Receptor
PDB id Resolution Class Description Source Keywords
1RBL 2.2 Å EC: 4.1.1.39 STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPH CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301 SYNECHOCOCCUS ELONGATUS LYASE(CARBON-CARBON) LYASE
Ref.: STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM SYNECHO PCC6301. ACTA CRYSTALLOGR.,SECT.D V. 49 548 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:476;
B:476;
C:476;
D:476;
E:476;
F:476;
G:476;
H:476;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
FMT A:478;
B:478;
C:478;
D:478;
E:478;
F:478;
G:478;
H:478;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
MG A:477;
B:477;
C:477;
D:477;
E:477;
F:477;
G:477;
H:477;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
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
1RBL 2.2 Å EC: 4.1.1.39 STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5 BISPH CARBOXYLASE(SLASH)OXYGENASE FROM SYNECHOCOCCUS PCC6301 SYNECHOCOCCUS ELONGATUS LYASE(CARBON-CARBON) LYASE
Ref.: STRUCTURE DETERMINATION AND REFINEMENT OF RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM SYNECHO PCC6301. ACTA CRYSTALLOGR.,SECT.D V. 49 548 1993
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
2 1RBL - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1RSC - XBP C5 H12 O11 P2 C([C@H]([C....
2 1RBL - CAP C6 H14 O13 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 : 1RBL; Ligand: CAP; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JEJ 1GP 0.0006135 0.47101 2.45902
2 4GN8 ASO 0.01088 0.4038 2.67559
3 2BLE 5GP 0.004865 0.41034 2.75229
4 2FLI DX5 0.00492 0.40552 3.18182
5 2C6Q IMP 0.002031 0.40774 3.4188
6 4ORM ORO 0.01434 0.41892 3.66972
7 4ORM 2V6 0.01434 0.41892 3.66972
8 4ORM FMN 0.01434 0.41892 3.66972
9 5DYO FLU 0.01878 0.41575 4.24528
10 4HKP 16B 0.0008872 0.44475 4.48718
11 4HKP TKW 0.001354 0.42544 4.48718
12 5A1S FLC 0.008265 0.4317 4.58716
13 4EWN 0VR 0.006888 0.4129 4.58716
14 2GGH NLQ 0.01323 0.40343 4.58716
15 2DW7 SRT 0.02483 0.40148 4.58716
16 4LOC OXM 0.01816 0.40091 4.58716
17 3MI2 PFU 0.006157 0.42639 5.01792
18 2QCD U5P 0.0009633 0.43913 5.38462
19 3CTL S6P 0.007103 0.40195 5.62771
20 2F6U CIT 0.01416 0.4183 5.98291
21 2BTM PGA 0.00882 0.42422 6.34921
22 4NAE 1GP 0.0002037 0.52358 6.42202
23 3B0P FMN 0.002572 0.43246 6.42202
24 2NSX IFM 0.004064 0.43175 6.42202
25 3VSV XYP 0.01692 0.40993 6.42202
26 3B8I OXL 0.01887 0.40068 6.62021
27 3EXS 5RP 0.0005606 0.47845 7.33945
28 1QDS PGA 0.002843 0.44392 7.33945
29 4BI7 PGA 0.005892 0.43305 7.33945
30 3S5W ONH 0.01237 0.41806 7.33945
31 1DBT U5P 0.004447 0.41414 7.33945
32 2PEL LBT 0.01815 0.41271 7.33945
33 2XG5 EC2 0.02382 0.41029 7.33945
34 2XG5 EC5 0.02382 0.41029 7.33945
35 2GQS C2R 0.01081 0.40756 7.33945
36 2CYC TYR 0.02438 0.40714 7.33945
37 4I9A NCN 0.001899 0.43428 8.25688
38 4AF0 IMP 0.001388 0.425 8.25688
39 2PP3 LGT 0.006989 0.41261 8.25688
40 1IT7 GUN 0.01422 0.40958 8.25688
41 2ZZV LAC 0.02531 0.40677 8.25688
42 1VPD TLA 0.01809 0.40492 8.25688
43 2VSU V55 0.006808 0.42989 9.17431
44 1M5W DXP 0.02146 0.40892 9.17431
45 3WIR BGC 0.0238 0.40729 9.17431
46 1SW0 PGA 0.002501 0.44183 10.0917
47 1TRD PGH 0.005473 0.42556 10.0917
48 2Q8Z NUP 0.001196 0.42198 10.0917
49 1VKF CIT 0.01943 0.41352 10.1064
50 3QH2 3NM 0.002073 0.46143 10.8597
51 4UWH JXM 0.005701 0.42057 11.0092
52 2FFC U5P 0.004603 0.41348 11.0092
53 1DQX BMP 0.001199 0.43126 11.6105
54 1Q6O LG6 0.0002018 0.48291 12.037
55 4PTN GXV 0.01425 0.41861 12.844
56 3O75 F1X 0.00984 0.40947 12.844
57 4IXH IMP 0.003888 0.40179 12.844
58 2Y7G AAE 0.01264 0.40082 12.844
59 2D3S TNR 0.01142 0.40643 13.2231
60 1W3T 3GR 0.002419 0.44226 13.7615
61 4BCQ TJF 0.02074 0.40149 13.7615
62 5FYR INS 0.0132 0.42609 14.6789
63 5TVM PUT 0.02796 0.40342 14.6789
64 4UTW RFW 0.001291 0.44613 14.8472
65 4UTU LRY 0.001006 0.45576 15.2838
66 5TCI MLI 0.01247 0.42413 18.3486
67 1EIX BMQ 0.003236 0.42395 18.3486
68 5EYW PGA 0.01045 0.42051 18.3486
69 2YPI PGA 0.003666 0.4385 19.2661
70 2WZF BGC 0.03015 0.40094 19.2661
71 3VKC FPQ 0.004641 0.40658 22.0183
72 3OVR 5SP 0.001082 0.42945 23.8532
73 3GLC R5P 0.003266 0.43629 24.7706
74 4YMZ 13P 0.007705 0.42718 24.7706
75 4BXF AKG 0.01582 0.41678 31.5789
76 2OEM 1AE 0.000004287 0.4843 41.6465
Pocket No.: 2; Query (leader) PDB : 1RBL; 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: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1RBL; 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: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1RBL; 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: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1RBL; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1rbl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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