Structure of PDB 6l35 Chain A Binding Site BS06

Receptor Information
>6l35 Chain A (length=742) Species: 3218 (Physcomitrium patens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKIMVEKDPVKTSFEKWAKPGHFSRTLAKGPNTTTWIWNLHADAHDFDS
HTNDLEEISRKVFSAHFGQLAVIFIWLSGMYFHGARFSNYEAWLSDPTHI
KPSAQVVWPIVGQKILNGDVGGGFQGIQITSGFFQLWRASGITSELQLYT
TAIGGLIFAALMLFAGWFHYHKAAPKLAWFQNVESMLNHHLAGLLGLGSL
AWAGHQVHVSLPINRLLDAGVDPKEIPLPHEFILNRDLLAQLYPSFSKGL
TPFFTLNWSEYSDFLTFRGGLNPVTGGLWLTDTAHHHLAIAVLFLVAGHM
YRTNFGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAMLG
SLTIIVAHHMYAMPPYPYLATDYATQLSLFTHHMWIGGFLVVGAAAHAAI
FMVRDYDPTTQYNNLLDRVLRHRDAIISHLNWVCIFLGFHSFGLYIHNDT
MSALGRPQDMFSDTAIQLQPVFAQWIQNTHALAPSLTAPNATASTSLTWG
GGDLVAVGGKVALLPIPLGTADFLVHHIHAFTIHVTVLILLKGVLFARSS
RLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNAISVVIFHF
SWKMQSDVWGSISDQGVVTHITGGNFAQSSITINGWLRDFLWAQASQVIQ
SYGSSLSAYGLLFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKV
APAIQPRALSIVQGRAVGVAHYLLGGIATTWAFFLARIISVG
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 chain6l35 Chain A Residue 806 [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]
PDB6l35 Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		H54 V70 A73 H74 Q77 L78 I81 F82 F166 W346 H347 L350 N353
Binding residue
(residue number reindexed from 1)		H46 V62 A65 H66 Q69 L70 I73 F74 F158 W338 H339 L342 N345
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:6l35, PDBe:6l35, PDBj:6l35
PDBsum6l35
PubMed33589616
UniProtQ8MFA3|PSAA_PHYPA Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

[Back to BioLiP]