Structure of PDB 8wql Chain c1 Binding Site BS01

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 502 [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)		T81 Q82 L155 A159 L162 H224 A265 M269 F276 Y284
Binding residue
(residue number reindexed from 1)		T74 Q75 L148 A152 L155 H217 A258 M262 F269 Y277
Annotation score4
External links