Structure of PDB 8wb4 Chain c Binding Site BS05

Receptor Information
>8wb4 Chain c (length=451) Species: 173977 (Chroomonas placoidea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAGRDIESTGFAWWSGNSRLINVSGKLLGAHVAHAGLMVFWCGAMTLFEV
AHYIPEKPLYEQGLILLPHLAVLGWGVGPGGEIIDIYPYFVVGVLHLISS
AVLGFGGVYHSLIGPDTLEESFPAFGYDWRDKNKITTILGIHLIVLGIGA
FLLVIKAMYVGGIYDTWAPGGGDVRIIDSPTLNPGVIFGYVLKSPWGGDG
WIVSVNNMEDLVGGHIWIGIICIVGGFWHIFTKPFAWARRAYVWSGEAYL
SYSLVAVSLMGFIASQYSWYNNTAYPSEFYGPTGPEASQSQAFTFLVRDQ
RLGANVSSAQGPTGLGKYLMRSPSGEIILGGETQRFWDLRAPWIEPLRGP
NGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNYVSP
RSWLTCAHFFLGFAFYIGHLWHAGRARAAAAGFEKGINRENEPTLSLRPI
D
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain8wb4 Chain c Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wb4 Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		Y252 Y262 V265 Y426 H429 L430 A433 R437
Binding residue
(residue number reindexed from 1)		Y242 Y252 V255 Y416 H419 L420 A423 R427
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0005737 cytoplasm
GO:0009523 photosystem II
GO:0009536 plastid
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wb4, PDBe:8wb4, PDBj:8wb4
PDBsum8wb4
PubMed38806516
UniProtA0A222AI36

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