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...
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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@H]([C....
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@H]([C....
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@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: 83
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) Sequence Similarity
1 1UO5 PIH 0.03543 0.41769 None
2 3EXS 5RP 0.0005378 0.47312 2.71493
3 3ZPG 5GP 0.02165 0.41421 2.89855
4 4K30 NLG 0.006415 0.40919 3.125
5 1YOA FMN 0.0006435 0.51341 3.14465
6 1ULE GLA GAL NAG 0.007951 0.41605 3.33333
7 2V5E SCR 0.006177 0.45 3.5
8 1BTN I3P 0.00889 0.45662 3.77358
9 2Q8H TF4 0.001682 0.46979 4.34783
10 1XE7 GUN 0.008597 0.43437 4.34783
11 1SW0 PGA 0.003515 0.42918 4.34783
12 1I0Z OXM 0.01178 0.4275 4.34783
13 1Z44 NPO 0.03666 0.41686 4.34783
14 2F6U CIT 0.01455 0.41259 4.70085
15 2V7T SAH 0.03038 0.40703 5.01672
16 1PEA ACM 0.006687 0.43235 5.07246
17 1QDS PGA 0.004126 0.43045 5.07246
18 2YPI PGA 0.004358 0.4293 5.07246
19 4LHM AZZ 0.008557 0.40911 5.07246
20 4R33 TRP 0.004993 0.40363 5.07246
21 4R33 SAH 0.004993 0.40363 5.07246
22 1C1L GAL BGC 0.003843 0.43667 5.10949
23 2XZ9 PYR 0.01595 0.41312 5.24691
24 1QO0 BMD 0.004125 0.42872 5.61225
25 2B4G FMN 0.01075 0.40335 5.67823
26 1RZM PEP 0.0007442 0.44792 5.7971
27 1H6C NDP 0.002198 0.42136 5.7971
28 3RF4 FUN 0.003024 0.42272 6.03448
29 1EB9 HBA 0.0005717 0.43484 6.10687
30 2BTM PGA 0.01256 0.41131 6.34921
31 4M5P MLA 0.000647 0.50118 6.38821
32 4RJK PYR 0.003437 0.47354 6.52174
33 3I0O SMI 0.007771 0.41091 6.52174
34 3MJY FMN 0.01147 0.40847 6.52174
35 1Y42 TYR 0.008813 0.40347 6.88775
36 1Q6O LG6 0.001255 0.42259 6.94444
37 3F81 STT 0.001774 0.46863 7.24638
38 1Y9Q MED 0.003709 0.43077 7.24638
39 4I9A NCN 0.002797 0.42111 7.24638
40 2Q8Z NUP 0.00427 0.4166 7.24638
41 2Y88 2ER 0.0128 0.40964 7.78689
42 1WDA BAG 0.0008903 0.43863 7.91075
43 1MZV AMP 0.001154 0.42858 7.97101
44 4JEJ 1GP 0.0008193 0.41466 7.97101
45 1ICP FMN 0.013 0.40231 7.97101
46 1RYD NDP 0.002539 0.41904 8.01034
47 2QLX RM4 0.00958 0.41836 8.33333
48 3QH2 3NM 0.001952 0.45701 8.59729
49 3QV9 QV7 0.0007482 0.45445 8.69565
50 1FDJ 2FP 0.0001488 0.41698 8.69565
51 1V7R CIT 0.03312 0.41164 8.69565
52 1Q11 TYE 0.009331 0.40244 8.69565
53 4UTU LRY 0.003029 0.42778 8.73362
54 4UTW RFW 0.003573 0.40158 8.73362
55 2PTR 2SA 0.002767 0.40471 9.42029
56 1M5W DXP 0.007181 0.42823 9.46502
57 1NNU TCT 0.003512 0.44283 10.0437
58 1NNU NAD 0.003512 0.44283 10.0437
59 1O9U ADZ 0.003762 0.45232 10.1449
60 4F8L GAL 0.0148 0.4387 10.1449
61 1V6A TRE 0.008926 0.40832 10.8696
62 1SS4 GSH 0.004119 0.47439 11.1111
63 1SS4 CIT 0.006942 0.43485 11.1111
64 3BY8 MLT 0.003803 0.43688 11.5942
65 2JBH 5GP 0.003131 0.41676 11.5942
66 1KTC NGA 0.01047 0.40035 11.5942
67 4NAE 1GP 0.0002183 0.51543 12
68 3MAG 3MA 0.005075 0.45446 12.3188
69 2NCD ADP 0.002204 0.43437 12.3188
70 3LTW HLZ 0.007388 0.41747 12.3188
71 2EB5 OXL 0.003273 0.43318 12.7341
72 3QDT A2G GAL 0.0005481 0.48439 13.0435
73 2XDQ MGX 0.0392 0.40116 13.0435
74 3B0P FMN 0.002826 0.42493 13.4286
75 3OVR 5SP 0.001877 0.43053 14.4737
76 4AF0 IMP 0.001229 0.44108 15.942
77 4CFU 2WC 0.01194 0.40413 17.3913
78 4BCN T9N 0.01394 0.40095 17.3913
79 1TUV VK3 0.01809 0.41814 18.4211
80 2E1A MSE 0.004316 0.41117 21.3333
81 2Z9V PXM 0.00888 0.40333 25.3623
82 1G8S MET 0.00948 0.41265 30
83 2OEM 1AE 0.000022 0.48242 36.5617
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) Sequence Similarity
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) Sequence Similarity
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) Sequence Similarity
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