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Ligand · MER

MER · (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

MER, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid (C17 H27 N3 O5 S, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
MER
Formula
C17 H27 N3 O5 S
Class
ligand
Structures
15
PDB entries
14

Binding sites

MER in 15 structures; the first of them:

  • 6KGS · Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis… · MER A701 · binds SER386, ALA424, SER441, ASN443, ILE499, THR578, LYS592, THR593 and 3 more
  • 7VX6 · OXA-58 crystal structure of acylated meropenem complex 2 · MER A302 · binds ALA82, SER83, KCX86, PHE114, ALA116, TRP117, SER130, VAL132 and 7 more
  • 8IY4 · Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem · MER A301 · binds CYS74, SER75, LYS78, TYR110, SER135, ASN137, GLU171, PRO172 and 7 more
  • 8RLK · Structure of the apo form of PIB-1 in an Orthorombic space group · MER A501 · binds TYR41, PHE130, SER131, LYS134, GLU187, ARG196, TYR230, THR232 and 10 more
  • 9FZE · Pseudomonas aeruginosa penicillin binding protein 3 in complex with meropenem · MER A601 · binds GLY244, SER245A, LYS248, VAL284, SER285, LYS299, SER300, ASN302 and 9 more
  • 6DMH · A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an sfc-1… · MER A305 · binds CYS69, SER70, HIS105, SER130, ASN132, ASN170, THR216, ARG220 and 4 more
  • 6I1H · Crystal structure of tp domain from chlamydia trachomatis penicillin- binding protein 3… · MER A701 · binds GLY319, SER320, ASP358, ASP359, SER360, HIS375, SER376, ASN378 and 6 more
  • 6KGS · Crystal structure of penicillin binding protein 3 (PBP3) from mycobacterium tuerculosis… · MER A701 · binds SER386, ALA424, SER441, ASN443, ILE499, THR578, LYS592, THR593 and 3 more
  • 6M5P · A class C beta-lactamase · MER A401 · binds SER64, LYS67, HIS112, LEU118, PHE119, PHE149, ASN151, TYR221 and 8 more
  • 6PT1 · Crystal structure of class D beta-lactamase oxa-48 with meropenem · MER A303 · binds ALA69, SER70, ILE102, TRP105, SER118, VAL120, LEU158, LYS208 and 5 more
  • 6SKQ · Oxa-655_MEM. structural insights into the enhanced carbapenemase efficiency of oxa-655… · MER A301 · binds ALA66, SER67, TRP102, SER115, LEU155, THR206, GLY207, PHE208 and 2 more
  • 7KHQ · Crystal structure of oxa-48 K73A in complex with meropenem · MER A301 · binds ALA69, SER70, TRP105, SER118, VAL120, LEU158, THR209, GLY210 and 3 more
  • 7KHY · Crystal structure of oxa-163 K73A in complex with meropenem · MER A301 · binds ALA69, SER70, TRP105, SER118, VAL120, LEU158, THR209, GLY210 and 3 more
  • 7RPA · X-ray crystal structure of oxa-24/40 K84D in complex with meropenem · MER A302 · binds ALA80, SER81, TYR112, MET114, TRP115, LEU127, SER128, VAL130 and 6 more
  • 7RPB · X-ray crystal structure of oxa-24/40 V130D in complex with meropenem · MER A301 · binds ALA80, SER81, TYR112, MET114, TRP115, LEU127, SER128, ASP130 and 6 more

Residues it binds most

SER 26, THR 23, TYR 18, GLY 26, LEU 16, TRP 18, ARG 20, ALA 16, LYS 13, GLU 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • BCT · Bicarbonate ion
  • CO · Cobalt (II) ion
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • PEG · Di(hydroxyethyl)ether

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