Receptor
PDB id Resolution Class Description Source Keywords
2V6A 1.5 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, G344S 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:1477;
B:1477;
C:1477;
D:1477;
E:1477;
F:1477;
G:1477;
H:1477;
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:1478;
A:1479;
A:1480;
A:1481;
A:1482;
A:1483;
A:1484;
B:1478;
B:1479;
B:1480;
B:1481;
B:1482;
C:1478;
C:1479;
C:1480;
C:1481;
C:1482;
C:1483;
D:1478;
D:1479;
D:1480;
D:1481;
D:1482;
E:1478;
E:1479;
E:1480;
E:1481;
F:1478;
F:1479;
F:1480;
F:1481;
F:1482;
F:1483;
G:1478;
G:1479;
G:1480;
G:1481;
G:1482;
H:1478;
H:1479;
H:1480;
H:1481;
H:1482;
I:1141;
I:1142;
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;
P:1142;
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;
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;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:1476;
B:1476;
C:1476;
D:1476;
E:1476;
F:1476;
G:1476;
H:1476;
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
2V6A 1.5 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, G344S 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 2V6A - 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 2V6A - 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 2V6A - 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 : 2V6A; Ligand: CAP; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C6Q IMP 0.001883 0.40187 2.85714
2 2VSU V55 0.007958 0.42301 2.90909
3 1SW0 PGA 0.00241 0.43888 3.22581
4 5A1S FLC 0.006505 0.43424 3.57143
5 4PTN GXV 0.01233 0.41821 3.57143
6 3WIR BGC 0.01392 0.41652 3.57143
7 1VPD TLA 0.01688 0.4056 3.57143
8 2Q3O FMN 0.003467 0.40008 3.83632
9 1W3T 3GR 0.001005 0.46712 4.28571
10 4HKP 16B 0.001688 0.42874 4.28571
11 2Q8Z NUP 0.001382 0.41159 4.28571
12 4LOC OXM 0.01315 0.40683 4.28571
13 4HKP TKW 0.002804 0.40525 4.28571
14 2YPI PGA 0.003698 0.43469 4.45344
15 3VKC FPQ 0.004113 0.40268 4.54545
16 2QCD U5P 0.002022 0.42158 4.61538
17 1VKF CIT 0.01607 0.4148 4.78723
18 4UTW RFW 0.002913 0.42631 5
19 4I9A NCN 0.002963 0.42198 5
20 4YMZ 13P 0.009359 0.4195 5
21 5EYW PGA 0.01204 0.41402 5
22 2FLI DX5 0.00485 0.40549 5
23 3CTL S6P 0.005013 0.40488 5.19481
24 3TAO PGH 0.003852 0.43383 5.24345
25 4IXH IMP 0.002685 0.40102 5.54017
26 1EIX BMQ 0.007557 0.40399 5.68421
27 1M5W DXP 0.004607 0.43996 5.76132
28 2BTM PGA 0.01031 0.4174 5.95238
29 1TRD PGH 0.006372 0.41888 6
30 3AI3 SOE 0.01598 0.41227 6.08365
31 4UTU LRY 0.002148 0.43664 6.42857
32 4BI7 PGA 0.00659 0.4271 6.42857
33 3OVR 5SP 0.0009574 0.42333 6.42857
34 1DQX BMP 0.00233 0.41343 6.42857
35 1QDS PGA 0.002945 0.43948 7.14286
36 2F6U CIT 0.01077 0.42107 7.14286
37 4EWN 0VR 0.00665 0.4101 7.14286
38 3B0P FMN 0.002688 0.42788 7.85714
39 4AF0 IMP 0.001152 0.42025 7.85714
40 3S5W ONH 0.01139 0.41672 7.85714
41 1Q6O LG6 0.0007634 0.45257 7.87037
42 3EXS 5RP 0.0006976 0.46981 8.57143
43 4CFU 2WC 0.01391 0.40279 9.16031
44 2FFC U5P 0.007051 0.40188 9.28571
45 5TVM PUT 0.02906 0.40148 9.41177
46 2WZF BGC 0.02454 0.40258 10
47 5DYO FLU 0.02538 0.40521 10.5505
48 2NSX IFM 0.004452 0.42626 10.7143
49 5TCI MLI 0.01094 0.4236 10.7143
50 1LYX PGA 0.008063 0.41006 10.7143
51 4JEJ 1GP 0.000498 0.47127 11.4754
52 2AK3 AMP 0.02627 0.402 12.8571
53 2BLE 5GP 0.00458 0.41791 14.2857
54 3GLC R5P 0.01167 0.40641 14.2857
55 4UWH JXM 0.01085 0.40408 15
56 5FYR INS 0.01416 0.4185 15.7143
57 3QH2 3NM 0.002377 0.45465 16.4286
58 1JCM 137 0.007496 0.40415 17.8571
59 4NAE 1GP 0.0002132 0.51786 21.4286
60 4BXF AKG 0.02438 0.40401 31.5789
61 2OEM 1AE 0.000003451 0.57334 40.678
Pocket No.: 2; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2V6A; 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: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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