Receptor
PDB id Resolution Class Description Source Keywords
1RCO 2.3 Å EC: 4.1.1.39 SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR D-XYLULOSE-2, 2-DIOL-1,5-BISPHOSPHATE SPINACIA OLERACEA LYASE CARBON-CARBON
Ref.: A COMMON STRUCTURAL BASIS FOR THE INHIBITION OF RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE BY 4-CARBOXYARABINITOL 1,5-BISPHOSPHATE AND XYLULOSE 1,5-BISPHOSPHATE. J.BIOL.CHEM. V. 271 32894 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XDP B:476;
E:476;
H:476;
K:476;
L:476;
O:476;
R:476;
V:476;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
328.105 C5 H14 O12 P2 C([C@...
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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 19 families.
1 8RUC - CAP C6 H14 O13 P2 C([C@H]([C....
2 1UPM - CAP C6 H14 O13 P2 C([C@H]([C....
3 1AA1 - 3PG C3 H7 O7 P C([C@H](C(....
4 1RCO - XDP C5 H14 O12 P2 C([C@H]([C....
5 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C([C@H]([C....
6 1RXO - RUB C5 H12 O11 P2 C([C@H]([C....
7 1UPP - CAP C6 H14 O13 P2 C([C@H]([C....
8 1RCX - RUB C5 H12 O11 P2 C([C@H]([C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 8RUC - CAP C6 H14 O13 P2 C([C@H]([C....
2 1UPM - CAP C6 H14 O13 P2 C([C@H]([C....
3 1AA1 - 3PG C3 H7 O7 P C([C@H](C(....
4 1RCO - XDP C5 H14 O12 P2 C([C@H]([C....
5 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C([C@H]([C....
6 1RXO - RUB C5 H12 O11 P2 C([C@H]([C....
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@H]([C....
2 1UW9 - CAP C6 H14 O13 P2 C([C@H]([C....
3 8RUC - CAP C6 H14 O13 P2 C([C@H]([C....
4 1UPM - CAP C6 H14 O13 P2 C([C@H]([C....
5 1AA1 - 3PG C3 H7 O7 P C([C@H](C(....
6 1RCO - XDP C5 H14 O12 P2 C([C@H]([C....
7 1RBO Kd = 0.19 pM CAP C6 H14 O13 P2 C([C@H]([C....
8 1RXO - RUB C5 H12 O11 P2 C([C@H]([C....
9 1UPP - CAP C6 H14 O13 P2 C([C@H]([C....
10 1RCX - RUB C5 H12 O11 P2 C([C@H]([C....
11 1UZD - CAP C6 H14 O13 P2 C([C@H]([C....
12 1UZH - CAP C6 H14 O13 P2 C([C@H]([C....
13 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
14 1RBL - CAP C6 H14 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XDP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 XDP 1 1
2 CAP 0.543478 0.945946
3 HG3 0.459459 0.857143
4 M2P 0.435897 0.942857
5 GOS 0.435897 0.942857
6 E4P 0.404762 0.833333
7 R52 0.4 0.888889
8 R5P 0.4 0.888889
9 DG6 0.4 0.891892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RBO; Ligand: CAP; 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: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RBO; Ligand: CAP; 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: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1RBO; Ligand: CAP; 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: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1RBO; Ligand: CAP; 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: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1RBO; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
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