Receptor
PDB id Resolution Class Description Source Keywords
1U00 1.95 Å NON-ENZYME: FOLDING HSCA SUBSTRATE BINDING DOMAIN COMPLEXED WITH THE ISCU RECOGNITION PEPTIDE ELPPVKIHC ESCHERICHIA COLI HSCA HSC66 DNAK HSP70 ISCU CHAPERONE
Ref.: CRYSTAL STRUCTURE OF THE MOLECULAR CHAPERONE HSCA SUBSTRATE BINDING DOMAIN COMPLEXED WITH THE ISCU RECOGNITION PEPTIDE ELPPVKIHC. J.MOL.BIOL. V. 342 1265 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU LEU PRO PRO VAL LYS ILE HIS CYS P:98;
Valid;
none;
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1020.29 n/a SCC(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U00 1.95 Å NON-ENZYME: FOLDING HSCA SUBSTRATE BINDING DOMAIN COMPLEXED WITH THE ISCU RECOGNITION PEPTIDE ELPPVKIHC ESCHERICHIA COLI HSCA HSC66 DNAK HSP70 ISCU CHAPERONE
Ref.: CRYSTAL STRUCTURE OF THE MOLECULAR CHAPERONE HSCA SUBSTRATE BINDING DOMAIN COMPLEXED WITH THE ISCU RECOGNITION PEPTIDE ELPPVKIHC. J.MOL.BIOL. V. 342 1265 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1U00 - GLU LEU PRO PRO VAL LYS ILE HIS CYS 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 18 families.
1 1U00 - GLU LEU PRO PRO VAL LYS ILE HIS CYS n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4EZX Kd = 1.6 uM ASN ARG LEU MET LEU THR GLY n/a n/a
2 4R5I Kd ~ 10 uM ASN ARG LEU LEU LEU THR GLY n/a n/a
3 4JWI - PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 n/a n/a
4 4EZQ Kd = 6.3 uM PRO PRO ARG PRO ILE TYR ASN ARG ASN n/a n/a
5 4EZR Kd = 6.3 uM SER HIS PRO ARG PRO ILE ARG VAL n/a n/a
6 4EZZ Kd = 6.4 uM GLU LEU PRO LEU VAL LYS ILE n/a n/a
7 4F00 - ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO n/a n/a
8 1DKX - ASN ARG LEU LEU LEU THR GLY n/a n/a
9 4E81 - ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO n/a n/a
10 1DKZ - ASN ARG LEU LEU LEU THR GLY n/a n/a
11 4EZT Kd = 7.4 uM PRO ARG ARG PRO VAL ILE MET ARG ARG n/a n/a
12 4EZW Kd = 1 uM ASN ARG LEU LEU LEU THR GLY n/a n/a
13 4EZY Kd = 2.26 uM ASN ARG LEU ILE LEU THR GLY n/a n/a
14 1U00 - GLU LEU PRO PRO VAL LYS ILE HIS CYS n/a n/a
15 4PO2 - ASN ARG LEU LEU LEU THR GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU LEU PRO PRO VAL LYS ILE HIS CYS; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU LEU PRO PRO VAL LYS ILE HIS CYS 1 1
2 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.558659 0.780822
3 GLU LEU PRO LEU VAL LYS ILE 0.547945 0.866667
4 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.542169 0.966667
5 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.508982 0.863636
6 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.508671 0.863636
7 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.503106 0.9
8 SER HIS LYS ILE ASP ASN LEU ASP 0.496855 0.787879
9 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.482955 0.878788
10 HIS SER ILE THR TYR LEU LEU PRO VAL 0.482759 0.828571
11 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.482143 0.75
12 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.47929 0.761194
13 SER HIS PRO ARG PRO ILE ARG VAL 0.479042 0.816901
14 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.477528 0.785714
15 GLU LYS VAL HIS VAL GLN 0.47619 0.786885
16 ASP ARG VAL TYR ILE HIS PRO PHE 0.47027 0.783784
17 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.465909 0.893939
18 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.460674 0.828571
19 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.459302 0.794118
20 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.450777 0.730769
21 HIS HIS ALA SER PRO ARG LYS 0.450292 0.732394
22 VAL TYR ILE HIS PRO PHE 0.447674 0.820895
23 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.447205 0.761194
24 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.445122 0.796875
25 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.441026 0.850746
26 TYR TYR SER ILE ALA PRO HIS SER ILE 0.44 0.777778
27 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.436782 0.820895
28 LYS ARG ARG ARG HIS PRO SER GLY 0.433735 0.746479
29 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.433526 0.802817
30 TYR TYR SER ILE ILE PRO HIS SER ILE 0.433526 0.802817
31 LYS ARG ARG ARG HIS PRO SER 0.432927 0.753623
32 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.429412 0.825397
33 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.429379 0.728571
34 ARG LEU TYR HIS SEP LEU PRO ALA 0.42623 0.691358
35 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.42328 0.705128
36 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.414634 0.833333
37 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.414365 0.794118
38 LYS PRO HIS SER ASP 0.4125 0.830769
39 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.412429 0.825397
40 TYR PRO LYS ARG ILE ALA 0.411765 0.760563
41 SER PRO LYS ARG ILE ALA 0.409938 0.742857
42 SER HIS SEP SER PRO ALA SER LEU GLN 0.409836 0.780822
43 HIS VAL GLY PRO ILE ALA 0.408805 0.95
44 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.407186 0.685714
45 SER ARG ASP HIS SER ARG THR PRO MET 0.405405 0.773333
46 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.405263 0.74026
47 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.404762 0.776119
48 ARG PRO LYS ARG ILE ALA 0.403727 0.80303
49 SER HIS SEP SER PRO ALA SER LEU 0.403409 0.777778
50 SER MET PRO GLU LEU SER PRO VAL LEU 0.402367 0.808824
51 PHE CYS HIS PRO GLN ASN THR NH2 0.401198 0.833333
52 LYS THR PHE PRO PRO THR GLU PRO LYS 0.40113 0.787879
53 LEU PRO PHE ASP LYS THR THR ILE MET 0.401099 0.797101
54 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.4 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U00; Ligand: GLU LEU PRO PRO VAL LYS ILE HIS CYS; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 1u00.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EGI ADP 0.01599 0.40463 None
2 4MPO AMP 0.022 0.40487 2.61438
3 4FGC PQ0 0.006604 0.42794 3.0303
4 4WS6 WBU 0.01931 0.40403 4.20168
5 2HV8 GTP 0.01671 0.4017 6.97674
6 1UY4 XYP XYP XYP XYP 0.02375 0.40163 11.4537
7 1NC4 DOF 0.02384 0.40269 15.4185
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