Structure of PDB 4lwy Chain M Binding Site BS08
Receptor Information
>4lwy Chain M (length=302) Species:
1063
(Cereibacter sphaeroides) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
AEYQNIFTQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPI
YLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPE
YGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAF
LSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNHFYNP
FLGLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAAL
FWRWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQN
HG
Ligand information
Ligand ID
SPN
InChI
InChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1
InChIKey
GWQAMGYOEYXWJF-YCDPMLDASA-N
SMILES
Software
SMILES
CACTVS 3.341
COC(C)(C)C(=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCCC\C(C)=C\CC[C@H](C)CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0
CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04
O=C(C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCCCC(=C/CCC(C)CC\C=C(/C)CC\C=C(/C)C)/C)C(OC)(C)C
CACTVS 3.341
COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[CH](C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0
CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C
Formula
C41 H70 O2
Name
SPEROIDENONE
ChEMBL
DrugBank
ZINC
ZINC000064437266
PDB chain
4lwy Chain M Residue 407 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
4lwy
Molecular Dynamic Studies of Reaction Centers Mutants from Rhodobacter sphaeroides and his mutant form L(M196)H+H(M202)L
Resolution
2.903 Å
Binding residue
(original residue number in PDB)
F67 F68 I70 G71 W75 W115 S119 F120 M122 F123 W157 F162 W171 Y177 I179 H182
Binding residue
(residue number reindexed from 1)
F67 F68 I70 G71 W75 W115 S119 F120 M122 F123 W157 F162 W171 Y177 I179 H182
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0042314
bacteriochlorophyll binding
GO:0045156
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872
metal ion binding
Biological Process
GO:0009772
photosynthetic electron transport in photosystem II
GO:0015979
photosynthesis
GO:0019684
photosynthesis, light reaction
Cellular Component
GO:0016020
membrane
GO:0030077
plasma membrane light-harvesting complex
GO:0042717
plasma membrane-derived chromatophore membrane
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:4lwy
,
PDBe:4lwy
,
PDBj:4lwy
PDBsum
4lwy
PubMed
UniProt
P0C0Y9
|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)
[
Back to BioLiP
]