Structure of PDB 7z15 Chain D Binding Site BS02

Receptor Information
>7z15 Chain D (length=278) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANLSGYNFAYLDEQTKRMIRRAILKAVAIPGYQVPFGGREMPMPYGWGTG
GIQLTASVIGESDVLKVIDQGADDTTNAVSIRNFFKRVTGVNTTERTDDA
TLIQTRHRIPETPLTEDQIIIFQVPIPEPLRFIEPRETETRTMHALEEYG
VMQVKLYEDIARFGHIATTYAYPVKVNGRYVMDPSPIPKFDNPKMDMMPA
LQLFGAGREKRIYAVPPFTRVESLDFDDHPFTVQQWDEPCAICGSTHSYL
DEVVLDDAGNRMFVCSDTDYCRQQSEAK
Ligand information
Ligand IDI9X
InChIInChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1
InChIKeyOXGUIUWFXGIWNM-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C1C(C2C(O1)OP(=O)(O2)O)O)OP(=O)(O)O
CACTVS 3.385O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@@H]2O[P](O)(=O)O[C@H]12
CACTVS 3.385O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)OP(=O)(O)O
FormulaC5 H10 O10 P2
Namealpha-D-ribose-1,2-cyclic-phosphate-5-phosphate;
[(3aR,5R,6R,6aR)-2,6-bis(oxidanyl)-2-oxidanylidene-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate;
5-phospho-alpha-D-ribose cyclic-1,2-phosphate
ChEMBL
DrugBank
ZINCZINC000087530020
PDB chain7z15 Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7z15 Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		G47 G49 T50 G51 R107 H108 Q124 V125 P126 G208 R209
Binding residue
(residue number reindexed from 1)		G46 G48 T49 G50 R106 H107 Q123 V124 P125 G207 R208
Annotation score5
Enzymatic activity
Enzyme Commision number 4.7.1.1: alpha-D-ribose 1-methylphosphonate 5-phosphate C-P-lyase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0098848 alpha-D-ribose 1-methylphosphonate 5-phosphate C-P-lyase activity
Biological Process
GO:0015716 organic phosphonate transport
GO:0019634 organic phosphonate metabolic process
GO:0019700 organic phosphonate catabolic process
Cellular Component
GO:0061694 alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase complex
GO:1904176 carbon phosphorus lyase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7z15, PDBe:7z15, PDBj:7z15
PDBsum7z15
PubMed36813778
UniProtP16688|PHNJ_ECOLI Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase (Gene Name=phnJ)

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