Receptor
PDB id Resolution Class Description Source Keywords
1BWV 2.4 Å EC: 4.1.1.39 ACTIVATED RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (R COMPLEXED WITH THE REACTION INTERMEDIATE ANALOGUE 2-CARBOXY1 ,5-BISPHOSPHATE GALDIERIA PARTITA CARBON DIOXIDE FIXATION COMPLEX (RUBISCO-REACTION INTERMEDIHIGH SPECIFICITY FACTOR LYASE
Ref.: CRYSTAL STRUCTURE OF CARBOXYLASE REACTION-ORIENTED 1, 5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM A THER RED ALGA, GALDIERIA PARTITA. J.BIOL.CHEM. V. 274 15655 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:491;
C:491;
E:491;
G:491;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C(C(C...
MG A:490;
C:490;
E:490;
G:490;
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
1BWV 2.4 Å EC: 4.1.1.39 ACTIVATED RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (R COMPLEXED WITH THE REACTION INTERMEDIATE ANALOGUE 2-CARBOXY1 ,5-BISPHOSPHATE GALDIERIA PARTITA CARBON DIOXIDE FIXATION COMPLEX (RUBISCO-REACTION INTERMEDIHIGH SPECIFICITY FACTOR LYASE
Ref.: CRYSTAL STRUCTURE OF CARBOXYLASE REACTION-ORIENTED 1, 5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM A THER RED ALGA, GALDIERIA PARTITA. J.BIOL.CHEM. V. 274 15655 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1BWV - CAP C6 H14 O13 P2 C(C(C(C(CO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1BWV - CAP C6 H14 O13 P2 C(C(C(C(CO....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1BWV - CAP C6 H14 O13 P2 C(C(C(C(CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DEZ 0.434783 0.918919
4 DER 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BWV; Ligand: CAP; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4NAE 1GP 0.0002183 0.51543
2 2OEM 1AE 0.000022 0.48242
3 3EXS 5RP 0.0005378 0.47312
4 3EXS 5RP 0.0007732 0.46012
5 3QH2 3NM 0.001952 0.45701
6 3QH2 3NM 0.004117 0.44053
7 3OVR 5SP 0.001877 0.43053
8 1QDS PGA 0.004126 0.43045
9 2YPI PGA 0.004358 0.4293
10 1SW0 PGA 0.003515 0.42918
11 1M5W DXP 0.007181 0.42823
12 4UTU LRY 0.003029 0.42778
13 3B0P FMN 0.002826 0.42493
14 3B0P FMN 0.003135 0.4229
15 1Q6O LG6 0.001255 0.42259
16 1Q6O LG6 0.001255 0.42259
17 4I9A NCN 0.002797 0.42111
18 2Q8Z NUP 0.00427 0.4166
19 4JEJ 1GP 0.0008193 0.41466
20 2XZ9 PYR 0.01595 0.41312
21 2F6U CIT 0.01455 0.41259
22 2BTM PGA 0.01256 0.41131
23 2Y88 2ER 0.0128 0.40964
24 4IGH FMN 0.03371 0.40854
25 4IGH 1EA 0.03371 0.40854
26 4IGH ORO 0.03371 0.40854
27 3MJY FMN 0.01147 0.40847
28 3MJY IJZ 0.01147 0.40847
29 4CFU 2WC 0.01194 0.40413
30 2B4G FMN 0.01075 0.40335
31 2B4G FMN 0.01101 0.40288
32 1ICP FMN 0.01298 0.40234
33 1ICP FMN 0.013 0.40231
34 4UTW RFW 0.002542 0.40187
35 4UTW RFW 0.003573 0.40158
36 4BCN T9N 0.01394 0.40095
Pocket No.: 2; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 3; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 4; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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