SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pgx'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		7 / 11 GLY A  18
ALA A  19
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
None
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 1.26A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		7 / 11 GLY A  18
ALA A  20
ASP A  42
ARG A  21
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-2.8A)
NAD  A 277 (-4.0A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 1.38A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		8 / 11 GLY A  18
ALA A  20
ASP A  42
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-2.8A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 0.27A 1uayA-3pgxA:
29.0		 1uayA-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		7 / 10 GLY A  18
ALA A  19
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
None
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 1.25A 1uayB-3pgxA:
29.5		 1uayB-3pgxA:
32.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		8 / 10 GLY A  18
ALA A  20
ASP A  42
ASP A  81
VAL A  82
ALA A 109
VAL A 111
VAL A 131
 NAD  A 277 (-3.4A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-2.8A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 (-3.5A)
NAD  A 277 (-4.8A)
NAD  A 277 (-3.9A)
 0.24A 1uayB-3pgxA:
29.5		 1uayB-3pgxA:
32.99
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 GLY A  18
ASP A  42
ASP A  81
ASN A 108
ALA A 109
 NAD  A 277 (-3.4A)
NAD  A 277 (-2.8A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.2A)
NAD  A 277 (-3.5A)
 0.93A 2bm9E-3pgxA:
5.0		 2bm9E-3pgxA:
24.07
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 5 ALA A  19
ALA A  32
ALA A  36
VAL A 104
 None
 0.94A 2nyrB-3pgxA:
4.4		 2nyrB-3pgxA:
21.40
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		6 / 12 ALA A  56
GLY A  18
ILE A  43
ASP A  81
VAL A  82
ARG A  83
 NAD  A 277 (-3.3A)
NAD  A 277 (-3.4A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 ( 4.7A)
 1.00A 2qe6A-3pgxA:
undetectable		 2qe6A-3pgxA:
24.42
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A  20
ILE A  43
ASP A  81
VAL A  82
VAL A 106
 NAD  A 277 ( 3.9A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
None
 1.08A 2qe6B-3pgxA:
5.7		 2qe6B-3pgxA:
24.42
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A  56
ILE A  43
ASP A  81
VAL A  82
ARG A  83
 NAD  A 277 (-3.3A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
NAD  A 277 ( 4.7A)
 0.82A 2qe6B-3pgxA:
5.7		 2qe6B-3pgxA:
24.42
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 10 ASP A  42
ILE A  43
ALA A  20
ASP A  81
VAL A  82
 NAD  A 277 (-2.8A)
NAD  A 277 (-3.7A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
 0.81A 3ay0A-3pgxA:
undetectable		 3ay0A-3pgxA:
20.06
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 10 ASP A  42
ILE A  43
ALA A  56
ASP A  81
VAL A  82
 NAD  A 277 (-2.8A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.3A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
 1.37A 3ay0A-3pgxA:
undetectable		 3ay0A-3pgxA:
20.06
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 7 PHE A  15
ALA A 107
THR A  17
LEU A  88
 None
 0.93A 3t3sC-3pgxA:
undetectable		 3t3sC-3pgxA:
19.75
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.
4YIA_B_IMNB401_2
(THYROXINE-BINDING
GLOBULIN)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		3 / 3 LEU A  88
ARG A  89
ARG A 141
 None
 0.94A 4yiaB-3pgxA:
undetectable		 4yiaB-3pgxA:
12.34
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		3 / 3 ALA A 216
GLN A 124
THR A  52
 None
 0.73A 5n0oA-3pgxA:
1.9		 5n0oA-3pgxA:
21.76
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.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 11 GLY A  18
GLY A  24
SER A 160
LEU A 181
VAL A 157
 NAD  A 277 (-3.4A)
None
None
None
None
 1.03A 5o96G-3pgxA:
2.7		 5o96G-3pgxA:
22.78
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.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 3pgx CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 9 ALA A 163
ALA A 176
SER A 175
VAL A 128
GLY A 180
 None
 1.27A 6bklA-3pgxA:
undetectable
6bklB-3pgxA:
undetectable
6bklC-3pgxA:
undetectable
6bklD-3pgxA:
undetectable		 6bklA-3pgxA:
13.08
6bklB-3pgxA:
13.08
6bklC-3pgxA:
13.08
6bklD-3pgxA:
13.08