SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ipn'

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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 11 ILE B 435
SER B 414
PHE B  79
GLY B 416
PHE B  76
 None
 1.42A 1ho5A-4ipnB:
undetectable		 1ho5A-4ipnB:
23.25
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.
1MXF_A_MTXA1278_1
(PTERIDINE REDUCTASE
2)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 10 ARG B  80
SER B 124
TYR B 126
LEU B 178
LEU B 229
 None
None
1FT  B 501 (-4.7A)
None
None
 1.00A 1mxfA-4ipnB:
3.2		 1mxfA-4ipnB:
18.24
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.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 11 ARG B  80
SER B 124
TYR B 126
LEU B 178
LEU B 229
 None
None
1FT  B 501 (-4.7A)
None
None
 0.99A 1mxfB-4ipnB:
2.5		 1mxfB-4ipnB:
18.24
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.
1MXF_C_MTXC3278_1
(PTERIDINE REDUCTASE
2)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 11 ARG B  80
SER B 124
TYR B 126
LEU B 178
LEU B 229
 None
None
1FT  B 501 (-4.7A)
None
None
 0.98A 1mxfC-4ipnB:
2.9		 1mxfC-4ipnB:
18.24
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.
1MXF_D_MTXD4278_1
(PTERIDINE REDUCTASE
2)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 11 ARG B  80
SER B 124
TYR B 126
LEU B 178
LEU B 229
 None
None
1FT  B 501 (-4.7A)
None
None
 0.97A 1mxfD-4ipnB:
2.5		 1mxfD-4ipnB:
18.24
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.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		4 / 4 HIS B 260
VAL B 259
THR B 212
LEU B 289
 None
 1.50A 1oq5A-4ipnB:
undetectable		 1oq5A-4ipnB:
20.12
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		4 / 7 TYR B 391
HIS B 395
LEU B 345
TYR B 303
 None
None
None
1FT  B 501 ( 4.6A)
 1.05A 1tuvA-4ipnB:
undetectable		 1tuvA-4ipnB:
11.39
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.
2HTQ_A_ZMRA472_2
(NEURAMINIDASE)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		4 / 4 ASP B 141
TRP B 139
ILE B 145
ARG B 142
 None
 1.39A 2htqA-4ipnB:
undetectable		 2htqA-4ipnB:
21.61
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		4 / 8 HIS B 202
ILE B 185
ALA B 207
GLU B 204
 None
 0.85A 2x0pA-4ipnB:
undetectable		 2x0pA-4ipnB:
20.43
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.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		3 / 3 TYR B 159
GLU B  20
ASP B  59
 None
 0.85A 3bxoB-4ipnB:
undetectable		 3bxoB-4ipnB:
20.98
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.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		4 / 6 ASP B 141
TRP B 139
ILE B 145
ARG B 142
 None
 1.48A 3ckzA-4ipnB:
undetectable		 3ckzA-4ipnB:
20.32
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.
3FSU_E_C2FE995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 11 ASP B  51
SER B  86
GLN B  33
THR B  45
ARG B  87
 None
 1.44A 3fsuE-4ipnB:
3.6		 3fsuE-4ipnB:
23.23
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 12 GLU B  20
ARG B 158
VAL B 155
ILE B  88
ASN B  98
 None
 1.15A 3jb3A-4ipnB:
0.8		 3jb3A-4ipnB:
18.46
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		5 / 12 GLY B  57
SER B  82
TYR B 105
GLU B 127
TYR B  23
 None
 1.24A 5czyA-4ipnB:
0.9		 5czyA-4ipnB:
21.42
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE
(Streptococcus
pneumoniae) 		3 / 3 GLY B  40
GLY B  39
GLN B  33
 None
 0.37A 5imsA-4ipnB:
undetectable		 5imsA-4ipnB:
23.65