Receptor
PDB id Resolution Class Description Source Keywords
6kc4 1.37 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF HUMAN FER SH2 DOMAIN BOUND TO A PHOSPHO (DEPYENVD) HOMO SAPIENS SH2 DOMAIN SIGNALING PROTEIN TRANSFERASE-SIGNALING PROTEIN
Ref.: HIGH-RESOLUTION STRUCTURAL ANALYSIS SHOWS HOW DIFFE CRYSTALLOGRAPHIC ENVIRONMENTS CAN INDUCE ALTERNATIV OF BINDING OF A PHOSPHOTYROSINE PEPTIDE TO THE SH2 FER TYROSINE KINASE. PROTEIN SCI. V. 28 2011 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP GLU PTR GLU ASN VAL ASP D:1;
B:1;
J:1;
L:1;
H:1;
F:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
Atoms found LESS than expected: % Diff = 0.136;
Atoms found LESS than expected: % Diff = 0.136;
Atoms found LESS than expected: % Diff = 0.136;
Atoms found LESS than expected: % Diff = 0.136;
Atoms found LESS than expected: % Diff = 0.136;
 submit data
827.694 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6KC4 1.37 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF HUMAN FER SH2 DOMAIN BOUND TO A PHOSPHO (DEPYENVD) HOMO SAPIENS SH2 DOMAIN SIGNALING PROTEIN TRANSFERASE-SIGNALING PROTEIN
Ref.: HIGH-RESOLUTION STRUCTURAL ANALYSIS SHOWS HOW DIFFE CRYSTALLOGRAPHIC ENVIRONMENTS CAN INDUCE ALTERNATIV OF BINDING OF A PHOSPHOTYROSINE PEPTIDE TO THE SH2 FER TYROSINE KINASE. PROTEIN SCI. V. 28 2011 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 6KC4 - ASP GLU PTR GLU ASN VAL ASP 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 19 families.
1 6KC4 - ASP GLU PTR GLU ASN VAL ASP 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 7 families.
1 6KC4 - ASP GLU PTR GLU ASN VAL ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP GLU PTR GLU ASN VAL ASP; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLU PTR GLU ASN VAL ASP 1 1
2 LEU ASP GLU PTR VAL ALA THR ARG 0.690722 0.944444
3 LEU THR GLU PTR VAL ALA THR ARG 0.680412 0.928571
4 ACE PTR GLU GLU ILE GLU 0.60396 0.859649
5 ACE PTR GLU GLU ILE ACE 0.52381 0.875
6 ACE PTR GLU GLU GLY 0.519608 0.813559
7 SEP GLN GLU PTR 0.514019 0.859649
8 SER PTR VAL ASN VAL GLN ASN 0.512821 0.898305
9 BE2 GLU PTR ILE ASN GLN NH2 0.488189 0.854839
10 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.469388 0.69863
11 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.467742 0.754098
12 ASP PHE GLU GLU ILE 0.46729 0.678571
13 SER ASP PTR MET ASN MET THR PRO 0.467153 0.697368
14 ASN LYS PTR GLY ASN CA 0.466102 0.864407
15 GLU VAL PTR GLU SER PRO 0.464567 0.732394
16 ASP SEP TYR GLU VAL LEU ASP LEU 0.462687 0.864407
17 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.461538 0.60274
18 ASP PHE GLU ASP TYR GLU PHE ASP 0.45614 0.711864
19 ASP ALA ASP GLU FTY LEU NH2 0.454545 0.810345
20 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.45 0.909091
21 ASP ALA ASP GLU TYR LEU 0.448276 0.767857
22 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.446667 0.760563
23 ASP GLU THR ASN LEU 0.445455 0.701754
24 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.445205 0.691176
25 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.442623 0.666667
26 LEU GLU PHE GLN GLY 0.442478 0.644068
27 THR ASN GLU PHE TYR ALA 0.440678 0.758621
28 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.436242 0.75
29 GLY GLU ALA TPO VAL PTR ALA 0.428571 0.864407
30 ASP ALA GLU PHE ARG HIS ASP 0.427419 0.629032
31 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.425532 0.75
32 ACE PTR GLU DIP 0.424779 0.742424
33 ALA PTR ARG 0.419643 0.774194
34 PRO GLN PTR GLU PTR ILE PRO ALA 0.41958 0.684932
35 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.418605 0.677419
36 PRO GLN PTR GLU GLU ILE PRO ILE 0.412587 0.704225
37 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.411348 0.742857
38 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.409722 0.710145
39 SER GLN TYR TYR TYR ASN SER LEU 0.408333 0.725806
40 LEU PTR LEU 0.405941 0.836364
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP GLU PTR GLU ASN VAL ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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