Structure of PDB 8wb4 Chain B Binding Site BS11

Receptor Information
>8wb4 Chain B (length=504) Species: 173977 (Chroomonas placoidea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLPWYRVHTVVLNDPGRLIAVHLMHTALVAGWAGSMALYELAVFDPSDPV
LNPMWRQGMFVMPFMARIGVTDSWGGWSVTGESVANPGFWSFEGVALAHI
GLSGLLFLAAVWHWVYWDLELFRDPRTGNPALDLPKIFGIHLLLSGVLCF
GFGAFHVTGAWGPGIWVSDAYGITGKVQPVAPAWGAEGFNPFNPSGVASH
HIAAGILGFLAGIFHIAVRPPQRLYRALRMGNIETVLSSSIAAVFWSAFI
TTGTMWYGSATTPIELFGPTRYQWDSGYFQQEIERRVENSLNEGLNLSEA
WSRIPDKLAFYDYIGNNPAKGGLFRAGPMNKGDGIAEAWLGHPIFQDKEG
KELTVRRMPAFFETFPVILVDKDGIIRADIPFRRAESKYSIEQVGVTVSF
YGGKLNGQVFKDAPTVKKYARKAQLGEVLEFDRTTLESDGVFRSSPRGWY
TFGHANFALLFFLGHLWHGSRTLFRDVFSGIGAEVTEQVEFGAFQKLGDR
STKK
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 B Residue 612 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		W5 Y6 R7 V8 H9 T10 L238 I242 L461 F462 G465 W468 H469 R472
Binding residue
(residue number reindexed from 1)		W4 Y5 R6 V7 H8 T9 L237 I241 L460 F461 G464 W467 H468 R471
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
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
UniProtA0A222AIE3

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