Structure of PDB 7f4v Chain bB Binding Site BS35

Receptor Information
>7f4v Chain bB (length=725) Species: 251221 (Gloeobacter violaceus PCC 7421) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRFPKFSQDLAQDPTTRRIWYGIATAHDFESHDGMTEESLYQKLFATHFG
HLAIIFLWSSGNLFHIAWQGNFEQWVSNPTGVVPIAHAIWDPHFGKGAVE
AFTPEGGAGPVNAAYSGLYYLYYTLGMRFNSDLYQGSIFLMVLATVFLIA
GWLHLQPRFRPSLAWFKNAESRLNHHLSALFGVSSLAFAGHMIHVAIPAA
RGQRVDWSNFLNTLPHPAGLAPFFTGNWGVYADPQAGPPILTFIGGLNPA
TGTLWLTDIAHHHLAIAVIFIIAGHMYRTNFGIGHSIKEILDAHKGPLTG
EGHRGLYDTINNSLHFQLGLALASLGVVTSLVAQHTYALPAYFYMPQDHT
TMAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDPKANENNVLARMLEHKE
ALISHLSWVSLFLGFHTLGLYVHNDVMLAFGRPEDQLLIEPVFAQFVQVQ
SGKIIEGIPALFGGPGVTAPGEFLTGWLGSVNANNSPIFLPIGPGDFLVH
HAIALGLHTTTLILVKGALDARGSKLMPDKKDFGFAFPCDGPGRGGTCDI
SAWDAFYLAVFWMLNTIGWVTFYWHWKWISIWGDNVAQFNASSTYLMGWL
RDYLWANSAPLIGGYSPSGGTNALSVWAWMFLFGHLVWATGFMFLIAWRG
YWQELIETLVWAHERTPLANLVRWKDKPVAMSIVQGRLVGLAHFTIGYIL
TYAAFLIASTAALYPNGPAAFTPAI
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 chain7f4v Chain bB Residue 928 [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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PDB7f4v Structural basis for the absence of low-energy chlorophylls responsible for photoprotection from a primitive cyanobacterial PSI
Resolution2.04 Å
Binding residue
(original residue number in PDB)		A26 H29 D30 L320 L324 F367 G371 H375 I378 R382 F537 W555 F558
Binding residue
(residue number reindexed from 1)		A24 H27 D28 L318 L322 F365 G369 H373 I376 R380 F535 W553 F556
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
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:0005886 plasma membrane
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7f4v, PDBe:7f4v, PDBj:7f4v
PDBsum7f4v
PubMed
UniProtQ7NFT5|PSAB_GLOVI Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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