SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i1u'

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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		4 / 8 ALA A  35
LEU A  33
LEU A 128
LEU A   6
 None
 0.75A 1dvtA-4i1uA:
undetectable
1dvtB-4i1uA:
undetectable		 1dvtA-4i1uA:
22.61
1dvtB-4i1uA:
22.61
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		4 / 7 THR A   7
VAL A 115
VAL A 172
ASP A 131
 None
 1.04A 2cppA-4i1uA:
undetectable		 2cppA-4i1uA:
17.75
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		4 / 7 GLY A   8
GLY A   9
VAL A  17
LEU A   6
 None
 0.82A 2oa1B-4i1uA:
2.9		 2oa1B-4i1uA:
19.17
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.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		5 / 12 THR A  39
GLY A  43
ILE A  34
LEU A  44
THR A  87
 None
CL  A 304 (-3.6A)
None
CL  A 304 (-4.0A)
None
 1.14A 3eeyD-4i1uA:
undetectable		 3eeyD-4i1uA:
18.67
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		4 / 7 ILE A 108
PHE A 197
TYR A 194
GLY A 104
 None
 1.10A 3em0B-4i1uA:
undetectable		 3em0B-4i1uA:
16.06
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.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		5 / 10 ARG A  37
GLU A  96
LEU A  90
LEU A  44
ILE A  38
 CL  A 304 (-4.4A)
None
None
CL  A 304 (-4.0A)
CL  A 304 (-4.6A)
 1.33A 3kvrA-4i1uA:
2.1		 3kvrA-4i1uA:
22.61
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.
3NBQ_A_URFA400_1
(URIDINE
PHOSPHORYLASE 1)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		5 / 9 ARG A  37
GLU A  96
LEU A  90
LEU A  44
ILE A  38
 CL  A 304 (-4.4A)
None
None
CL  A 304 (-4.0A)
CL  A 304 (-4.6A)
 1.30A 3nbqA-4i1uA:
2.3		 3nbqA-4i1uA:
24.40
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4i1u DEPHOSPHO-COA KINASE
(Burkholderia
vietnamiensis) 		5 / 12 ILE A 108
ALA A  22
ILE A 173
ASN A 175
TYR A 106
 None
 1.39A 4gh8B-4i1uA:
2.4		 4gh8B-4i1uA:
22.57