Receptor
PDB id Resolution Class Description Source Keywords
1UZH 2.2 Å EC: 4.1.1.39 A CHIMERIC CHLAMYDOMONAS, SYNECHOCOCCUS RUBISCO ENZYME CHLAMYDOMONAS REINHARDTII LYASE RUBISCO PHOTOSYNTHESIS CARBON DIOXIDE FIXATION PHOTORESPIRATION OXIDOREDUCTASE MONOOXYGENASE CHLOROPLAST TRANSIT PEPTIDE MULTIGENE FAMILY
Ref.: CHIMERIC SMALL SUBUNITS INFLUENCE CATALYSIS WITHOUT CAUSING GLOBAL CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURE OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE BIOCHEMISTRY V. 44 9851 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:477;
B:477;
E:477;
H:477;
K:477;
O:477;
R:477;
V:477;
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@...
EDO A:1476;
A:1477;
A:1478;
A:1479;
A:1480;
B:1476;
B:1477;
B:1478;
B:1479;
B:1480;
B:1481;
C:1123;
E:1476;
E:1477;
E:1478;
E:1479;
E:1480;
F:1123;
H:1476;
H:1477;
H:1478;
H:1479;
H:1480;
H:1481;
J:1123;
K:1476;
K:1477;
K:1478;
K:1479;
K:1480;
M:1123;
O:1476;
O:1477;
O:1478;
O:1479;
O:1480;
P:1123;
R:1476;
R:1477;
R:1478;
R:1479;
R:1480;
T:1123;
V:1476;
V:1477;
V:1478;
V:1479;
V:1480;
V:1481;
W:1123;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:476;
B:476;
E:476;
H:476;
K:476;
O:476;
R:476;
V:476;
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
1UZH 2.2 Å EC: 4.1.1.39 A CHIMERIC CHLAMYDOMONAS, SYNECHOCOCCUS RUBISCO ENZYME CHLAMYDOMONAS REINHARDTII LYASE RUBISCO PHOTOSYNTHESIS CARBON DIOXIDE FIXATION PHOTORESPIRATION OXIDOREDUCTASE MONOOXYGENASE CHLOROPLAST TRANSIT PEPTIDE MULTIGENE FAMILY
Ref.: CHIMERIC SMALL SUBUNITS INFLUENCE CATALYSIS WITHOUT CAUSING GLOBAL CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURE OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE BIOCHEMISTRY V. 44 9851 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1UZH - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1UWA - CAP C6 H14 O13 P2 C([C@H]([C....
2 1UW9 - 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....
9 1UZD - CAP C6 H14 O13 P2 C([C@H]([C....
10 1UZH - 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 : 1UZH; Ligand: CAP; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 1uzh.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I9A NCN 0.003224 0.42223 2.08333
2 1AJ0 PH2 0.01028 0.40327 2.48227
3 1QDS PGA 0.003379 0.43846 3.27869
4 2ZZV LAC 0.01959 0.41704 3.27869
5 2Q8Z NUP 0.001681 0.42689 3.50877
6 4HKP 16B 0.002274 0.42506 3.52564
7 4HKP TKW 0.00339 0.4059 3.52564
8 3MI2 PFU 0.0124 0.41542 3.94265
9 1VPD TLA 0.01237 0.41472 4.09836
10 3WIR BGC 0.02108 0.40909 4.09836
11 5LE1 6UW 0.02439 0.40003 4.13534
12 5A5W GUO 0.003716 0.43193 4.91803
13 4YMZ 13P 0.009908 0.42 4.91803
14 4ORM ORO 0.01775 0.41725 4.91803
15 4ORM 2V6 0.01775 0.41725 4.91803
16 4ORM FMN 0.01775 0.41725 4.91803
17 2QCD U5P 0.002934 0.40963 4.91803
18 2FLI DX5 0.006049 0.40002 5
19 3GLC R5P 0.01625 0.40125 5.08475
20 3O75 F1X 0.01092 0.40569 5.14706
21 4IGH FMN 0.01858 0.41693 5.64516
22 4IGH ORO 0.01858 0.41693 5.64516
23 4IGH 1EA 0.01858 0.41693 5.64516
24 3OVR 5SP 0.0009442 0.42748 5.7377
25 1M5W DXP 0.01411 0.41675 5.76132
26 2XG5 EC5 0.02858 0.40305 5.78035
27 2XG5 EC2 0.02858 0.40305 5.78035
28 2BLE 5GP 0.005371 0.41163 5.99455
29 3AI3 SOE 0.01412 0.41674 6.08365
30 2B4G FMN 0.007447 0.4041 6.30915
31 2NSX IFM 0.003625 0.43235 6.55738
32 3MJY IJZ 0.009045 0.40696 6.55738
33 3MJY FMN 0.009045 0.40696 6.55738
34 3Q9T FAY 0.0132 0.40616 6.55738
35 4UTU LRY 0.00241 0.43623 7.37705
36 4UTW RFW 0.003294 0.42576 7.37705
37 1DQX BMP 0.003685 0.40902 7.37705
38 1Q6O LG6 0.0007111 0.42057 7.87037
39 3VKC FPQ 0.005961 0.40029 8.04196
40 2BTM PGA 0.0111 0.41753 8.19672
41 2F6U CIT 0.01585 0.41414 8.19672
42 4EWN 0VR 0.008892 0.40614 8.19672
43 2YPI PGA 0.004349 0.43311 9.01639
44 4AF0 IMP 0.001587 0.42615 9.01639
45 3B0P FMN 0.003647 0.42375 9.01639
46 4CFU 2WC 0.01438 0.4001 9.16031
47 5TVM PUT 0.0277 0.40298 9.41177
48 3EXS 5RP 0.0005456 0.47705 9.83607
49 2C6Q IMP 0.002597 0.40043 9.83607
50 2TPS TPS 0.007143 0.40343 10.5727
51 3QH2 3NM 0.003018 0.45123 11.3122
52 4UWH JXM 0.003801 0.42703 11.4754
53 4JEJ 1GP 0.0006465 0.40594 11.4754
54 1SW0 PGA 0.002707 0.43839 12.2951
55 5TCI MLI 0.01196 0.42338 12.2951
56 2Y88 2ER 0.005338 0.42056 14.7541
57 5EYW PGA 0.01229 0.4153 19.6721
58 4NAE 1GP 0.0002197 0.51977 20.4918
59 2OEM 1AE 0.000004371 0.49239 40.9201
Pocket No.: 2; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1UZH; 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: 1uzh.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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