Structure of PDB 7piw Chain B Binding Site BS14

Receptor Information
>7piw Chain B (length=484) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLPWYRVHTVVINDPGRLISVHLMHTALVAGWAGAMTLFEIAVFDPSDPV
LNPMWRQGMFVLPFLTRLGVTQSWGGWTISGETSSNPGIWSYEGAAASHI
VLSGLLFLASVWHWVYWDLELFRDPRTGKTALDLPKIFGIHLFLAGLLCF
GFGAFHVTGVFGPGIWVSDPYGLTGSVQPVAPSWGAEGFDPYNPGGVPAH
HIAAGILGVLAGLFHLCVRPSIRLYFGLSMGSIESVLSSSIAAVFWAAFV
VAGTMWYGSAATPIELFGPTRYQWDQGFFQQEIQKRVAQSTSEGLSVSEA
WAKIPEKLAFYDYIGNNPAKGGLFRTGAMNSGDGIAVGWLGHASFKDQEG
RELFVRRMPTFFETFPVVLIDKDGVVRADVPFRKAESKYSIEQVGVSVTF
YGGELNGLTFTDPSTVKKYARKAQLGEIFEFDRSTLQSDGVFRSSPRGWF
TFGHLSFALLFFFGHIWHGSRTIFRDVFAGIDED
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 chain7piw Chain B Residue 614 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7piw Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		H9 H26 V30 W33 F462
Binding residue
(residue number reindexed from 1)		H8 H25 V29 W32 F461
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
Biological Process
GO:0009767 photosynthetic electron transport chain
GO:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0009507 chloroplast
GO:0009521 photosystem
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7piw, PDBe:7piw, PDBj:7piw
PDBsum7piw
PubMed36799903
UniProtD0FY05

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