Receptor
PDB id Resolution Class Description Source Keywords
5Z49 2.15 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF SYNECHOC ELONGATUS CMPR IN COMPLEX WITH RIBULOSE-1,5-BISPHOSPHATE SYNECHOCOCCUS ELONGATUS PCC 7942 TRANSCRIPTION FACTOR CYANOBACTERIA TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF SYNECHOCOCCUS ELONGATUS CMPR IN COMPLEX WITH RIBULO 1,5-BISPHOSPHATE. ACTA CRYSTALLOGR F STRUCT V. 74 506 2018 BIOL COMMUN
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RUB A:401;
 Valid;
 none;
 submit data
310.09 C5 H12 O11 P2 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5Z49 2.15 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF SYNECHOC ELONGATUS CMPR IN COMPLEX WITH RIBULOSE-1,5-BISPHOSPHATE SYNECHOCOCCUS ELONGATUS PCC 7942 TRANSCRIPTION FACTOR CYANOBACTERIA TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF SYNECHOCOCCUS ELONGATUS CMPR IN COMPLEX WITH RIBULO 1,5-BISPHOSPHATE. ACTA CRYSTALLOGR F STRUCT V. 74 506 2018 BIOL COMMUN
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5Z49 - RUB C5 H12 O11 P2 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5Z49 - RUB C5 H12 O11 P2 C([C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5Y2W Kd = 0.43 mM PGA C2 H5 O6 P C(C(=O)O)O....
2 5Z49 - RUB C5 H12 O11 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RUB; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 XBP 1 1
2 RUB 1 1
3 5RP 0.657895 0.944444
4 HMS 0.657895 0.944444
5 5SP 0.657895 0.944444
6 P6F 0.634146 0.942857
7 P6T 0.634146 0.942857
8 2FP 0.634146 0.942857
9 DEZ 0.578947 0.888889
10 DER 0.578947 0.888889
11 DXP 0.564103 0.861111
12 MRU 0.55814 0.871795
13 RES 0.52381 0.666667
14 F6R 0.477273 0.916667
15 TG6 0.477273 0.916667
16 HG3 0.472222 0.828571
17 PA5 0.465116 0.888889
18 R10 0.465116 0.888889
19 I22 0.456522 0.916667
20 M2P 0.447368 0.914286
21 GOS 0.447368 0.914286
22 9C2 0.446809 0.653061
23 LG6 0.444444 0.888889
24 6PG 0.444444 0.888889
25 4TP 0.44186 0.744186
26 PAN 0.425532 0.666667
27 E4P 0.414634 0.911765
28 A5P 0.404762 0.888889
29 LXP 0.404762 0.888889
30 LX1 0.404762 0.810811
31 DX5 0.404762 0.888889
32 3PG 0.4 0.885714
Similar Ligands (3D)
Ligand no: 1; Ligand: RUB; Similar ligands found: 13
No: Ligand Similarity coefficient
1 RI2 0.9603
2 IR8 0.9220
3 XDP 0.9089
4 AFP 0.8918
5 PAZ 0.8883
6 AHG 0.8845
7 FBP 0.8839
8 IR9 0.8825
9 HZZ 0.8824
10 CAP 0.8822
11 GAR 0.8807
12 KOH 0.8623
13 KD0 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5Z49; Ligand: RUB; 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: 5z49.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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