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 26 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 21 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 15 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 (2D)
Ligand no: 1; Ligand: GLU LEU PRO PRO VAL LYS ILE HIS CYS; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU LEU PRO PRO VAL LYS ILE HIS CYS 1 1
2 GLU LEU PRO LEU VAL LYS ILE 0.566667 0.885246
3 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.556886 0.967213
4 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.531792 0.850746
5 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.514124 0.865672
6 SER HIS LYS ILE ASP ASN LEU ASP 0.5 0.80303
7 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.49162 0.880597
8 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.491329 0.878788
9 GLU LYS VAL HIS VAL GLN 0.490066 0.819672
10 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.484848 0.918033
11 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.473988 0.764706
12 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.472527 0.802817
13 HIS SER ILE THR TYR LEU LEU PRO VAL 0.47191 0.830986
14 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.468571 0.776119
15 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.465909 0.811594
16 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.465116 0.776119
17 SER HIS PRO ARG PRO ILE ARG VAL 0.456647 0.830986
18 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.452514 0.909091
19 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.451807 0.815385
20 HIS HIS ALA SER PRO ARG LYS 0.451429 0.746479
21 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.444444 0.74359
22 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.441989 0.842857
23 LEU SER SER PRO VAL THR LYS SER PHE 0.439306 0.779412
24 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.436464 0.742857
25 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.429379 0.850746
26 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.427778 0.90625
27 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.427027 0.842857
28 TYR TYR SER ILE ILE PRO HIS SER ILE 0.426136 0.805556
29 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.42487 0.8
30 TYR TYR SER ILE ALA PRO HIS SER ILE 0.424581 0.780822
31 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.423729 0.823529
32 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.423529 0.78125
33 LYS ARG ARG ARG HIS PRO SER 0.423529 0.768116
34 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.422222 0.857143
35 LYS ARG ARG ARG HIS PRO SER GLY 0.421965 0.760563
36 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.419355 0.823529
37 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.418605 0.791045
38 LYS PRO HIS SER ASP 0.417178 0.833333
39 GLY THR LYS PRO PRO LEU GLU GLU LEU A2G 0.414365 0.743243
40 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.411765 0.760563
41 ARG LEU TYR HIS SEP LEU PRO ALA 0.410526 0.703704
42 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.405882 0.727273
43 LEU PRO PHE ASP LYS THR THR ILE MET 0.405405 0.814286
44 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.404145 0.852941
45 SER HIS SEP SER PRO ALA SER LEU 0.402235 0.780822
46 ARG PRO LYS ARG ILE ALA 0.401198 0.818182
47 LYS PRO VAL LEU ARG THR ALA 0.401163 0.746479
48 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.4 0.708861
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU LEU PRO PRO VAL LYS ILE HIS CYS; Similar ligands found: 0
No: Ligand Similarity coefficient
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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1u00.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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