SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qna'

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.
2DTT_A_H4BA1003_1
(HYPOTHETICAL PROTEIN
PH0634)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		6 / 10 HIS A  15
HIS A  30
HIS A  32
THR A  83
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-4.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.59A 2dttA-3qnaA:
15.8
2dttC-3qnaA:
15.7		 2dttA-3qnaA:
32.41
2dttC-3qnaA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_D_H4BD1006_1
(HYPOTHETICAL PROTEIN
PH0634)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		6 / 10 HIS A  15
HIS A  30
HIS A  32
THR A  83
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-4.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.74A 2dttD-3qnaA:
15.6
2dttF-3qnaA:
15.7		 2dttD-3qnaA:
32.41
2dttF-3qnaA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		5 / 11 HIS A  15
HIS A  30
HIS A  32
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.61A 2dttD-3qnaA:
15.6
2dttE-3qnaA:
16.8		 2dttD-3qnaA:
32.41
2dttE-3qnaA:
32.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		5 / 11 HIS A  15
HIS A  30
THR A  83
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-4.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.55A 2dttD-3qnaA:
15.6
2dttE-3qnaA:
16.8		 2dttD-3qnaA:
32.41
2dttE-3qnaA:
32.41
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		4 / 5 LEU A  68
ALA A  13
PHE A  34
ASN A  74
 None
 1.23A 3uq6A-3qnaA:
undetectable		 3uq6A-3qnaA:
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		4 / 4 LEU A  68
ALA A  13
PHE A  34
ASN A  74
 None
 1.33A 3vaqA-3qnaA:
undetectable		 3vaqA-3qnaA:
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		4 / 4 LEU A  68
ALA A  13
PHE A  34
ASN A  74
 None
 1.30A 3vasA-3qnaA:
undetectable		 3vasA-3qnaA:
21.21
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		3 / 3 LEU A  38
MET A  35
TYR A 117
 None
 0.83A 4p6xG-3qnaA:
undetectable		 4p6xG-3qnaA:
17.53
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		3 / 3 HIS A  15
HIS A  32
HIS A  30
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
 0.60A 5zrdA-3qnaA:
undetectable		 5zrdA-3qnaA:
14.26
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE
(Escherichia
coli) 		3 / 3 HIS A  30
HIS A  15
HIS A  32
 ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
 0.58A 5zrdA-3qnaA:
undetectable		 5zrdA-3qnaA:
14.26