Receptor
PDB id Resolution Class Description Source Keywords
1JQN 2.35 Å EC: 4.1.1.31 CRYSTAL STRUCTURE OF E.COLI PHOSPHOENOLPYRUVATE CARBOXYLASE WITH MN2+ AND DCDP ESCHERICHIA COLI BETA BARREL MN2+ AND DCDP COMPLEX LYASE
Ref.: CRYSTAL STRUCTURES OF C4 FORM MAIZE AND QUATERNARY OF E. COLI PHOSPHOENOLPYRUVATE CARBOXYLASES. STRUCTURE V. 10 1721 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCO A:901;
Valid;
none;
submit data
234.959 C4 H5 Cl2 O5 P C(C(=...
MN A:902;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQN 2.35 Å EC: 4.1.1.31 CRYSTAL STRUCTURE OF E.COLI PHOSPHOENOLPYRUVATE CARBOXYLASE WITH MN2+ AND DCDP ESCHERICHIA COLI BETA BARREL MN2+ AND DCDP COMPLEX LYASE
Ref.: CRYSTAL STRUCTURES OF C4 FORM MAIZE AND QUATERNARY OF E. COLI PHOSPHOENOLPYRUVATE CARBOXYLASES. STRUCTURE V. 10 1721 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
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 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
2 3ZGE - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DCO; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DCO 1 1
2 PAE 0.5 0.714286
3 PPR 0.5 0.722222
4 7VD 0.423077 0.621622
Similar Ligands (3D)
Ligand no: 1; Ligand: DCO; Similar ligands found: 62
No: Ligand Similarity coefficient
1 XSP 0.9402
2 2PG 0.9377
3 CDV 0.9250
4 PEP 0.9085
5 PEZ 0.9072
6 G2H 0.9047
7 2CL 0.9023
8 SPV 0.9022
9 3PG 0.9011
10 4NG 0.9004
11 NFQ 0.8962
12 0V5 0.8961
13 PMF 0.8905
14 ISD 0.8899
15 TRA 0.8881
16 K5W 0.8878
17 PRZ 0.8877
18 CIT 0.8855
19 R9S 0.8850
20 JKE 0.8835
21 SEP 0.8830
22 3FH 0.8814
23 FLC 0.8799
24 OHP 0.8799
25 HPS 0.8798
26 ASC 0.8780
27 FB1 0.8776
28 GV9 0.8766
29 PZI 0.8744
30 REL 0.8742
31 FBV 0.8740
32 MZB 0.8739
33 Q6T 0.8733
34 NCD 0.8731
35 ORO 0.8730
36 DOR 0.8725
37 SC2 0.8722
38 GLC 0.8715
39 23J 0.8714
40 AIN 0.8706
41 B85 0.8698
42 F12 0.8691
43 QM1 0.8690
44 SYC 0.8685
45 FBT 0.8672
46 4SX 0.8661
47 AKH 0.8659
48 9KH 0.8659
49 DS0 0.8648
50 NTC 0.8648
51 KP6 0.8646
52 2AL 0.8644
53 7N0 0.8643
54 P22 0.8624
55 TRC 0.8618
56 ATH 0.8602
57 XCZ 0.8596
58 FBU 0.8586
59 OMD 0.8585
60 1AL 0.8581
61 3IT 0.8557
62 6XI 0.8535
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQN; Ligand: DCO; 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: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JQN; Ligand: DCO; 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: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JQN; Ligand: DCO; 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: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JQN; Ligand: DCO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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