SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pfd'

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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 GLY A 240
SER A 191
ALA A 179
ASP A 249
LEU A 248
 None
IOD  A 410 ( 4.9A)
None
None
None
 1.06A 1i9gA-3pfdA:
undetectable		 1i9gA-3pfdA:
21.73
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 ILE A 234
ILE A 233
ALA A 187
ASN A 188
THR A 181
 None
None
None
None
IOD  A 410 (-4.4A)
 1.11A 1jtxA-3pfdA:
2.1		 1jtxA-3pfdA:
17.97
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.
1YA4_A_CTXA11_1
(CES1 PROTEIN)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 8 LEU A 107
GLY A 111
LYS A 116
LEU A 120
 None
 0.91A 1ya4A-3pfdA:
undetectable		 1ya4A-3pfdA:
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 5 ALA A  87
ILE A 262
ILE A 213
ASP A 365
 None
 1.07A 2h4jA-3pfdA:
undetectable		 2h4jA-3pfdA:
19.30
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 ALA A 244
THR A 243
ALA A 246
ARG A 110
 None
 0.84A 2ql8A-3pfdA:
undetectable
2ql8B-3pfdA:
undetectable		 2ql8A-3pfdA:
15.45
2ql8B-3pfdA:
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 GLY A 323
PHE A 324
ASP A 249
ALA A 246
ARG A 110
 None
IOD  A 418 ( 4.9A)
None
None
None
 0.98A 3g89A-3pfdA:
undetectable		 3g89A-3pfdA:
21.64
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_C2FB315_0
(UNCHARACTERIZED
PROTEIN)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 ILE A 234
ARG A 232
THR A 247
LYS A 163
VAL A 177
 None
 1.50A 3ijdB-3pfdA:
0.0		 3ijdB-3pfdA:
19.26
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.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		6 / 12 LEU A 115
ILE A 228
PRO A 229
LEU A 159
VAL A 177
THR A 243
 None
None
IOD  A 408 ( 3.9A)
None
None
None
 1.38A 4kfjB-3pfdA:
undetectable		 4kfjB-3pfdA:
20.57
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 8 ARG A 232
VAL A 195
ASP A 198
ASP A 199
 None
 0.81A 4xqgA-3pfdA:
undetectable		 4xqgA-3pfdA:
24.66
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 8 ARG A 232
VAL A 195
ASP A 198
ASP A 199
 None
 0.82A 4xqgB-3pfdA:
undetectable		 4xqgB-3pfdA:
24.66
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 5 GLY A 265
ARG A  88
GLY A 261
GLU A  85
 None
 1.28A 4z2eB-3pfdA:
1.9
4z2eC-3pfdA:
undetectable		 4z2eB-3pfdA:
20.64
4z2eC-3pfdA:
22.17
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.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 372
GLY A 215
SER A  92
LEU A  95
 FDA  A 390 (-4.9A)
None
None
None
 0.96A 5bphB-3pfdA:
undetectable		 5bphB-3pfdA:
24.94
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.
5BPH_D_ACTD403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 372
GLY A 215
SER A  92
LEU A  95
 FDA  A 390 (-4.9A)
None
None
None
 0.88A 5bphD-3pfdA:
undetectable		 5bphD-3pfdA:
24.94