SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d81'

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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		4 / 8 LEU A 209
SER A 236
GLN A 338
THR A 239
 None
 0.98A 1ig3A-2d81A:
4.3
1ig3B-2d81A:
4.5		 1ig3A-2d81A:
21.18
1ig3B-2d81A:
21.18
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		4 / 8 LEU A 228
SER A 236
GLN A 338
THR A 239
 None
 0.95A 1ig3A-2d81A:
4.3
1ig3B-2d81A:
4.5		 1ig3A-2d81A:
21.18
1ig3B-2d81A:
21.18
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 TYR A  68
GLY A  42
GLY A  66
GLY A 249
ALA A  45
 None
 0.90A 2fk8A-2d81A:
undetectable		 2fk8A-2d81A:
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		4 / 7 PHE A 157
ILE A 177
ILE A 257
GLY A  42
 None
 0.81A 2v0mB-2d81A:
undetectable		 2v0mB-2d81A:
20.63
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 9 LEU A 279
TYR A 267
PHE A 157
GLY A  41
ALA A  45
 None
 1.45A 3jusB-2d81A:
undetectable		 3jusB-2d81A:
21.54
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.
4PTH_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		3 / 3 ASP A 140
LEU A 108
PHE A 139
 None
 0.73A 4pthA-2d81A:
undetectable		 4pthA-2d81A:
16.26
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 HIS A 155
SER A 172
THR A 117
ALA A  64
GLY A 152
 RB3  A 451 ( 4.6A)
None
None
None
None
 1.24A 4qvnV-2d81A:
undetectable
4qvnb-2d81A:
undetectable		 4qvnV-2d81A:
22.22
4qvnb-2d81A:
21.71
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 HIS A 155
SER A 172
THR A 117
ALA A  64
GLY A 152
 RB3  A 451 ( 4.6A)
None
None
None
None
 1.24A 4qvnH-2d81A:
undetectable
4qvnN-2d81A:
undetectable		 4qvnH-2d81A:
22.22
4qvnN-2d81A:
21.71
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		4 / 7 PHE A 161
ASP A 160
GLY A 266
GLY A 186
 None
 1.05A 5n9xA-2d81A:
undetectable		 5n9xA-2d81A:
19.48
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 LEU A 204
GLY A 206
SER A 207
LEU A 228
LEU A 209
 None
 1.28A 5nwvA-2d81A:
undetectable		 5nwvA-2d81A:
9.09
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		4 / 8 GLY A 309
ILE A 292
ASP A 286
PRO A 301
 None
None
None
RB3  A 451 (-4.3A)
 0.86A 6ag0A-2d81A:
undetectable		 6ag0A-2d81A:
12.54
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.
6HWD_B_BO2B201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 HIS A 155
SER A 172
THR A 117
ALA A  64
GLY A 152
 RB3  A 451 ( 4.6A)
None
None
None
None
 1.23A 6hwdV-2d81A:
undetectable
6hwdb-2d81A:
undetectable		 6hwdV-2d81A:
14.20
6hwdb-2d81A:
14.29
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.
6HWD_N_BO2N201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 2d81 PHB DEPOLYMERASE
(Talaromyces
funiculosus) 		5 / 12 HIS A 155
SER A 172
THR A 117
ALA A  64
GLY A 152
 RB3  A 451 ( 4.6A)
None
None
None
None
 1.24A 6hwdH-2d81A:
undetectable
6hwdN-2d81A:
undetectable		 6hwdH-2d81A:
14.20
6hwdN-2d81A:
14.29