Receptor
PDB id Resolution Class Description Source Keywords
3LKF 1.9 Å NON-ENZYME: TOXIN_VIRAL LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND STAPHYLOCOCCUS AUREUS LEUKOTOXIN HEMOLYSIN PORE-FORMING TOXIN
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCAL LUKF DELINEATES CONFORMATIONAL CHANGES ACCOMPANYING FORMATION OF A TRANSMEMBRANE CHANNEL. NAT.STRUCT.BIOL. V. 6 134 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC A:300;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LKF 1.9 Å NON-ENZYME: TOXIN_VIRAL LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND STAPHYLOCOCCUS AUREUS LEUKOTOXIN HEMOLYSIN PORE-FORMING TOXIN
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCAL LUKF DELINEATES CONFORMATIONAL CHANGES ACCOMPANYING FORMATION OF A TRANSMEMBRANE CHANNEL. NAT.STRUCT.BIOL. V. 6 134 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LKF; Ligand: PC; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 3lkf.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q4K FMN 0.01331 0.40706 1.33779
2 3B4Y F42 0.03161 0.41423 1.67224
3 3I51 45C 0.01138 0.41032 1.85185
4 4A0M NAD 0.02549 0.41665 2.00669
5 2RI1 GLP 0.02021 0.40104 2.12766
6 1T26 NAI 0.009198 0.44445 2.34114
7 4O4K 2PK 0.0191 0.43489 2.34114
8 5KF6 NAD 0.02309 0.41742 2.34114
9 4GID 0GH 0.0297 0.4169 2.34114
10 4HA6 FAD 0.04776 0.41103 2.34114
11 2Z48 NGA 0.005232 0.40221 2.34114
12 2Y4N DLL 0.006758 0.42871 2.67559
13 2PTR 2SA 0.0184 0.42608 2.67559
14 3G5K BB2 0.02729 0.4131 2.73224
15 1SOW NAD 0.004832 0.44172 3.01003
16 1OJ7 NZQ 0.02198 0.41398 3.01003
17 2ZPA ACO 0.03482 0.40035 3.01003
18 1WVC CTP 0.02039 0.41592 3.0888
19 3WCS MAN NAG 0.0148 0.40233 3.14961
20 1D4O NAP 0.0135 0.43418 3.26087
21 3N3T C2E 0.03823 0.4004 3.40136
22 4AIG FLX 0.01409 0.40509 3.48259
23 3OII SAH 0.0245 0.40717 3.55731
24 1IYK MYA 0.02176 0.4191 3.67893
25 2J3M ATP 0.0495 0.40677 3.67893
26 3HAZ NAD 0.02551 0.40654 3.67893
27 2D3S TNR 0.01335 0.40549 3.71901
28 4JE7 BB2 0.04134 0.40419 4.06091
29 4OSP NAP 0.04926 0.40421 4.18251
30 1V7Z CRN 0.006426 0.41461 4.23077
31 4J51 N75 0.004654 0.43103 4.34783
32 1ZIN AP5 0.02776 0.4302 4.34783
33 1EM6 NBG 0.04827 0.42753 4.68227
34 2Q0L FAD 0.01869 0.40647 4.68227
35 3NUG NAD 0.01999 0.4252 4.8583
36 3OH3 UAD 0.03263 0.40815 5.01672
37 2BOY BHO 0.006256 0.42533 5.11811
38 2OOR TXP 0.01578 0.42367 5.17241
39 1EDO NAP 0.04051 0.40576 5.32787
40 2A92 NAI 0.01015 0.43615 5.35117
41 2ZAT NAP 0.0226 0.41588 5.38462
42 3LXN MI1 0.008758 0.42066 5.68562
43 2WOX NDP 0.01269 0.42016 5.68562
44 4DX5 MIY 0.03839 0.40163 5.91716
45 2EW5 Y12 0.02654 0.40812 6.07735
46 4PLG NAI 0.004565 0.45833 6.35452
47 3ZLB ANP 0.04974 0.40163 6.35452
48 5M3E APR 0.03263 0.41543 6.66667
49 2TOH HBI 0.00411 0.43243 6.68896
50 4MOB COA 0.02901 0.40877 7.02341
51 4GAH 0ET 0.04101 0.40354 7.17703
52 1DMH MCT 0.01065 0.42164 7.35786
53 2PEL LBT 0.01044 0.41068 7.62712
54 2PEL LAT 0.01011 0.40794 7.62712
55 1PS9 NAP 0.0293 0.41031 8.02676
56 4BX7 B4F 0.03127 0.40137 8.59375
57 4MUS 2D8 0.01387 0.40139 9.47867
58 3FB4 AP5 0.02712 0.42799 11.1111
59 3T3C 017 0.0163 0.42374 13.1313
60 4MRT COA 0.03381 0.41398 14.4444
61 1H5S TMP 0.01896 0.41649 15.0171
62 3GGU 017 0.01823 0.41805 16.1616
63 2Q8Z NUP 0.003752 0.4518 21.4047
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