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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@...
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 19 families.
1 1BWV - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (3)
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@H]([C....
2 5N9Z - CAP C6 H14 O13 P2 C([C@H]([C....
3 5MZ2 - CAP C6 H14 O13 P2 C([C@H]([C....
50% Homology Family (3)
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@H]([C....
2 5N9Z - CAP C6 H14 O13 P2 C([C@H]([C....
3 5MZ2 - 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 : 1BWV; Ligand: CAP; Similar sites found with APoc: 60
This union binding pocket(no: 1) in the query (biounit: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4WZH FMN 2.17391
2 3EXS 5RP 2.71493
3 1GTE FMN 3.62319
4 1GTE IUR 3.62319
5 5XFV FMN 3.65112
6 3C3N FMN 4.16667
7 1SW0 PGA 4.34783
8 1TRD PGH 4.34783
9 1TV5 FMN 4.34783
10 6BVE PGA 4.34783
11 1OX5 1PR 4.34783
12 2F6U CIT 4.70085
13 1W3T 3GR 5.07246
14 1QDS PGA 5.07246
15 2YPI PGA 5.07246
16 5EYW PGA 5.07246
17 2XZ9 PYR 5.24691
18 1OVD FMN 5.46624
19 1OVD ORO 5.46624
20 1VKF CIT 5.7971
21 5A1S FLC 5.7971
22 3KP6 SAL 5.7971
23 2BTM PGA 6.34921
24 3MJY FMN 6.52174
25 3MJY IJZ 6.52174
26 2VSS V55 6.52174
27 3GLC R5P 6.52174
28 3VKC FPQ 6.64336
29 1Q6O LG6 6.94444
30 5AHN IMP 7.24638
31 2Q8Z NUP 7.24638
32 4I9A NCN 7.24638
33 4BI7 PGA 7.7821
34 2Y88 2ER 7.78689
35 4JEJ 1GP 7.97101
36 2Z6I FMN 7.97101
37 3QH2 3NM 8.59729
38 3TAO PGH 8.61423
39 5FYR INS 8.69565
40 2NSX IFM 8.72211
41 4UTU LRY 8.73362
42 4UTW RFW 8.73362
43 2FLI DX5 9.42029
44 3BW2 FMN 9.42029
45 2C6Q NDP 9.42029
46 1M5W DXP 9.46502
47 4LOC OXM 9.93915
48 5DZT AMP 10.1449
49 5A5W GUO 11.5942
50 5W75 SUC 11.5942
51 4NAE 1GP 12
52 6BKA FMN 12.3188
53 4YMZ 13P 12.3506
54 3B0P FMN 13.4286
55 3OVR 5SP 14.4737
56 2Q3O FMN 16.6667
57 4CFU 2WC 17.3913
58 4BCN T9N 17.3913
59 5TCI MLI 18.1159
60 2OEM 1AE 36.5617
Pocket No.: 2; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1BWV; Ligand: CAP; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4ORM 2V6 4.34783
2 4ORM FMN 4.34783
3 4ORM ORO 4.34783
4 5EYY MDM 5.7971
5 1ICP FMN 7.97101
6 2XG5 EC2 8.25688
7 2XG5 EC5 8.25688
8 4IGH FMN 8.69565
9 4IGH ORO 8.69565
10 4IGH 1EA 8.69565
11 1UUO FMN 8.69565
12 1UUO ORO 8.69565
13 1UUO BRF 8.69565
14 4Z0G 5GP 11.3801
15 2Z6J FMN 15.2174
16 2HSA FMN 15.942
17 5X2N ALA 15.942
Pocket No.: 4; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1BWV; 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: 1bwv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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