

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.
1MUI_B_AB1B100_2
(PROTEASE)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 12 GLY A 100
ALA A  56
ILE A 177
ILE A 145
VAL A  63
 None
 0.88A 1muiB-3qdfA:
undetectable		 1muiB-3qdfA:
20.09
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		3 / 3 TRP A 215
VAL A  89
PRO A  88
 None
 0.93A 1rg1A-3qdfA:
undetectable		 1rg1A-3qdfA:
19.72
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		3 / 3 TRP A 215
VAL A  89
PRO A  88
 None
 0.93A 1rh0A-3qdfA:
undetectable		 1rh0A-3qdfA:
19.72
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.
2Y7W_C_SALC1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		4 / 7 ILE A 124
GLY A 125
PHE A  37
ILE A  58
 None
 0.87A 2y7wC-3qdfA:
undetectable		 2y7wC-3qdfA:
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		4 / 8 ASP A 148
LYS A 165
GLY A 231
GLU A 119
 ZN  A 266 (-3.1A)
EDO  A 268 (-3.1A)
EDO  A 268 ( 4.3A)
ZN  A 266 ( 2.5A)
 0.87A 2ys6A-3qdfA:
undetectable		 2ys6A-3qdfA:
21.48
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.
3JWQ_B_VIAB901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 11 LEU A 255
ALA A  97
VAL A 149
LEU A 107
THR A 256
 None
 1.24A 3jwqB-3qdfA:
undetectable
3jwqC-3qdfA:
undetectable		 3jwqB-3qdfA:
20.65
3jwqC-3qdfA:
20.65
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.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 12 PHE A 116
ASN A 257
GLY A 118
ALA A 195
GLY A 194
 None
 1.05A 3v3oA-3qdfA:
undetectable		 3v3oA-3qdfA:
21.88
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 12 PHE A 116
ASN A 257
GLY A 118
ALA A 195
GLY A 194
 None
 1.03A 3v3oB-3qdfA:
undetectable		 3v3oB-3qdfA:
21.88
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 11 PHE A 116
ASN A 257
GLY A 118
ALA A 195
GLY A 194
 None
 1.01A 4a6nA-3qdfA:
undetectable		 4a6nA-3qdfA:
21.00
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.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		4 / 8 HIS A 115
GLU A 117
GLN A 198
GLY A 235
 None
ZN  A 266 ( 3.1A)
None
None
 0.93A 4f93B-3qdfA:
2.1		 4f93B-3qdfA:
9.53
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 9 THR A  43
VAL A  52
ALA A  15
ALA A  13
ILE A   6
 None
 1.10A 4lbgB-3qdfA:
undetectable		 4lbgB-3qdfA:
26.24
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		5 / 12 VAL A  64
GLY A 210
ILE A 228
ILE A 124
SER A 217
 None
 1.05A 4mwzB-3qdfA:
undetectable		 4mwzB-3qdfA:
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.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		4 / 4 LEU A 227
ILE A 122
GLY A 225
ILE A 140
 None
 0.87A 5dzk3-3qdfA:
undetectable
5dzkm-3qdfA:
undetectable		 5dzk3-3qdfA:
3.39
5dzkm-3qdfA:
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 3qdf 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE
(Mycobacterium
marinum) 		4 / 5 ALA A  15
ALA A  29
ILE A   6
LEU A  54
 None
 0.82A 5jncD-3qdfA:
undetectable		 5jncD-3qdfA:
19.80