Structure of PDB 8osf Chain E Binding Site BS01

Receptor Information
>8osf Chain E (length=321) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVFPFTAIVGQEEMKLALLLNVIDPKIGGVMIMGDRGTGKSTTIRALADL
LPEIPVVANDPFNSDPSDPDLMSDEVRQKSIEFKKVQMVDLPLGATEDRV
CGTIFEPGLLAKANRGILYVDEVNLLDDHLVDVLLDSAASGWNTVEREGI
SIRHPARFVLVGSGNPEEGELRPQLLDRFGMHAEIHTVKEPALRVQIVEQ
RSEFDQNPPTFLEKYNPEQTALQKKIVEAQKLLPEVKLDYDLRVKISEVC
SELDVDGLRGDIVTNRAAKALTAYEGRTEVTVDDIRRVITLCLRHRLRKD
PLESIDSGYKVEKVFARIFGV
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8osf Chain E Residue 401 [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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PDB8osf Conformational variability of cyanobacterial ChlI, the AAA+ motor of magnesium chelatase involved in chlorophyll biosynthesis.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		I21 R49 G50 G52 K53 S54 I229 R233
Binding residue
(residue number reindexed from 1)		I8 R36 G37 G39 K40 S41 I197 R201
Annotation score5
Enzymatic activity
Enzyme Commision number 6.6.1.1: magnesium chelatase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016851 magnesium chelatase activity
GO:0016874 ligase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8osf, PDBe:8osf, PDBj:8osf
PDBsum8osf
PubMed37737632
UniProtP58571|CHLI_NOSS1 Magnesium-chelatase subunit ChlI (Gene Name=chlI)

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