SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1jn1'

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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		4 / 7 PHE A  82
LEU A  45
VAL A 130
VAL A 128
 None
 0.88A 1epbA-1jn1A:
undetectable		 1epbA-1jn1A:
20.11
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 GLY A   7
CYH A 149
ASP A  47
ALA A  44
ALA A  41
 None
 1.22A 2br4B-1jn1A:
undetectable		 2br4B-1jn1A:
21.22
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.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		4 / 4 ASP A   9
ASP A  57
ASP A  37
GLY A  31
 CO  A 201 (-2.5A)
None
None
None
 1.39A 2igtC-1jn1A:
undetectable		 2igtC-1jn1A:
20.58
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.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 LEU A 121
PHE A  82
ILE A  49
LEU A  45
ASP A  73
 None
 1.22A 3ko0A-1jn1A:
undetectable
3ko0B-1jn1A:
undetectable
3ko0C-1jn1A:
undetectable
3ko0D-1jn1A:
undetectable		 3ko0A-1jn1A:
20.67
3ko0B-1jn1A:
20.67
3ko0C-1jn1A:
20.67
3ko0D-1jn1A:
20.67
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.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 ASP A  73
LEU A 121
PHE A  82
ILE A  49
LEU A  45
 None
 1.17A 3ko0G-1jn1A:
undetectable
3ko0H-1jn1A:
undetectable
3ko0I-1jn1A:
undetectable
3ko0J-1jn1A:
undetectable		 3ko0G-1jn1A:
20.67
3ko0H-1jn1A:
20.67
3ko0I-1jn1A:
20.67
3ko0J-1jn1A:
20.67
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.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 11 ASP A  73
LEU A  45
LEU A 121
PHE A  82
ILE A  49
 None
 1.17A 3ko0A-1jn1A:
undetectable
3ko0B-1jn1A:
undetectable
3ko0I-1jn1A:
undetectable
3ko0J-1jn1A:
undetectable		 3ko0A-1jn1A:
20.67
3ko0B-1jn1A:
20.67
3ko0I-1jn1A:
20.67
3ko0J-1jn1A:
20.67
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.
3KO0_K_TFPK202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 LEU A 121
PHE A  82
ILE A  49
LEU A  45
ASP A  73
 None
 1.19A 3ko0K-1jn1A:
undetectable
3ko0L-1jn1A:
undetectable
3ko0S-1jn1A:
undetectable
3ko0T-1jn1A:
undetectable		 3ko0K-1jn1A:
20.67
3ko0L-1jn1A:
20.67
3ko0S-1jn1A:
20.67
3ko0T-1jn1A:
20.67
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 LEU A  45
LEU A 121
PHE A  82
ILE A  49
ASP A  73
 None
 1.23A 3ko0K-1jn1A:
undetectable
3ko0L-1jn1A:
undetectable
3ko0M-1jn1A:
undetectable
3ko0N-1jn1A:
undetectable		 3ko0K-1jn1A:
20.67
3ko0L-1jn1A:
20.67
3ko0M-1jn1A:
20.67
3ko0N-1jn1A:
20.67
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.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 ASP A  73
LEU A  45
LEU A 121
PHE A  82
ILE A  49
 None
 1.17A 3ko0M-1jn1A:
undetectable
3ko0N-1jn1A:
undetectable
3ko0O-1jn1A:
undetectable
3ko0P-1jn1A:
undetectable		 3ko0M-1jn1A:
20.67
3ko0N-1jn1A:
20.67
3ko0O-1jn1A:
20.67
3ko0P-1jn1A:
20.67
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		6 / 12 ILE A  58
GLY A  51
GLY A  56
ILE A  49
ALA A  81
ALA A 153
 None
 1.34A 4kicB-1jn1A:
undetectable		 4kicB-1jn1A:
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		5 / 12 VAL A  95
CYH A 123
GLN A 122
LEU A  78
ILE A  49
 None
 1.37A 4kukA-1jn1A:
undetectable		 4kukA-1jn1A:
25.56
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Haemophilus
influenzae) 		4 / 7 ASP A  73
ARG A  79
ASP A 120
GLU A 119
 None
 1.31A 6mn5E-1jn1A:
0.0		 6mn5E-1jn1A:
20.14