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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP B:476;
E:476;
H:476;
L:476;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.19 pM
356.115 C6 H14 O13 P2 C([C@...
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 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: CAP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DER 0.434783 0.918919
4 DEZ 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
8 HG3 0.404762 0.810811
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: 23
This union binding pocket(no: 1) in the query (biounit: 1rbo.bio1) has 132 residues
No: Leader PDB Ligand Sequence Similarity
1 3QH2 3NM 3.16742
2 1M5W DXP 3.7037
3 2Q8Z NUP 4.06504
4 3GLC R5P 4.40678
5 1SW0 PGA 4.87805
6 4I9A NCN 5.55556
7 4NAE 1GP 5.69106
8 4UTU LRY 5.69106
9 4UTW RFW 5.69106
10 3THR C2F 5.69106
11 3EXS 5RP 6.50407
12 1Q6O LG6 6.50407
13 5FYR INS 7.31707
14 1ELI PYC 8.13008
15 3B0P FMN 8.94309
16 1VKF CIT 9.57447
17 1W3T 3GR 10.2041
18 1QDS PGA 10.5691
19 4JEJ 1GP 11.0656
20 1W8S FBP 11.3821
21 4XJ6 GH3 13.0081
22 3OVR 5SP 13.8211
23 2OEM 1AE 40.1937
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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