Receptor
PDB id Resolution Class Description Source Keywords
2ZXC 2.2 Å EC: 3.5.1.23 CERAMIDASE COMPLEXED WITH C2 PSEUDOMONAS AERUGINOSA BETA-PRISM FOLD SURROUNDED BY SIX ALPHA HELIX HYDROLASE LIMETABOLISM SECRETED
Ref.: MECHANISTIC INSIGHTS INTO THE HYDROLYSIS AND SYNTHE CERAMIDE BY NEUTRAL CERAMIDASE. J.BIOL.CHEM. V. 284 9566 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2ED A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
341.529 C20 H39 N O3 CCCCC...
DMS B:652;
B:653;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
FMT A:648;
A:649;
A:650;
A:651;
B:648;
B:649;
B:650;
B:651;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
MG A:652;
B:654;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:647;
B:647;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZWS 1.4 Å EC: 3.5.1.23 CRYSTAL STRUCTURE ANALYSIS OF NEUTRAL CERAMIDASE FROM PSEUDO AERUGINOSA PSEUDOMONAS AERUGINOSA PRISM FOLD AND BETA-SANDWICH FOLD HYDROLASE LIPID METABOLISECRETED
Ref.: MECHANISTIC INSIGHTS INTO THE HYDROLYSIS AND SYNTHE CERAMIDE BY NEUTRAL CERAMIDASE. J.BIOL.CHEM. V. 284 9566 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZWS - PLM C16 H32 O2 CCCCCCCCCC....
2 2ZXC - 2ED C20 H39 N O3 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZWS - PLM C16 H32 O2 CCCCCCCCCC....
2 2ZXC - 2ED C20 H39 N O3 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZWS - PLM C16 H32 O2 CCCCCCCCCC....
2 2ZXC - 2ED C20 H39 N O3 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2ED; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 2ED 1 1
2 SPL 0.735849 0.97561
3 16C 0.735849 0.97561
4 18C 0.735849 0.97561
5 6CM 0.722222 0.97561
6 1PW 0.633333 0.716981
7 SPH 0.528302 0.804878
8 SQS 0.528302 0.804878
9 1PZ 0.507463 0.703704
10 1PX 0.507463 0.703704
11 S1P 0.421875 0.622642
12 03F 0.411765 0.740741
13 FO4 0.409639 0.603175
14 3XU 0.409639 0.603175
Similar Ligands (3D)
Ligand no: 1; Ligand: 2ED; Similar ligands found: 60
No: Ligand Similarity coefficient
1 NLG 0.9075
2 4VY 0.8951
3 ZZ2 0.8908
4 PCV 0.8896
5 8SZ 0.8874
6 FLC 0.8867
7 FUD 0.8862
8 3MF 0.8858
9 LPK 0.8857
10 NLQ 0.8851
11 CIT 0.8822
12 C4L 0.8820
13 AOR 0.8807
14 GLY LEU 0.8807
15 NZ9 0.8783
16 327 0.8751
17 TXW 0.8750
18 GLY MET 0.8749
19 SOL 0.8748
20 LEL 0.8746
21 SRO 0.8743
22 PSJ 0.8738
23 OKM 0.8737
24 XQI 0.8723
25 RD4 0.8707
26 TWO 0.8700
27 AOS 0.8699
28 HCA 0.8695
29 CDT 0.8692
30 NCD 0.8690
31 A08 0.8681
32 XEN 0.8680
33 58X 0.8678
34 LLH 0.8677
35 TT4 0.8674
36 0GY 0.8669
37 AME 0.8656
38 E79 0.8656
39 CKA 0.8654
40 NAG 0.8650
41 ARG 0.8648
42 HCT 0.8647
43 7ME 0.8644
44 LYS 0.8629
45 67X 0.8624
46 AZM 0.8619
47 PDC 0.8619
48 BZS 0.8616
49 CFA 0.8611
50 AH8 0.8602
51 39U 0.8597
52 MN9 0.8594
53 PD2 0.8576
54 XYH 0.8575
55 K82 0.8574
56 CS2 0.8556
57 1AL 0.8548
58 GAE 0.8548
59 0LO 0.8536
60 MLZ 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZWS; Ligand: PLM; 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: 2zws.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZWS; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2zws.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZWS; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2zws.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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