SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DNB'


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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ILE A  77
GLY A  38
ASP A 241
PHE A 165
ASP A  14
 None
None
DNB  A 502 ( 2.5A)
DNB  A 502 ( 4.3A)
DNB  A 502 (-2.9A)
 1.07A 1zz1C-3g5iA:
2.4		 1zz1C-3g5iA:
23.70
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.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ASP A 241
PRO A  11
ILE A 167
MET A 150
ASP A  10
 DNB  A 502 ( 2.5A)
None
None
DNB  A 502 (-3.4A)
CA  A 501 (-3.0A)
 1.37A 3topA-3g5iA:
undetectable		 3topA-3g5iA:
17.96
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ASN A 166
LEU A  87
GLY A  12
ASP A  14
THR A  45
 DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
None
 1.17A 4o5fA-3g5iA:
undetectable
4o5fB-3g5iA:
undetectable		 4o5fA-3g5iA:
24.17
4o5fB-3g5iA:
24.17
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 THR A  45
ASN A 166
LEU A  87
GLY A  12
ASP A  14
 None
DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
 1.19A 4o5fA-3g5iA:
undetectable
4o5fB-3g5iA:
undetectable		 4o5fA-3g5iA:
24.17
4o5fB-3g5iA:
24.17
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ALA A 153
GLY A 188
ILE A 167
ASN A 166
MET A 150
 None
None
None
DNB  A 502 (-3.4A)
DNB  A 502 (-3.4A)
 1.30A 4obwD-3g5iA:
undetectable		 4obwD-3g5iA:
20.83
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ASP A  14
LEU A 239
LEU A 303
SER A  25
ILE A  17
 DNB  A 502 (-2.9A)
None
None
None
None
 1.07A 4x1fA-3g5iA:
undetectable		 4x1fA-3g5iA:
19.89
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ASP A  14
LEU A 239
LEU A 303
SER A  25
ILE A  17
 DNB  A 502 (-2.9A)
None
None
None
None
 1.06A 4x1gA-3g5iA:
undetectable		 4x1gA-3g5iA:
19.89
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 ASN A 166
LEU A  87
GLY A  12
ASP A  14
THR A  45
 DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
None
 1.17A 5b8hA-3g5iA:
undetectable
5b8hB-3g5iA:
undetectable		 5b8hA-3g5iA:
21.88
5b8hB-3g5iA:
21.88
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA
(Escherichia
coli) 		5 / 12 THR A  45
ASN A 166
LEU A  87
GLY A  12
ASP A  14
 None
DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
 1.20A 5b8hA-3g5iA:
undetectable
5b8hB-3g5iA:
undetectable		 5b8hA-3g5iA:
21.88
5b8hB-3g5iA:
21.88