Receptor
PDB id Resolution Class Description Source Keywords
3AJ4 1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PH DOMAIN OF EVECTIN-2 FROM HUMAN C WITH O-PHOSPHO-L-SERINE HOMO SAPIENS ANTIPARALLEL BETA SHEET PROTEIN TRANSPORT
Ref.: INTRACELLULAR PHOSPHATIDYLSERINE IS ESSENTIAL FOR R MEMBRANE TRAFFIC THROUGH ENDOSOMES PROC.NATL.ACAD.SCI.USA V. 108 15846 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:112;
B:111;
B:112;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SEP A:111;
Valid;
none;
submit data
185.072 C3 H8 N O6 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AJ4 1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PH DOMAIN OF EVECTIN-2 FROM HUMAN C WITH O-PHOSPHO-L-SERINE HOMO SAPIENS ANTIPARALLEL BETA SHEET PROTEIN TRANSPORT
Ref.: INTRACELLULAR PHOSPHATIDYLSERINE IS ESSENTIAL FOR R MEMBRANE TRAFFIC THROUGH ENDOSOMES PROC.NATL.ACAD.SCI.USA V. 108 15846 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3AJ4 - SEP C3 H8 N O6 P C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3AJ4 - SEP C3 H8 N O6 P C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3AJ4 - SEP C3 H8 N O6 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SEP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 SEP 1 1
2 3PG 0.515152 0.74359
3 4TP 0.513514 0.833333
4 GSE 0.512195 0.833333
5 DEZ 0.459459 0.707317
6 DG2 0.459459 0.675
7 DER 0.459459 0.707317
8 RGP 0.45 0.871795
9 PA5 0.425 0.707317
10 R10 0.425 0.707317
11 PGA 0.40625 0.710526
12 OSE 0.405405 0.733333
13 LG6 0.404762 0.707317
14 6PG 0.404762 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AJ4; Ligand: SEP; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 3aj4.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EOU ATP 0.02517 0.41888 None
2 1U1W 3HA 0.01897 0.40814 None
3 5FL5 82E 0.01375 0.40653 1.78571
4 1P9B HDA 0.000009263 0.47562 3.57143
5 3E4O SIN 0.0006141 0.40991 3.57143
6 3X27 TRP 0.005264 0.43072 4.46429
7 1JDC GLC GLC GLC GLC 0.01665 0.42318 4.46429
8 5XQL C2E 0.0002443 0.41912 4.46429
9 1MDZ PLP 0.01931 0.41113 4.46429
10 1MDZ DCS 0.02012 0.41113 4.46429
11 2BNF UTP 0.005629 0.44996 5.35714
12 5HES 032 0.006843 0.43096 5.35714
13 3KEE 30B 0.01561 0.40445 5.35714
14 1IF7 SBR 0.01568 0.4408 6.25
15 3OZV FAD 0.01595 0.42368 6.25
16 5KL0 G16 0.0001327 0.51056 7.14286
17 5D63 FUC GAL GLA 0.01829 0.42716 7.14286
18 5GXU FAD 0.0151 0.42583 7.14286
19 4L80 OXL 0.00178 0.4123 7.14286
20 1QF5 RPL 0.004312 0.49873 8.92857
21 1PI5 SM2 0.01557 0.42677 11.6071
22 1UNQ 4IP 0.0004433 0.41463 33.0357
23 1FAO 4IP 0.00008982 0.42905 36.6071
24 1FHX 4IP 0.0001717 0.41962 39.2857
25 1FHW I5P 0.0005847 0.40965 39.2857
26 1U29 I3P 0.0004783 0.40454 40.1786
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