Receptor
PDB id Resolution Class Description Source Keywords
2V67 2 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH A LARGE-SUBUNIT SUPRESSOR MUTATION T342I CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIOXIDE FIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATION METAL-BINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROPLAST CALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNESIUM ACETYLATION
Ref.: STRUCTURAL ANALYSIS OF ALTERED LARGE-SUBUNIT LOOP-6-CARBOXY-TERMINUS INTERACTIONS THAT INFLUENCE CATALYTIC EFFICIENCY AND CO2 O2 SPECIFICITY OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE BIOCHEMISTRY V. 46 11080 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:477;
B:477;
C:477;
D:477;
E:477;
F:477;
G:477;
H: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;
A:1481;
B:1476;
B:1477;
B:1478;
B:1479;
B:1480;
C:1476;
C:1477;
C:1478;
C:1479;
C:1480;
C:1481;
D:1476;
D:1477;
D:1478;
D:1479;
D:1480;
E:1476;
E:1477;
E:1478;
E:1479;
E:1480;
E:1481;
F:1476;
F:1477;
F:1478;
F:1479;
F:1480;
G:1476;
G:1477;
G:1478;
G:1479;
G:1480;
G:1481;
H:1476;
H:1477;
H:1478;
H:1479;
H:1480;
I:1141;
J:1141;
J:1142;
K:1141;
K:1142;
L:1141;
L:1142;
M:1141;
M:1142;
N:1141;
N:1142;
O:1141;
O:1142;
P:1141;
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;
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;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:476;
B:476;
C:476;
D:476;
E:476;
F:476;
G:476;
H: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
2V67 2 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH A LARGE-SUBUNIT SUPRESSOR MUTATION T342I CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIOXIDE FIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATION METAL-BINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROPLAST CALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNESIUM ACETYLATION
Ref.: STRUCTURAL ANALYSIS OF ALTERED LARGE-SUBUNIT LOOP-6-CARBOXY-TERMINUS INTERACTIONS THAT INFLUENCE CATALYTIC EFFICIENCY AND CO2 O2 SPECIFICITY OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE BIOCHEMISTRY V. 46 11080 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2V67 - 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 2V67 - 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 2V67 - 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 : 2V67; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2V67; Ligand: CAP; Similar sites found: 56
This union binding pocket(no: 6) in the query (biounit: 2v67.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AJ0 PH2 0.01117 0.40162 2.48227
2 2C6Q NDP 0.005143 0.42854 2.85714
3 2C6Q IMP 0.001926 0.42609 2.85714
4 2HSA FMN 0.004136 0.41793 2.85714
5 1OVD ORO 0.004408 0.42538 3.57143
6 1OVD FMN 0.004408 0.42538 3.57143
7 1UUO BRF 0.018 0.41307 3.57143
8 1UUO ORO 0.0168 0.41307 3.57143
9 3OPT AKG 0.03274 0.40025 3.57143
10 2Q3O FMN 0.004773 0.40607 3.83632
11 2Q8Z NUP 0.001849 0.42514 4.28571
12 4ORM FMN 0.01613 0.41924 4.28571
13 4ORM 2V6 0.01613 0.41924 4.28571
14 4ORM ORO 0.01613 0.41924 4.28571
15 3MI2 PFU 0.01188 0.41628 4.28571
16 4HKP TKW 0.002841 0.41554 4.28571
17 4HKP 16B 0.002206 0.41065 4.28571
18 2YPI PGA 0.004518 0.4323 4.45344
19 3VKC FPQ 0.005264 0.40255 4.54545
20 2QCD U5P 0.002256 0.4119 4.61538
21 4YMZ 13P 0.01142 0.41691 5
22 5EYW PGA 0.01489 0.41112 5
23 2FLI DX5 0.005685 0.40115 5
24 4I9A NCN 0.002421 0.40074 5
25 4IXH IMP 0.003451 0.4137 5.54017
26 4IGH ORO 0.02143 0.41396 5.64516
27 4IGH FMN 0.02143 0.41396 5.64516
28 4IGH 1EA 0.02143 0.41396 5.64516
29 3Q9T FAY 0.01285 0.40669 5.71429
30 1M5W DXP 0.008315 0.4109 5.76132
31 2XG5 EC5 0.02663 0.40578 5.78035
32 2XG5 EC2 0.02663 0.40578 5.78035
33 2B4G FMN 0.005788 0.4088 6.30915
34 5A5W GUO 0.003215 0.43476 6.42857
35 3OVR 5SP 0.001039 0.43386 6.42857
36 1DQX BMP 0.002717 0.41454 6.42857
37 1GTE FMN 0.008897 0.4096 6.42857
38 2F6U CIT 0.0113 0.42174 7.14286
39 4UTW RFW 0.003329 0.42555 7.42358
40 4AF0 IMP 0.001193 0.43135 7.85714
41 1Q6O LG6 0.0006757 0.42117 7.87037
42 1PVN MZP 0.01129 0.4102 8.57143
43 3EXS 5RP 0.0005623 0.4017 8.57143
44 4CFU 2WC 0.01243 0.40683 9.16031
45 5TVM PUT 0.02406 0.40698 9.41177
46 2Y88 2ER 0.004413 0.42423 10.2459
47 2TPS TPS 0.006072 0.40644 10.5727
48 3MJY FMN 0.007756 0.40989 11.4286
49 3MJY IJZ 0.007756 0.40989 11.4286
50 4JEJ 1GP 0.0004705 0.40988 11.4754
51 1LBF 137 0.008625 0.40136 13.7652
52 2BLE 5GP 0.00482 0.41366 14.2857
53 4UWH JXM 0.004295 0.42457 15
54 2Z6J FMN 0.007593 0.4065 17.8571
55 4NAE 1GP 0.0002207 0.51913 21.4286
56 2OEM 1AE 0.000003528 0.49529 40.9201
Pocket No.: 7; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2V67; 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: 2v67.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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