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Ligand · TVE

TVE · (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl) carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S}, 3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid

TVE, (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl) carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S}, 3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid (C22 H27 N3 O7 S, 477.5 g/mol), in the MolNFT…

Component
TVE
Formula
C22 H27 N3 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

TVE in 4 structures; the first of them:

  • 7BH5 · XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using… · TVE A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 7 more
  • 7BH7 · Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15… · TVE A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 7 more
  • 7BH5 · Xfel structure of the ertapenem-derived ctx-M-15 acylenzyme after mixing for 2 sec using… · TVE A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, ASN170 and 6 more
  • 7BH7 · Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of ctx-M-15… · TVE A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 7 more

Residues it binds most

ASN 4, SER 4, LYS 4, THR 4, ARG 4, CYS 4, GLY 4, TYR 4, GLU 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion

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