Structure of PDB 7z15 Chain C Binding Site BS02

Receptor Information
>7z15 Chain C (length=353) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYVAVKGGEKAIDAAHALQESRRRGDTDLPELSVAQIEQQLNLAVDRVMT
EGGIADRELAALALKQASGDNVEAIFLLRAYRTTLAKLAVSEPLDTTGMR
LERRISAVYKDIPGGQLLGPTYDYTHRLLDFTLLANGEAPTLTTADSEQQ
PSPHVFSLLARQGLAKFEEDSGAQPDDITRTPPVYPCSRSSRLQQLMRGD
EGYLLALAYSTQRGYGRNHPFAGEIRSGYIDVSIVPEELGFAVNVGELLM
TECEMVNGFIDPPDEPPHFTRGYGLVFGMSERKAMAMALVDRALQAPEYG
EHATGPAQDEEFVLAHADNVEAAGFVSHLKLPHYVDFQAELELLKRLQQE
KNH
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)		H328 H333
Binding residue
(residue number reindexed from 1)		H328 H333
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.8.37: alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0061693 alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase 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
UniProtP16687|PHNI_ECOLI Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnI (Gene Name=phnI)

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