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Ligand · HPK

HPK · (3E)-2,6-dioxo-6-phenylhex-3-enoate

HPK, (3E)-2,6-dioxo-6-phenylhex-3-enoate (C12 H9 O4 -1, 217.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
HPK
Formula
C12 H9 O4 -1
Class
ligand
Structures
10
PDB entries
5

Binding sites

HPK in 10 structures; the first of them:

  • 2PUH · Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia… · HPK A289 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ASN111, ALA112, MET113 and 12 more
  • 2WUG · Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with… · HPK A1290 · binds GLY44, GLY45, GLY46, ALA49, ASN54, ASN113, ALA114, LEU115 and 9 more
  • 3V1M · Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia… · HPK A288 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ALA112, MET113, GLY138 and 11 more
  • 3V1N · Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia… · HPK A289 · binds HIS40, GLY41, ALA46, GLY47, SER50, ASN51, LEU172, LEU176 and 6 more
  • 4LYE · Crystal structure of the S105A mutant of a C-C hydrolase, DxnB2 from Sphingomonas… · HPK A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 11 more
  • 2PUH · Crystal structure of the S112A mutant of a C-C hydrolase, bphd from burkholderia… · HPK A289 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ASN111, ALA112, MET113 and 12 more
  • 2WUG · Crystal structure of S114A mutant of hsad from mycobacterium tuberculosis in complex with… · HPK A1290 · binds GLY44, GLY45, GLY46, ALA49, ASN54, ASN113, ALA114, LEU115 and 9 more
  • 3V1M · Crystal structure of the S112A/H265Q mutant of a C-C hydrolase, bphd from burkholderia… · HPK A288 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ALA112, MET113, GLY138 and 11 more
  • 3V1N · Crystal structure of the H265Q mutant of a C-C hydrolase, bphd from burkholderia… · HPK A289 · binds HIS40, GLY41, ALA46, GLY47, SER50, ASN51, LEU172, LEU176 and 6 more
  • 4LYE · Crystal structure of the S105A mutant of a C-C hydrolase, DXNB2 from sphingomonas… · HPK A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 11 more

Residues it binds most

GLY 12, LEU 12, MET 10, ALA 12, ASN 12, TRP 12, VAL 10, PHE 8, ARG 10, HIS 10 (residue and the binding sites it lines).

Found with

  • MLI · Malonate ion
  • BEZ · Benzoic acid
  • NA · Sodium ion
  • SCN · Thiocyanate ion
  • GOL · Glycerol
  • MLA · Malonic acid

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