Receptor
PDB id Resolution Class Description Source Keywords
2A1L 2.18 Å NON-ENZYME: OTHER RAT PITP-BETA COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF PITPBETA IN COMPLEX WITH PHOSPHATIDYLCHOLINE: COMPARISON OF STRUCTURE AND LIPID TRANSFER TO OTHER PITP ISOFORMS. BIOCHEMISTRY V. 44 14760 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCW A:501;
Valid;
none;
submit data
787.121 C44 H85 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A1L 2.18 Å NON-ENZYME: OTHER RAT PITP-BETA COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF PITPBETA IN COMPLEX WITH PHOSPHATIDYLCHOLINE: COMPARISON OF STRUCTURE AND LIPID TRANSFER TO OTHER PITP ISOFORMS. BIOCHEMISTRY V. 44 14760 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PCW; Similar ligands found: 101
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 PLD 0.871429 0.981481
4 HGP 0.871429 0.981481
5 HGX 0.871429 0.981481
6 LIO 0.871429 0.981481
7 PX4 0.871429 0.981481
8 6PL 0.871429 0.981481
9 PC7 0.871429 0.981481
10 6OU 0.826667 0.79661
11 L9Q 0.826667 0.79661
12 LOP 0.826667 0.79661
13 XP5 0.816901 0.981481
14 RXY 0.815789 0.79661
15 ZPE 0.782051 0.79661
16 HXG 0.763889 0.981481
17 LBN 0.7625 0.925926
18 L9R 0.7625 0.925926
19 POV 0.7625 0.925926
20 PCK 0.753086 0.929825
21 D3D 0.746835 0.706897
22 PGW 0.746835 0.706897
23 PGV 0.7375 0.706897
24 DR9 0.7375 0.706897
25 P6L 0.728395 0.706897
26 GP7 0.72619 0.79661
27 42H 0.721519 0.964286
28 D21 0.72 0.732143
29 P50 0.719512 0.762712
30 OZ2 0.719512 0.706897
31 PEH 0.706667 0.779661
32 PEV 0.706667 0.779661
33 8PE 0.706667 0.779661
34 PTY 0.706667 0.779661
35 3PE 0.706667 0.779661
36 PEF 0.706667 0.779661
37 9PE 0.697368 0.779661
38 PEK 0.682353 0.79661
39 PEE 0.675325 0.79661
40 B7N 0.670588 0.66129
41 DLP 0.659091 0.925926
42 PCF 0.65 0.907407
43 PC1 0.65 0.907407
44 MC3 0.65 0.907407
45 CD4 0.649351 0.714286
46 EPH 0.634409 0.79661
47 PGT 0.632911 0.689655
48 LHG 0.632911 0.689655
49 PIE 0.625 0.645161
50 P5S 0.617284 0.733333
51 LP3 0.607595 0.946429
52 LAP 0.607595 0.946429
53 LPC 0.607595 0.946429
54 K6G 0.607595 0.946429
55 P3A 0.606742 0.706897
56 8SP 0.604938 0.733333
57 F57 0.6 0.714286
58 7PH 0.6 0.714286
59 3PH 0.6 0.714286
60 LPP 0.6 0.714286
61 6PH 0.6 0.714286
62 PX8 0.592105 0.759259
63 7P9 0.592105 0.714286
64 PX2 0.592105 0.759259
65 CN3 0.588235 0.714286
66 PA8 0.578947 0.759259
67 OPC 0.571429 0.981818
68 PII 0.564706 0.645161
69 CN6 0.564706 0.714286
70 PIZ 0.561798 0.645161
71 PGK 0.555556 0.655738
72 PD7 0.552632 0.714286
73 T7X 0.552083 0.66129
74 PIF 0.551724 0.634921
75 IP9 0.550562 0.645161
76 44G 0.54321 0.689655
77 CDL 0.542169 0.709091
78 DGG 0.537634 0.655738
79 3XU 0.537634 0.825397
80 M7U 0.535714 0.714286
81 52N 0.533333 0.634921
82 PIO 0.533333 0.634921
83 PSF 0.53012 0.733333
84 43Y 0.525641 0.944444
85 PG8 0.517647 0.689655
86 S12 0.516854 0.733333
87 NKP 0.512195 0.701754
88 PDK 0.509804 0.765625
89 44E 0.506494 0.714286
90 PC5 0.5 0.810345
91 SPU 0.5 0.819672
92 8ND 0.5 0.603448
93 AGA 0.488636 0.689655
94 3PC 0.477273 0.888889
95 LPX 0.47619 0.762712
96 PQJ 0.421053 0.87037
97 LPE 0.418605 0.892857
98 FO4 0.415842 0.825397
99 CN5 0.406593 0.732143
100 NKO 0.402439 0.684211
101 NKN 0.402439 0.684211
Similar Ligands (3D)
Ligand no: 1; Ligand: PCW; 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 : 2A1L; Ligand: PCW; 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: 2a1l.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback