SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1upi'

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.
1ZEA_A_DHIA6_0
(MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
H CHAIN
MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
L CHAIN
SHORT SYNTHETIC
D-AMINO ACID PEPTIDE
D2)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		3 / 3 TRP A  29
ARG A 108
PHE A  27
 None
 1.43A 1zeaH-1upiA:
undetectable
1zeaL-1upiA:
undetectable		 1zeaH-1upiA:
20.32
1zeaL-1upiA:
20.61
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.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 130
SER A  51
ARG A  59
HIS A  62
 None
 1.03A 2f78A-1upiA:
undetectable		 2f78A-1upiA:
21.37
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.
2F8D_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 130
SER A  51
ARG A  59
HIS A  62
 None
 0.95A 2f8dA-1upiA:
undetectable		 2f8dA-1upiA:
21.37
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  60
GLY A 120
ARG A  59
ILE A 146
ALA A 174
 None
None
None
CME  A 147 ( 3.9A)
CME  A 147 ( 3.5A)
 1.18A 4kicA-1upiA:
undetectable		 4kicA-1upiA:
25.35
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.
4LUH_A_ACTA610_0
(SERUM ALBUMIN)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		3 / 3 VAL A  77
SER A  78
THR A 129
 None
 0.47A 4luhA-1upiA:
undetectable		 4luhA-1upiA:
16.29
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1upi DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  96
ALA A 118
LEU A  61
VAL A 180
LEU A 186
 None
None
CME  A 147 ( 4.9A)
None
None
 1.07A 5lw1H-1upiA:
undetectable		 5lw1H-1upiA:
19.00