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Structure of PDB 9evx Chain A Binding Site BS06

Receptor Information >9evx Chain A (length=334) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDI DGIREPVSGSLLYGNNIITGAVVPSSNAIGLHFYPIWEAASLDEWLYNGG PYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLI YPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGAL FCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVAAHGYFGRLIF QYASFNNSRSLHFFLAAWPVVGVWFTALGISTMAFNLNGFNFNHSVIDAK GNVINTWADIINRANLGMEVMHERNAHNFPLDLA

Ligand information Ligand ID PHO InChI InChI=1S/C55H74N4O5/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/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 InChIKey CQIKWXUXPNUNDV-RCBXBCQGSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c([nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C CACTVS 3.370 CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C ACDLabs 12.01 O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C OpenEye OEToolkits 1.7.6 CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C CACTVS 3.370 CCc1c(C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C Formula C55 H74 N4 O5 Name PHEOPHYTIN A ChEMBL CHEMBL3349047 DrugBank ZINC PDB chain 9evx Chain A Residue 418 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 9evx Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II Resolution 1.71 Å Binding residue (original residue number in PDB) L41 T45 F48 Y126 A146 Y147 P150 Binding residue (residue number reindexed from 1) L31 T35 F38 Y116 A136 Y137 P140 Annotation score 1

Enzymatic activity Enzyme Commision number 1.10.3.9: photosystem II.

Gene Ontology Molecular Function GO:0005506 iron ion binding GO:0009055 electron transfer activity GO:0010242 oxygen evolving activity GO:0016168 chlorophyll binding GO:0016491 oxidoreductase activity GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor GO:0046872 metal ion binding

	Biological Process
GO:0009635	response to herbicide
GO:0015979	photosynthesis

	Cellular Component
GO:0009523	photosystem II
GO:0009579	thylakoid
GO:0016020	membrane
GO:0031676	plasma membrane-derived thylakoid membrane
GO:0042651	thylakoid membrane

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