Receptor
PDB id Resolution Class Description Source Keywords
1D5Z 2 Å NON-ENZYME: IMMUNE X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIM SEB HOMO SAPIENS MHC CLASS II-SUPERANTIGEN COMPLEX IMMUNE SYSTEM-PEPTIDE INHCOMPLEX PEPTIDOMIMETIC INHIBITOR
Ref.: PEPTIDE AND PEPTIDE MIMETIC INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR CLASS II MHC MOLECULES. DESI STRUCTURE-ACTIVITY RELATIONSHIPS, AND X-RAY CRYSTAL STRUCTURES. J.MED.CHEM. V. 43 2135 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE ALC ARG ALA ODA SER LEU NH2 D:803;
Valid;
none;
submit data
860.007 n/a O=C1N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D5Z 2 Å NON-ENZYME: IMMUNE X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIM SEB HOMO SAPIENS MHC CLASS II-SUPERANTIGEN COMPLEX IMMUNE SYSTEM-PEPTIDE INHCOMPLEX PEPTIDOMIMETIC INHIBITOR
Ref.: PEPTIDE AND PEPTIDE MIMETIC INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR CLASS II MHC MOLECULES. DESI STRUCTURE-ACTIVITY RELATIONSHIPS, AND X-RAY CRYSTAL STRUCTURES. J.MED.CHEM. V. 43 2135 2000
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE ALC ARG ALA ODA SER LEU NH2; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALC ARG ALA ODA SER LEU NH2 1 1
2 ACE ALC ARG ALA MET CY1 SER LEU NH2 0.516556 0.670886
3 ACE ALC ARG MAA HAQ SEL 0.42515 0.765432
4 ACE ALC ARG MPQ MET ALA SER TBG NH2 0.420732 0.679012
5 LEU PRO PHE GLU ARG ALA THR VAL MET 0.40884 0.702381
6 ARG ARG PHE AIB ALA MET LEU ALA 0.408805 0.620253
7 VAL MET ALA PRO ARG THR LEU PHE LEU 0.405714 0.702381
8 ACE ARG ARG B3L MEA NH2 0.40411 0.697368
9 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.402367 0.7125
10 LEU PRO PHE GLU ARG ALA THR ILE MET 0.402174 0.694118
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D5Z; Ligand: ACE ALC ARG ALA ODA SER LEU NH2; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 1d5z.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XX4 BAM 0.02578 0.41517 4.16667
2 1NF8 BOG 0.006959 0.45233 4.6875
3 2HZQ STR 0.04082 0.40948 5.17241
4 1GEG GLC 0.02968 0.45167 5.20833
5 4XNV BUR 0.0174 0.43084 5.72917
6 1I0B PEL 0.03154 0.41673 5.85774
7 3G58 988 0.02542 0.41101 5.85774
8 5K53 STE 0.01126 0.40803 5.85774
9 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01119 0.44584 6.62983
10 4MOB ADP 0.02545 0.42023 6.77083
11 2VFT SOR 0.01922 0.41729 6.77083
12 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.03231 0.40933 6.77083
13 4QEK GLC 0.02089 0.41724 7.11297
14 1N5S ADL 0.001831 0.45559 7.14286
15 1W6P NDG GAL 0.01378 0.42714 7.46269
16 1GZW GAL BGC 0.009873 0.41424 7.46269
17 1W6O LAT 0.01411 0.40239 7.46269
18 4FFG 0U8 0.01058 0.43972 7.53138
19 1H0A I3P 0.02705 0.4234 7.59494
20 1NSZ GLC 0.04487 0.40172 7.8125
21 4RW3 PLM 0.02989 0.44173 8.33333
22 5N2F 8HW 0.01002 0.40443 8.87097
23 1ULE GLA GAL NAG 0.002202 0.47472 9.33333
24 2IYG FMN 0.03224 0.40216 9.67742
25 4WVW SLT 0.005102 0.46617 9.72222
26 1TV5 N8E 0.04339 0.40812 9.94475
27 4W9N TCL 0.02371 0.42063 10.0418
28 4I90 CHT 0.008482 0.44252 10.4972
29 2ZHL NAG GAL GAL NAG 0.002129 0.46143 10.8108
30 1C1L GAL BGC 0.006345 0.45303 11.6788
31 3B00 16A 0.02596 0.41054 12.1339
32 5DG2 GAL GLC 0.004898 0.45828 13.3333
33 3CYI ATP 0.03448 0.41239 13.6364
34 2BYC FMN 0.02521 0.40415 13.8686
35 3QRC SCR 0.01561 0.42507 14.0127
36 3RLF MAL 0.01547 0.42627 14.0625
37 3N7S 3N7 0.02634 0.42282 14.7826
38 4BG4 ARG 0.0244 0.42204 15.1042
39 3KP6 SAL 0.03089 0.42324 17.8808
40 5V4R MGT 0.02118 0.4283 19.7531
41 5E89 TD2 0.003184 0.44409 21.5827
42 2YMZ LAT 0.004484 0.45975 24.6154
43 1QKQ MAN 0.00344 0.47143 26.0563
44 5OCA 9QZ 0.005283 0.43179 27.6042
45 2VWA PTY 0.005814 0.45258 29.703
Feedback