Receptor
PDB id Resolution Class Description Source Keywords
1AA1 2.2 Å EC: 4.1.1.39 ACTIVATED SPINACH RUBISCO IN COMPLEX WITH THE PRODUCT 3- PHOSPHOGLYCERATE SPINACIA OLERACEA OXIDOREDUCTASE LYASE (CARBON-CARBON)
Ref.: STRUCTURE OF A PRODUCT COMPLEX OF SPINACH RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE. BIOCHEMISTRY V. 36 4041 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG B:477;
B:478;
E:477;
E:478;
H:477;
H:478;
L:477;
L:478;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
186.057 C3 H7 O7 P C(C(C...
MG B:476;
E:476;
H:476;
L:476;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RBO 2.3 Å EC: 4.1.1.39 SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR 2-CARBOXYARABI DIPHOSPHATE SPINACIA OLERACEA LYASE CARBON-CARBON
Ref.: A COMMON STRUCTURAL BASIS FOR THE INHIBITION OF RIB 1,5-BISPHOSPHATE CARBOXYLASE BY 4-CARBOXYARABINITOL 1,5-BISPHOSPHATE AND XYLULOSE 1,5-BISPHOSPHATE. J.BIOL.CHEM. V. 271 32894 1996
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 8RUC - CAP C6 H14 O13 P2 C(C(C(C(CO....
2 1UPM - CAP C6 H14 O13 P2 C(C(C(C(CO....
3 1AA1 - 3PG C3 H7 O7 P C(C(C(=O)O....
4 1UPP - CAP C6 H14 O13 P2 C(C(C(C(CO....
5 1RCO - XDP C5 H14 O12 P2 C(C(C(C(CO....
6 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C(C(C(C(CO....
7 1RCX - RUB C5 H12 O11 P2 C(C(C(C(=O....
8 1RXO - RUB C5 H12 O11 P2 C(C(C(C(=O....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1UWA - CAP C6 H14 O13 P2 C(C(C(C(CO....
2 1UW9 - CAP C6 H14 O13 P2 C(C(C(C(CO....
3 1AA1 - 3PG C3 H7 O7 P C(C(C(=O)O....
4 1UPP - CAP C6 H14 O13 P2 C(C(C(C(CO....
5 1RCO - XDP C5 H14 O12 P2 C(C(C(C(CO....
6 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C(C(C(C(CO....
7 1RCX - RUB C5 H12 O11 P2 C(C(C(C(=O....
8 1RXO - RUB C5 H12 O11 P2 C(C(C(C(=O....
9 1UZH - CAP C6 H14 O13 P2 C(C(C(C(CO....
10 1UZD - CAP C6 H14 O13 P2 C(C(C(C(CO....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1UWA - CAP C6 H14 O13 P2 C(C(C(C(CO....
2 1UW9 - CAP C6 H14 O13 P2 C(C(C(C(CO....
3 8RUC - CAP C6 H14 O13 P2 C(C(C(C(CO....
4 1UPM - CAP C6 H14 O13 P2 C(C(C(C(CO....
5 1AA1 - 3PG C3 H7 O7 P C(C(C(=O)O....
6 1UPP - CAP C6 H14 O13 P2 C(C(C(C(CO....
7 1RCO - XDP C5 H14 O12 P2 C(C(C(C(CO....
8 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C(C(C(C(CO....
9 1RCX - RUB C5 H12 O11 P2 C(C(C(C(=O....
10 1RXO - RUB C5 H12 O11 P2 C(C(C(C(=O....
11 1UZH - CAP C6 H14 O13 P2 C(C(C(C(CO....
12 1RSC - XBP C5 H12 O11 P2 C(C(C(C(=O....
13 1RBL - CAP C6 H14 O13 P2 C(C(C(C(CO....
14 1UZD - CAP C6 H14 O13 P2 C(C(C(C(CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3PG; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 3PG 1 1
2 DEZ 0.575758 0.941176
3 DER 0.575758 0.941176
4 SEP 0.515152 0.74359
5 4TP 0.5 0.780488
6 R10 0.486486 0.941176
7 PA5 0.486486 0.941176
8 DG2 0.485714 0.909091
9 6PG 0.461538 0.941176
10 LG6 0.461538 0.941176
11 1GP 0.4375 0.852941
12 G3P 0.4375 0.852941
13 PGA 0.433333 0.90625
14 DXP 0.432432 0.911765
15 M2P 0.424242 0.857143
16 G3H 0.411765 0.9375
17 5SP 0.410256 0.837838
18 D5X 0.410256 0.941176
19 HMS 0.410256 0.837838
20 5RP 0.410256 0.837838
21 0V5 0.40625 0.727273
22 PEQ 0.40625 0.727273
23 RUB 0.4 0.885714
24 RES 0.4 0.659574
25 XBP 0.4 0.885714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4NAE 1GP 0.002828 0.52514
2 3EXS 5RP 0.003328 0.4994
3 3EXS 5RP 0.008613 0.48018
4 4I9A NCN 0.008722 0.46451
5 4UTU LRY 0.01999 0.45169
6 3B0P FMN 0.03343 0.43604
7 3B0P FMN 0.03555 0.43457
8 3GLC R5P 0.04953 0.43258
Pocket No.: 2; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 3; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1rbo.bio1) has 128 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 4; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1rbo.bio1) has 113 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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