Receptor
PDB id Resolution Class Description Source Keywords
2BHW 2.5 Å NON-ENZYME: BINDING PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION PISUM SATIVUM LHC-II PHOTOSYNTHESIS LIGHT-HARVESTING MEMBRANE PROTEIN CHLOROPHYLL CHLOROPLAST CHROMOPHORE MEMBRANE PHOSPHORYLATION PHOTOSYSTEM I PHOTOSYSTEM II PLASTID THYLAKOID TRANSIT PEPTIDE TRANSMEMBRANE
Ref.: MECHANISMS OF PHOTOPROTECTION AND NONPHOTOCHEMICAL QUENCHING IN PEA LIGHT-HARVESTING COMPLEX AT 2.5 A RESOLUTION. EMBO J. V. 24 919 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHL A:609;
A:610;
A:611;
A:612;
A:613;
A:614;
B:609;
B:610;
B:611;
B:612;
B:613;
B:614;
C:609;
C:610;
C:611;
C:612;
C:613;
C:614;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
907.472 C55 H70 Mg N4 O6 CCC1=...
CLA A:601;
A:602;
A:603;
A:604;
A:605;
A:606;
A:607;
A:608;
B:601;
B:602;
B:603;
B:604;
B:605;
B:606;
B:607;
B:608;
C:601;
C:602;
C:603;
C:604;
C:605;
C:606;
C:607;
C:608;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
893.489 C55 H72 Mg N4 O5 CCC1=...
DGD A:802;
B:802;
C:802;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
949.299 C51 H96 O15 CCCCC...
LHG A:801;
B:801;
C:801;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
722.97 C38 H75 O10 P CCCCC...
LUX A:501;
A:502;
B:501;
B:502;
C:501;
C:502;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
584.998 C40 H72 O2 CC1=C...
NEX A:503;
B:503;
C:503;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
600.87 C40 H56 O4 CC(=C...
XAT A:504;
B:504;
C:504;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
600.87 C40 H56 O4 C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BHW 2.5 Å NON-ENZYME: BINDING PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION PISUM SATIVUM LHC-II PHOTOSYNTHESIS LIGHT-HARVESTING MEMBRANE PROTEIN CHLOROPHYLL CHLOROPLAST CHROMOPHORE MEMBRANE PHOSPHORYLATION PHOTOSYSTEM I PHOTOSYSTEM II PLASTID THYLAKOID TRANSIT PEPTIDE TRANSMEMBRANE
Ref.: MECHANISMS OF PHOTOPROTECTION AND NONPHOTOCHEMICAL QUENCHING IN PEA LIGHT-HARVESTING COMPLEX AT 2.5 A RESOLUTION. EMBO J. V. 24 919 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2BHW - LUX C40 H72 O2 CC1=C(C(C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2BHW - LUX C40 H72 O2 CC1=C(C(C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2BHW - LUX C40 H72 O2 CC1=C(C(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LUX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LUX 1 1
Ligand no: 2; Ligand: NEX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NEX 1 1
2 XAT 0.666667 0.921053
3 PID 0.438017 0.818182
Ligand no: 3; Ligand: XAT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 XAT 1 1
2 NEX 0.666667 0.921053
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BHW; Ligand: LUX; 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: 2bhw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BHW; Ligand: XAT; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 2bhw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YMT DR9 0.04047 0.40468 4.74138
2 3OV6 MK0 0.03287 0.41223 5.60345
3 4HWT 1B2 0.03138 0.40058 9.48276
4 4Y2H SAH 0.0004653 0.52081 14.2241
5 4L9P FII 0.01001 0.4135 16.3793
Pocket No.: 3; Query (leader) PDB : 2BHW; Ligand: XAT; 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: 2bhw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BHW; Ligand: LUX; 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: 2bhw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2BHW; Ligand: NEX; 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: 2bhw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2BHW; Ligand: LUX; 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: 2bhw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2BHW; Ligand: NEX; Similar sites found: 30
This union binding pocket(no: 7) in the query (biounit: 2bhw.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3O01 DXC 0.00503 0.42404 None
2 5UGW GSH 0.007765 0.40528 None
3 2ZPA ACO 0.009683 0.43442 1.2931
4 1GHE ACO 0.003416 0.47123 2.25989
5 4P42 PEE 0.01302 0.44645 2.58621
6 4V3I ASP LEU THR ARG PRO 0.0008963 0.41745 2.58621
7 1ATL 0QI 0.006579 0.45506 2.9703
8 5JNN 6LM 0.0382 0.41858 3.15789
9 1NF8 BOG 0.003309 0.40523 3.38164
10 3ZJ0 ACO 0.02109 0.42437 3.39806
11 2Q2Y MKR 0.01689 0.44439 3.44828
12 2Q2Y ADP 0.0175 0.44439 3.44828
13 3NMV PYV 0.03371 0.40776 3.44828
14 1H9G COA MYR 0.004889 0.46503 3.87931
15 1TV5 N8E 0.0009793 0.4293 3.87931
16 1YMT DR9 0.008086 0.45997 4.74138
17 5C1M OLC 0.009501 0.41211 4.8
18 3F8D FAD 0.0235 0.46312 5.17241
19 1BZL GCG 0.02217 0.45237 5.60345
20 3OV6 MK0 0.009287 0.44773 5.60345
21 1VLH PNS 0.02846 0.41329 5.78035
22 3T03 3T0 0.02301 0.41023 6.03448
23 3UST FAD 0.01127 0.43243 6.89655
24 2I0G I0G 0.04583 0.41961 7.32759
25 3TDC 0EU 0.001409 0.46042 8.18966
26 3ER9 3AT 0.01987 0.40757 8.18966
27 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.001789 0.43185 9.91379
28 4NAT ADP 0.02367 0.45808 10
29 1OQC FAD 0.0196 0.42767 13.6
30 4Y2H SAH 0.04043 0.42988 14.2241
Pocket No.: 8; Query (leader) PDB : 2BHW; Ligand: XAT; 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: 2bhw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2BHW; Ligand: LUX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2bhw.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2BHW; Ligand: LUX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2bhw.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2BHW; Ligand: LUX; Similar sites found: 23
This union binding pocket(no: 11) in the query (biounit: 2bhw.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.004105 0.45934 None
2 1UO5 PIH 0.01215 0.43339 None
3 3ZQE DXC 0.02138 0.40479 1.2931
4 3LN9 FLC 0.009412 0.43218 2.8777
5 1NF8 BOG 0.007756 0.43059 3.38164
6 5DCH 1YO 0.002262 0.45359 3.64583
7 5GQX GLC GLC GLC 0.01317 0.41459 3.87931
8 2X2T GAL NGA 0.04924 0.40047 3.92157
9 5OCA 9QZ 0.001113 0.46472 3.96825
10 5TVI MYR 0.01707 0.42911 4.34783
11 5FPN KYD 0.01068 0.43951 4.74138
12 3TD3 GLY 0.01707 0.40785 4.87805
13 3W9F I3P 0.01423 0.42712 5.60345
14 5E70 RCD 0.02472 0.40531 5.60345
15 5FJJ MAN 0.0005471 0.47131 7.32759
16 3TDC 0EU 0.005487 0.44004 8.18966
17 4RW3 TDA 0.0002056 0.51183 9.91379
18 4RW3 PLM 0.03472 0.40249 9.91379
19 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02673 0.40143 9.91379
20 4G86 BNT 0.01864 0.41936 11.2069
21 4EHQ GBL 0.02472 0.40121 12.8378
22 4WOH 4NP 0.03733 0.4015 17.4699
23 5V4R MGT 0.008224 0.42977 29.0123
Pocket No.: 12; Query (leader) PDB : 2BHW; Ligand: NEX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2bhw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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