Structure of PDB 8wm6 Chain A Binding Site BS04

Receptor Information
>8wm6 Chain A (length=742) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVSITVDRDPVATSFEKWAQPGHFSRTLAKGPKTTTWIWNLHADVHDFD
SHTNSLEDISRKIFSAHFGQLSIIFLWLSGMYFHGARFSNYSAWLSNPTA
VKPSAQVVWPIVGQEVLNGDVGGGFQGVQVTSGFFQIWRSSGITSEVELY
WCALAGLIMSGLMIFAGWFHYHKAAPKLEWFQNAESMLNHHLSGLLGLGC
LSWAGHQIHVSLPVNKLLDAGVAPQEIPLPHEFLVNRDLMAQLYPSFSKG
LVPFFTLNWSEYSDFLTFKGGLNPVTGGLWLSDTAHHHLALAVLFIVAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAML
GSVSIIVAHHMYAMPPYPYIATDYPTQLSIFTHHMWIGGFCVCGGAAHAG
IFMVRDYNPAQNYNNLLDRVIRHRDAIISHLNWICIFLGFHSFGLYIHND
TMRALGRTQDMFSDTAIQLKPVFAQWVQSIHTLAPGNTTPNALATASYAF
GGDVVAVGNKVAMMPISLGTADFMVHHIHAFTIHVTVLILLKGVLFSRNS
RLIPDKANLGFRFPCDGPGRGGTCQSSAWDSVFLGLFWMYNCISVVIFHF
SWKMQSDVWGTVQSDGTVTHITGGNFAQSAITINGWLRDFLWAQASQVIQ
SYGSALSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLNV
APAIQPRALSITQGRAVGLAHYLLGGIGTTWAFFLARIISVG
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 chain8wm6 Chain A Residue 804 [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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PDB8wm6 Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H57 F59 I73 A76 H77 Q80 L81 I84 F85 W351 H352 Q354 L355 N358 L359
Binding residue
(residue number reindexed from 1)		H47 F49 I63 A66 H67 Q70 L71 I74 F75 W339 H340 Q342 L343 N346 L347
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wm6, PDBe:8wm6, PDBj:8wm6
PDBsum8wm6
PubMed38734819
UniProtA6MVZ7

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