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Ligand · N32

N32 · 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

N32, 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid (C24 H27 N O6, 425.5 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records…

Component
N32
Formula
C24 H27 N O6
Class
ligand
Structures
7
PDB entries
4

Binding sites

N32 in 7 structures; the first of them:

  • 3HO2 · Structure of E.coli FabF(C163A) in complex with Platencin · N32 A413 · binds ALA163, ALA205, ARG206, ALA207, PHE229, HIS268, THR270, SER271 and 11 more
  • 4F32 · Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from Burkholderia… · N32 A501 · binds CSU172, ALA214, ARG215, ALA216, PHE239, HIS278, THR280, ALA281 and 11 more
  • 4JV3 · Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with… · N32 A500 · binds CSU161, MET202, GLY203, ALA204, PHE227, VAL268, ALA269, PRO270 and 10 more
  • 8CN7 · Pa.FabF-C164Q in complex with platencin · N32 A512 · binds GLN164, ALA206, ARG207, ALA208, PHE230, HIS269, THR271, ALA272 and 11 more
  • 3HO2 · Structure of E.COLI FABF(C163A) in complex with platencin · N32 A413 · binds ALA163, ALA205, ARG206, ALA207, PHE229, HIS268, THR270, SER271 and 11 more
  • 4F32 · Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from burkholderia… · N32 A501 · binds CSU172, ALA214, ARG215, ALA216, PHE239, HIS278, THR280, ALA281 and 11 more
  • 4JV3 · Crystal structure of beta-ketoacyl synthase from brucella melitensis in complex with… · N32 A500 · binds CSU161, MET202, GLY203, ALA204, PHE227, VAL268, ALA269, PRO270 and 10 more

Residues it binds most

ALA 10, PHE 10, HIS 10, THR 10, GLY 10, PRO 10, ARG 8, CSU 6, VAL 6, GLN 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide

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