Structure of PDB 8wql Chain B1 Binding Site BS07

Receptor Information
>8wql Chain B1 (length=502) Species: 153964 (Arthrospira sp. FACHB-439) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLPWYRVHTVVLNDPGRLISVHLMHTALVAGWAGSMALYELAVFDPSDPV
LNPMWRQGMFVMPFMARLGVTQSWGGWSLTGEVADNPGIWSFEGVAATHI
ILSGLLFLAAVWHWVYWDLELFTDPRTGEPALDLPKMFGIHLFLSGLLCF
GFGAFHLTGLFGPGMWVSDPYGLTGSIQPVAPSWGPEGFNPFNAGGIAAH
HIAAGIVGIIAGLFHLSVRPPQRLYKALRMGNIETVLSSSIAAVFFAAFV
VAGTMWYGSAATPIELFGPTRYQWDQGYFQQEIQRRVQSSIAQGDSPSEA
WSKIPEKLAFYDYVGNSPAKGGLFRVGPMNKGDGIAQGWLGHPVFTDAEG
RELTVRRLPNFFETFPVILTDADGVIRADIPFRRAESRYSFEQTGVTVSL
YGGELNGKTFTDPASVKKYARFAQQGEPFAFDRETLGSDGVFRTSTRGWF
TFGHACFALLFFFGHIWHGSRTIFRDVFAGVEADLEEQVEWGNFQKVGDQ
TT
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 B1 Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8wql Structure of in situ PBS-PSII supercomplex at 3.5 Angstroms resolution.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		W33 M37 Y40 G59 F61 V327 G328 W450
Binding residue
(residue number reindexed from 1)		W32 M36 Y39 G58 F60 V326 G327 W449
Annotation score4
External links