Receptor
PDB id Resolution Class Description Source Keywords
3E0M 2.4 Å EC: 1.8.4.11 CRYSTAL STRUCTURE OF FUSION PROTEIN OF MSRA AND MSRB STREPTOCOCCUS PNEUMONIAE FUSION MSRAB LINKER HINGE CELL MEMBRANE MEMBRANE MULTIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURAL AND KINETIC ANALYSIS OF AN MSRA-MSRB FUSION PROTEIN FROM STREPTOCOCCUS PNEUMONIAE MOL.MICROBIOL. V. 72 699 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER HIS MET ALA GLU ILE E:-1;
F:-1;
G:-1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
685.78 n/a S(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E0M 2.4 Å EC: 1.8.4.11 CRYSTAL STRUCTURE OF FUSION PROTEIN OF MSRA AND MSRB STREPTOCOCCUS PNEUMONIAE FUSION MSRAB LINKER HINGE CELL MEMBRANE MEMBRANE MULTIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURAL AND KINETIC ANALYSIS OF AN MSRA-MSRB FUSION PROTEIN FROM STREPTOCOCCUS PNEUMONIAE MOL.MICROBIOL. V. 72 699 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E0M - SER HIS MET ALA GLU ILE n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E0M - SER HIS MET ALA GLU ILE n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3E0M - SER HIS MET ALA GLU ILE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER HIS MET ALA GLU ILE; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 SER HIS MET ALA GLU ILE 1 1
2 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.57377 0.85
3 ALA SER ASN GLU HIS MET GLU THR MET 0.57377 0.933333
4 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.559055 0.836066
5 SER ARG MET GLU GLU VAL ASP 0.541284 0.762712
6 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.487805 0.725806
7 PHE ASN GLU LEU SER HIS LEU 0.482759 0.87931
8 ASP HIS ASP ALA HIS ALA 0.481818 0.728814
9 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.481481 0.758065
10 MET ASP TRP ASN MET HIS ALA ALA 0.477941 0.83871
11 HIS VAL ALA VAL GLU ASN ALA LEU 0.47619 0.779661
12 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.470588 0.762712
13 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.470149 0.836066
14 LYS SER HIS GLN GLU 0.466667 0.816667
15 SER HIS LYS ILE ASP ASN LEU ASP 0.463235 0.854839
16 ASP PHE GLU GLU ILE 0.451327 0.655172
17 ALA SER ASN GLU ASN ALA GLU THR MET 0.442623 0.783333
18 SER HIS PHE ASN GLU TYR GLU 0.442029 0.753846
19 THR SER ARG HIS LYS ALY LEU MET ALA 0.440559 0.797101
20 GLY ALA ARG ALA HIS SER SER 0.44 0.772727
21 GLU LEU ASP HIS TRP ALA SER 0.438849 0.806452
22 SER ARG ASP HIS SER ARG THR PRO MET 0.435065 0.756757
23 THR ASP HIS GLY ALA GLU 0.424 0.790323
24 GLU LYS VAL HIS VAL GLN 0.424 0.737705
25 SER GLU ILE GLU PHE ALA ARG LEU 0.423358 0.681818
26 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.422222 0.738462
27 MET GLU ASP TPO GLN ALA ILE ASP 0.421053 0.632353
28 SER LEU LEU MET TRP ILE THR GLN ALA 0.42069 0.84375
29 ASP ALA GLU PHE ARG HIS ASP SER 0.42029 0.69697
30 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.41958 0.793651
31 GLU ALA THR GLN LEU MET ASN 0.419355 0.716667
32 PHE GLU ALA ASN GLY ASN LEU ILE 0.419118 0.666667
33 SER LEU LEU MET TRP ILE THR GLN VAL 0.417808 0.84375
34 VAL ASN ASP ILE PHE GLU ALA ILE 0.410448 0.655738
35 SER LEU LEU MET TRP ILE THR GLN LEU 0.409722 0.84375
36 ASP ALA GLU PHE ARG HIS ASP 0.409091 0.69697
37 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.407407 0.868852
38 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.406667 0.716418
39 SER LEU LEU MET TRP ILE THR GLN CYS 0.405405 0.84375
40 SER SER ILE GLU PHE ALA ARG LEU 0.404255 0.671642
41 SER LEU LEU MET TRP ILE THR GLN SER 0.40411 0.84375
42 LYS HIS LYS 0.40367 0.711864
43 ACE 1PA GLU GLU ILE 0.403509 0.627119
44 ASP THR GLU MET GLU GLU VAL ASP 0.403361 0.733333
45 ASP TRP GLU ILE VAL 0.403101 0.704918
46 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.4 0.691176
47 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.4 0.731343
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E0M; Ligand: SER HIS MET ALA GLU ILE; Similar sites found: 22
This union binding pocket(no: 1) in the query (biounit: 3e0m.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MIB 28M 0.0374 0.42815 1.91693
2 1QX4 FAD 0.01841 0.42229 2.55474
3 4B0T ADP 0.02398 0.40521 2.8754
4 3AKK ADP 0.013 0.40672 3.51438
5 5BVE 4VG 0.03703 0.42368 3.83387
6 3ORK AGS 0.03013 0.40012 3.85852
7 4IPH 1FJ 0.02711 0.40248 4.87805
8 4NAT 2W5 0.02466 0.4186 5
9 4Q0L V14 0.02981 0.40036 5.32319
10 2XMY CDK 0.02165 0.43864 5.36913
11 1YRO UDP 0.01425 0.40492 5.69106
12 2E5A LAQ 0.01721 0.41672 6.07029
13 1Q8Y ADP 0.02138 0.40153 6.07029
14 3IX8 TX3 0.008856 0.42878 6.35838
15 4S3R 7SA 0.03422 0.40588 6.38978
16 5BNW 12V 0.04439 0.40094 7.02875
17 2RCU BUJ 0.04104 0.4179 7.34824
18 4NG2 OHN 0.01355 0.41788 7.9646
19 5FNU L6I 0.02562 0.40513 8.88158
20 4XIZ LPP 0.008296 0.43819 10
21 5ML3 DL3 0.03189 0.41165 10.0671
22 2GU8 796 0.02081 0.43425 15
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