SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2aie'

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.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		5 / 12 GLY P  69
ASP P  14
ILE P  13
TYR P 166
VAL P 170
 SB9  P 501 ( 4.9A)
None
None
SB9  P 501 (-4.5A)
SB9  P 501 ( 4.1A)
 0.96A 2hmyB-2aieP:
undetectable		 2hmyB-2aieP:
21.34
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		3 / 3 HIS P 173
ILE P  84
LEU P  52
 NI  P 502 ( 3.4A)
None
None
 0.72A 2kceA-2aieP:
undetectable		 2kceA-2aieP:
21.31
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 7 ILE P  19
ILE P   3
LEU P  44
ILE P   6
 None
 0.84A 2q83A-2aieP:
undetectable		 2q83A-2aieP:
19.77
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 8 LEU P 123
PRO P  89
VAL P  86
GLY P  71
 None
None
None
SB9  P 501 (-4.4A)
 1.10A 2qd5A-2aieP:
undetectable		 2qd5A-2aieP:
17.09
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		3 / 3 HIS P 173
GLU P 174
HIS P 177
 NI  P 502 ( 3.4A)
SB9  P 501 (-2.7A)
NI  P 502 ( 3.3A)
 0.18A 3kecB-2aieP:
undetectable		 3kecB-2aieP:
20.72
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.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 7 TYR P 109
VAL P  86
ILE P 175
MET P  49
 None
 1.30A 3ms9B-2aieP:
undetectable		 3ms9B-2aieP:
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 5 LEU P  52
HIS P 173
GLU P 174
HIS P 177
 None
NI  P 502 ( 3.4A)
SB9  P 501 (-2.7A)
NI  P 502 ( 3.3A)
 0.90A 4a7bB-2aieP:
undetectable		 4a7bB-2aieP:
20.70
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		5 / 12 LEU P  77
ALA P  85
ILE P  83
ALA P  74
ILE P 107
 None
 0.82A 4o2bD-2aieP:
undetectable		 4o2bD-2aieP:
18.41
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 7 GLN P  76
LEU P  72
ALA P 106
LEU P 104
 SB9  P 501 ( 2.7A)
None
None
None
 1.05A 5nwvA-2aieP:
undetectable		 5nwvA-2aieP:
17.12
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		4 / 7 ARG P  82
ALA P  73
ILE P  79
LEU P  44
 None
 0.96A 5te8C-2aieP:
undetectable		 5te8C-2aieP:
17.74
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		5 / 12 LEU P  77
ALA P  85
ILE P  83
ALA P  74
ILE P 107
 None
 0.87A 5xiwB-2aieP:
undetectable		 5xiwB-2aieP:
16.58
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.
5XIW_D_LOCD503_2
(TUBULIN BETA CHAIN)		 2aie PEPTIDE DEFORMYLASE
(Streptococcus
pneumoniae) 		5 / 12 LEU P  77
ALA P  85
ILE P  83
ALA P  74
ILE P 107
 None
 0.83A 5xiwD-2aieP:
undetectable		 5xiwD-2aieP:
16.58