Receptor
PDB id Resolution Class Description Source Keywords
1N1D 2 Å EC: 2.7.7.39 GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE COMPLEXED WITH CDP-GLYCEROL BACILLUS SUBTILIS ALPHA/BETA FOLD CYTIDYLYLTRANSFERASE NUCLEOTIDYLTRANSFERASE NEGATIVE COOPERATIVITY CDP-GLYCERO
Ref.: GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE. STRUCTURAL CHANGES INDUCED BY BINDING OF CDP-GLYCEROL AND THE ROLE OF LYSINE RESIDUES IN CATALYSIS J.BIOL.CHEM. V. 278 51863 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C2G A:130;
B:230;
C:330;
D:430;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
477.255 C12 H21 N3 O13 P2 C1=CN...
SO4 A:701;
B:705;
D:702;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N1D 2 Å EC: 2.7.7.39 GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE COMPLEXED WITH CDP-GLYCEROL BACILLUS SUBTILIS ALPHA/BETA FOLD CYTIDYLYLTRANSFERASE NUCLEOTIDYLTRANSFERASE NEGATIVE COOPERATIVITY CDP-GLYCERO
Ref.: GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE. STRUCTURAL CHANGES INDUCED BY BINDING OF CDP-GLYCEROL AND THE ROLE OF LYSINE RESIDUES IN CATALYSIS J.BIOL.CHEM. V. 278 51863 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N1D - C2G C12 H21 N3 O13 P2 C1=CN(C(=O....
2 1COZ - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
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 1N1D - C2G C12 H21 N3 O13 P2 C1=CN(C(=O....
2 1COZ - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
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 1N1D - C2G C12 H21 N3 O13 P2 C1=CN(C(=O....
2 1COZ - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2G; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 C2G 1 1
2 CDM 0.795181 0.933333
3 CDP 0.74026 0.957747
4 CTP 0.734177 0.957747
5 HF4 0.734177 0.957747
6 7XL 0.698795 0.985915
7 C 0.662338 0.943662
8 CAR 0.662338 0.943662
9 C5P 0.662338 0.943662
10 C5G 0.648352 0.958333
11 CDC 0.644444 0.817073
12 CXY 0.623656 0.958333
13 1AA 0.59 0.894737
14 AR3 0.552632 0.871429
15 CTN 0.552632 0.871429
16 C C C C 0.541667 0.930556
17 MCN 0.535714 0.809524
18 2AA 0.535714 0.721649
19 PMT 0.53211 0.8625
20 FN5 0.531532 0.909091
21 91P 0.531532 0.819277
22 C C 0.526316 0.916667
23 I5A 0.525641 0.805556
24 CSF 0.513043 0.909091
25 PCD 0.512605 0.772727
26 C3P 0.494118 0.929577
27 CSQ 0.485714 0.918919
28 CSV 0.485714 0.918919
29 GPC 0.478992 0.809524
30 C2P 0.476744 0.943662
31 16B 0.460674 0.88
32 DKZ 0.458824 0.76
33 C5P SIA 0.458333 0.932432
34 UTP 0.451613 0.901408
35 UDP 0.450549 0.901408
36 DCP 0.447917 0.891892
37 GTF 0.438776 0.866667
38 YYY 0.43617 0.891892
39 UPP 0.435644 0.876712
40 UDH 0.435644 0.881579
41 G C 0.429752 0.82716
42 5HM 0.423913 0.945205
43 UNP 0.42268 0.876712
44 GCQ 0.42268 0.866667
45 UFM 0.417476 0.902778
46 UPG 0.417476 0.902778
47 GDU 0.417476 0.902778
48 GUD 0.417476 0.902778
49 A C A C 0.416 0.848101
50 U A C C 0.416 0.835443
51 U2F 0.40566 0.855263
52 UPF 0.40566 0.855263
53 UFG 0.40566 0.855263
54 660 0.403846 0.916667
55 URM 0.403846 0.916667
56 TKW 0.402174 0.930556
57 UPU 0.4 0.901408
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N1D; Ligand: C2G; 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: 1n1d.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1N1D; Ligand: C2G; 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: 1n1d.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N1D; Ligand: C2G; 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: 1n1d.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1N1D; Ligand: C2G; 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: 1n1d.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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