Receptor
PDB id Resolution Class Description Source Keywords
7BP6 1.58 Å NON-ENZYME: OTHER STRUCTURAL INSIGHTS INTO NUCLEOSOME REORGANIZATION BY NAP1-R PROTEIN 1 (NRP1) ARABIDOPSIS THALIANA COMPLEX HISTONE PLANT PROTEIN NUCLEAR PROTEIN-CHAPERONE C
Ref.: NAP1-RELATED PROTEIN 1 (NRP1) HAS MULTIPLE INTERACT FOR CHAPERONING HISTONES H2A-H2B. PROC.NATL.ACAD.SCI.USA V. 117 30391 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ALA ASP GLU GLU ASP PHE A:226;
 Valid;
 Atoms found LESS than expected: % Diff = 0.051;
 submit data
791.724 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7BP6 1.58 Å NON-ENZYME: OTHER STRUCTURAL INSIGHTS INTO NUCLEOSOME REORGANIZATION BY NAP1-R PROTEIN 1 (NRP1) ARABIDOPSIS THALIANA COMPLEX HISTONE PLANT PROTEIN NUCLEAR PROTEIN-CHAPERONE C
Ref.: NAP1-RELATED PROTEIN 1 (NRP1) HAS MULTIPLE INTERACT FOR CHAPERONING HISTONES H2A-H2B. PROC.NATL.ACAD.SCI.USA V. 117 30391 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 7BP4 - ASP ASP ASP ASP TYR n/a n/a
2 7BP5 - ASN ASP PRO ASP TYR n/a n/a
3 7BP6 - ASP ALA ASP GLU GLU ASP PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 7BP4 - ASP ASP ASP ASP TYR n/a n/a
2 7BP5 - ASN ASP PRO ASP TYR n/a n/a
3 7BP6 - ASP ALA ASP GLU GLU ASP PHE n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 7BP4 - ASP ASP ASP ASP TYR n/a n/a
2 7BP5 - ASN ASP PRO ASP TYR n/a n/a
3 7BP6 - ASP ALA ASP GLU GLU ASP PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP ALA ASP GLU GLU ASP PHE; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ALA ASP GLU GLU ASP PHE 1 1
2 THR ASN GLU PHE ALA PHE 0.602273 0.818182
3 ALA GLU THR PHE 0.595238 0.840909
4 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.575758 0.808511
5 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.566038 0.8
6 ACE PHE ASP GLU MET GLU GLU CYS 0.553191 0.791667
7 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.536364 0.684211
8 ACE VAL PHE PHE ALA GLU ASP NH2 0.53125 0.860465
9 ASP ALA ASP GLU TYR LEU 0.525253 0.847826
10 VAL ASN ASP ILE PHE GLU ALA ILE 0.522936 0.866667
11 ASP PHE GLU ASP TYR GLU PHE ASP 0.520408 0.8125
12 GLU LEU ASP 1OL VAL GLU PHE 0.517857 0.844444
13 ASP PHE GLU GLU ILE 0.505376 0.904762
14 ACE MET GLU GLU VAL PHE 0.505263 0.75
15 GLU VAL ASN 1OL ALA GLU PHE 0.504348 0.808511
16 PHE GLU ASP LEU ARG VAL SER SER PHE 0.491667 0.684211
17 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.491667 0.684211
18 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.486486 0.78
19 ACE GLN ALC ASP LEU PHE 0.485981 0.808511
20 THR ASN GLU PHE TYR ALA 0.485437 0.795918
21 ALA THR ALA ALA ALA THR GLU ALA TYR 0.484848 0.847826
22 THR ASN GLU PHE TYR PHE 0.484211 0.75
23 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.483871 0.722222
24 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.483051 0.78
25 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.483051 0.660714
26 ASP ALA GLU PHE ARG HIS ASP 0.481481 0.77551
27 ALA GLU LYS ASP GLU LEU 0.477778 0.744681
28 ALA GLU ASP ASP VAL GLU 0.476744 0.902439
29 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.47541 0.727273
30 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.474576 0.769231
31 PHE LEU GLU LYS 0.474227 0.804348
32 ALA ALA TRP LEU PHE GLU ALA 0.465517 0.74
33 PHE ALA GLN 0.465116 0.85
34 TYR GLN PHE 0.461538 0.76087
35 ALA LEU ASP LEU PHE 0.45977 0.833333
36 ASP ALA ASP GLU FTY LEU NH2 0.458716 0.75
37 ALA ALA PHE 0.45679 0.725
38 ARG GLN ALA ASN PHE LEU GLY LYS 0.45283 0.734694
39 ACE LEU PHE 0.451219 0.744186
40 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.450382 0.655172
41 ALA GLN PHE SER ALA SER ALA SER ARG 0.449541 0.735849
42 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.447154 0.722222
43 PHE GLU ALA ASN GLY ASN LEU ILE 0.444444 0.795918
44 GLU ASN GLN LYS GLU TYR PHE PHE 0.444444 0.698113
45 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.441667 0.740741
46 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.441667 0.634921
47 ALA PHE 0.441558 0.725
48 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.441176 0.708333
49 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.44 0.677966
50 CYS THR GLU LEU LYS LEU SER ASP TYR 0.438017 0.740741
51 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.438017 0.816327
52 ACE ASP ALA ASP GLU FTY LEU NH2 0.4375 0.75
53 PRO GLU SEP LEU GLU SER CYS PHE 0.4375 0.666667
54 ASP PHE 0.4375 0.8
55 ASP ASP ASP ASP TYR 0.436782 0.795455
56 ALA GLU THR PHE TYR VAL ASP GLY 0.432432 0.795918
57 CYS ASP PTR ALA ASN PHE LYS 0.431579 0.804348
58 LEU GLU PHE GLN GLY 0.431373 0.804348
59 SER GLY ILE PHE LEU GLU THR SER 0.431193 0.76
60 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.42963 0.634921
61 ALA THR PRO PHE GLN GLU 0.42735 0.666667
62 ACE SER LEU ASN PHE 0.427083 0.72
63 GLU LEU ASP LYS TYR ALA SER 0.426087 0.769231
64 ACE ASN TRP GLU THR PHE 0.423729 0.722222
65 ARG ABA GLN ILE PHE ALA ASN ILE 0.423729 0.808511
66 ASP ALA GLU PHE ARG HIS ASP SER 0.422764 0.666667
67 GLU ILE ILE ASN PHE GLU LYS LEU 0.420168 0.76
68 ALA GLU ALA ALA GLN ALA 0.417582 0.85
69 ASP GLU ASP LYS TRP ASP ASP PHE 0.417391 0.730769
70 LEU PRO SER PHE GLU THR ALA LEU 0.417323 0.629032
71 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.416 0.678571
72 SER GLU ILE GLU PHE ALA ARG LEU 0.414634 0.678571
73 ASP GLU LEU GLU ILE LYS ALA TYR 0.413223 0.75
74 GLU GLU GLN GLU GLU TYR 0.411111 0.818182
75 GLU THR LEU GLU ASP SER VAL PHE 0.410526 0.765957
76 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.410256 0.722222
77 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.406977 0.804878
78 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.405941 0.679245
79 ILE ASN PHE ASP PHE ASN THR ILE 0.40566 0.77551
80 SER ILE ILE ASN PHE GLU LYS LEU 0.404959 0.75
81 SER SER ILE GLU PHE ALA ARG LEU 0.404762 0.696429
82 ALA LYS GLU LYS SER ASP 0.404255 0.714286
83 ARG GLU ASP GLN GLU THR ALA VAL 0.403846 0.8
84 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.403846 0.782609
85 ALA SER ASN GLU ASN ALA GLU THR MET 0.40367 0.698113
86 VAL GLN GLN GLU SER SER PHE VAL MET 0.403509 0.75
87 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.403101 0.645161
88 SER GLN ASN TYR 0.402062 0.74
89 KI2 PHE GLU GLU NH2 0.401869 0.692308
90 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.401869 0.770833
91 GLU ASN LEU TYR PHE GLN 0.401786 0.78
92 ALA TRP LEU PHE GLU ALA 0.401709 0.74
93 ARG TYR GLY PHE VAL ALA ASN PHE 0.401575 0.661017
94 ARG VAL LEU PHE GLU ALA MET 0.4 0.649123
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ALA ASP GLU GLU ASP PHE; 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 : 7BP6; Ligand: ASP ALA ASP GLU GLU ASP PHE; 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: 7bp6.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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