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Ligand · PN7

PN7 · N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide

PN7, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide (C11 H23 N2 O7 P S, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (8 PDB entries). Every binding site with…

Component
PN7
Formula
C11 H23 N2 O7 P S
Class
ligand
Structures
10
PDB entries
8

Binding sites

PN7 in 10 structures; the first of them:

  • 5WPY · Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis · PN7 A101 · binds GLY34, ASP37, SER38, LEU61, SER62, PRO63
  • 6IHC · Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) Y100A mutant… · PN7 G101 · binds HIS58, ILE64, PHE65, GLY67, PHE109, ARG110, ILE111, PRO112 and 5 more
  • 8I8D · Acyl-ACP synthetase structure bound to MC7-ACP · PN7 f101 · binds ARG96, PRO223, HIS226, TYR249, VAL269, THR271, ILE272, LEU275 and 7 more
  • 8JFH · Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and… · PN7 F101 · binds LEU175, ASP96, LYS97, LEU98, ASN149, MET150, GLY151, GLN152 and 3 more
  • 5WPY · Solution structure of kstb-pcp loaded with nicotinic acid in kosinostatin biosynthesis · PN7 A101 · binds GLY34, ASP37, SER38, LEU61, SER62, PRO63
  • 6IHC · Crystal structure of (3R)-hydroxyacyl-acyl carrier protein DEHYDRATASE(FABZ) Y100A mutant… · PN7 G101 · binds HIS58, ILE64, PHE65, GLY67, PHE109, ARG110, ILE111, PRO112 and 5 more
  • 7BVE · Cryo-EM structure of mycobacterium smegmatis arabinosyltransferase EMBC2-ACPM2 in complex… · PN7 C101 · binds HIS235, ARG244, HIS245, LYS246, ARG247, PHE248, SER251, ARG401 and 4 more
  • 7E1R · Crystal structure of DEHYDROGENASE/ISOMERASE fabx from helicobacter pylori in complex… · PN7 B101 · binds GLY125, ALA126, GLY127, LEU128, ILE147, SER149, GLU175, HIS182 and 4 more
  • 7M7F · 6-deoxyerythronolide B synthase (debs) module 1 in complex with antibody fragment 1B2… · PN7 B1801 · binds SER1449, CYS205, MET247, SER249, SER309, ALA310, PRO311, HIS340 and 7 more
  • 7M7I · 6-deoxyerythronolide B synthase (debs) module 1 in complex with antibody fragment 1B2… · PN7 B1601 · binds SER1449, CYS205, MET247, ASN248, SER249, PHE266, SER309, PRO311 and 8 more

Residues it binds most

SER 17, LEU 17, GLY 15, HIS 14, ARG 10, ILE 12, PRO 12, THR 10, PHE 6, ASP 9 (residue and the binding sites it lines).

Found with

  • CIT · Citric acid
  • 95E · Ethambutol
  • AMP · Adenosine monophosphate
  • FMN · Flavin mononucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • OP3 · 7-methoxy-7-oxidanylidene-heptanoic acid
  • SF4 · Iron/sulfur cluster
  • UHC · ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
  • CA · Calcium ion
  • PO4 · Phosphate ion

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