Structure of PDB 8wql Chain c1 Binding Site BS08

Receptor Information
>8wql Chain c1 (length=453) Species: 153964 (Arthrospira sp. FACHB-439) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYLGGRDQESTGFAWWSGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLF
EVSHFVPEKPMYEQGLILLPHLATQGWGVGAGGEVINTFPYFVVGVLHLI
SSAVLGLGGIYHAVRGPEVLEEYSSFFGYDWKDKNQMTNIIGYHLILLGC
GALLLVFKAMFLGGVYDTWAPGGGDVRIINNPTLNPLVIFGYLLKAPFGG
EGWMIGVDNMEDIIGGHIWIGLICIAGGVWHILTKPFGWARRAFIWSGEA
YLSYSLGALSLMAFIASAFVWFNNTAYPSEFYGPTNAEASQAQSFVFLVR
DQKLGANIGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFKGPWLEPLR
GPNGLDLNKLKNDIQPWQVRRAAEYMTHAPNGSINSVGGIITEAQGFNYV
NPRAWLAASHFILAFFFLIGHLWHAGRARAAVAGFEKGIDRETEPVLAMP
DLD
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 chain8wql Chain c1 Residue 509 [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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PDB8wql Structure of in situ PBS-PSII supercomplex at 3.5 Angstroms resolution.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S24 G25 N26 F424 G427 W430 H431
Binding residue
(residue number reindexed from 1)		S17 G18 N19 F417 G420 W423 H424
Annotation score4
External links