Receptor
PDB id Resolution Class Description Source Keywords
2V68 2.3 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, 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:1477;
A:1481;
A:1482;
A:1483;
A:1484;
B:1477;
B:1479;
B:1480;
B:1481;
C:1477;
C:1478;
C:1480;
C:1481;
C:1482;
D:1477;
D:1478;
D:1480;
D:1481;
E:1476;
E:1478;
E:1480;
F:1479;
F:1480;
F:1481;
F:1482;
F:1483;
F:1484;
G:1476;
G:1478;
G:1480;
H:1476;
H:1478;
H:1480;
H:1481;
H:1482;
H:1483;
I:1141;
I:1142;
J:1141;
J:1142;
K:1141;
K:1142;
L:1141;
M:1141;
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;
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
2V68 2.3 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, 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 2V68 - 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 2V68 - 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 2V68 - 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 : 2V68; Ligand: CAP; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C6Q NDP 0.005045 0.43218 2.85714
2 2C6Q IMP 0.00169 0.43217 2.85714
3 2HSA FMN 0.004067 0.42159 2.85714
4 1OVD ORO 0.004581 0.42794 3.57143
5 1OVD FMN 0.004581 0.42794 3.57143
6 1UUO FMN 0.01436 0.41914 3.57143
7 1UUO BRF 0.01537 0.41914 3.57143
8 1UUO ORO 0.01436 0.41914 3.57143
9 2Q3O FMN 0.004009 0.41261 3.83632
10 2Q8Z NUP 0.001575 0.43178 4.28571
11 3MI2 PFU 0.0105 0.42175 4.28571
12 4ORM FMN 0.01772 0.42009 4.28571
13 4ORM ORO 0.01772 0.42009 4.28571
14 4ORM 2V6 0.01772 0.42009 4.28571
15 4HKP 16B 0.002182 0.41617 4.28571
16 4HKP TKW 0.003426 0.41553 4.28571
17 1TV5 FMN 0.004914 0.41513 4.28571
18 3VKC FPQ 0.004516 0.40863 4.54545
19 2QCD U5P 0.002443 0.4181 4.61538
20 2FLI DX5 0.005402 0.40532 5
21 4I9A NCN 0.002958 0.40409 5
22 2Z6I FMN 0.005407 0.40703 5.12048
23 3CTL S6P 0.005954 0.40171 5.19481
24 1OYB FMN 0.007261 0.40317 5.25
25 1OYB HBA 0.009212 0.40317 5.25
26 4IXH IMP 0.003346 0.41768 5.54017
27 4IGH 1EA 0.01731 0.42119 5.64516
28 4IGH FMN 0.01731 0.42119 5.64516
29 4IGH ORO 0.01731 0.42119 5.64516
30 3Q9T FAY 0.0113 0.41217 5.71429
31 1M5W DXP 0.007324 0.41646 5.76132
32 3BW2 FMN 0.008676 0.40834 6.10526
33 2B4G FMN 0.005464 0.41311 6.30915
34 5A5W GUO 0.003025 0.4394 6.42857
35 3OVR 5SP 0.001043 0.43765 6.42857
36 1DQX BMP 0.002645 0.41854 6.42857
37 1GTE IUR 0.009105 0.41219 6.42857
38 1GTE FMN 0.009105 0.41219 6.42857
39 1OFD FMN 0.01745 0.40047 6.42857
40 4AF0 IMP 0.001105 0.43657 7.85714
41 5LIA 6XN 0.02996 0.41015 7.85714
42 4TMC FMN 0.004927 0.40876 7.85714
43 1Q6O LG6 0.0007533 0.42513 7.87037
44 2Y88 2ER 0.004133 0.42883 8.19672
45 1PVN MZP 0.01249 0.41115 8.57143
46 3EXS 5RP 0.0004789 0.41054 8.57143
47 1OX5 1PR 0.007431 0.40867 8.57143
48 1ME8 RVP 0.01861 0.40023 8.57143
49 2BPM 529 0.02663 0.4011 9.0566
50 4YNU LGC 0.02559 0.40425 10
51 2TPS TPS 0.005803 0.41049 10.5727
52 3MJY IJZ 0.006863 0.41537 11.4286
53 3MJY FMN 0.006863 0.41537 11.4286
54 4JEJ 1GP 0.000626 0.41268 11.4754
55 1LBF 137 0.008283 0.4052 13.7652
56 2BLE 5GP 0.003997 0.42051 14.2857
57 1EP2 ORO 0.009901 0.41055 16.4286
58 1EP2 FMN 0.009145 0.40469 16.4286
59 4WZH FMN 0.004128 0.41694 17.1429
60 2Z6J FMN 0.006771 0.4118 17.8571
61 2OEM 1AE 0.000003606 0.50288 40.9201
Pocket No.: 2; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2V68; 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: 2v68.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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