PDB entry 4u3b

View 4u3b on RCSB PDB site
Description: LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Class: hydrolase
Keywords: antibacterial, lpxc, gram negative bacteria, MMP, hydrophobe, HYDROLASE
Deposited on 2014-07-19, released 2014-10-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-12-10, with a file datestamp of 2014-12-05.
Experiment type: XRAY
Resolution: 1.34 Å
R-factor: 0.164
AEROSPACI score: 0.65 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
    Species: Aquifex aeolicus [TaxId:224324]
    Gene: lpxC, envA, aq_1772
    Database cross-references and differences (RAF-indexed):
    • Uniprot O67648
      • conflict (180)
    Domains in SCOPe 2.07: d4u3ba1, d4u3ba2
  • Heterogens: IMD, ZN, CL, 3BW, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4u3bA (A:)
    mglektvkeklsfegvgihtgeyskliihpekegtgirffkngvyiparhefvvhtnhst
    dlgfkgqriktvehilsvlhlleitnvtievigneipildgsgwefyeairknilnqnre
    idyfvveepiivedegrlikaepsdtlevtyegefknflgrqkftfvegneeeivlartf
    afdweiehikkvglgkggslkntlvlgkdkvynpeglryenepvrhkvfdligdlyllgs
    pvkgkfysfrgghslnvklvkelakkqkltr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4u3bA (A:)
    glektvkeklsfegvgihtgeyskliihpekegtgirffkngvyiparhefvvhtnhstd
    lgfkgqriktvehilsvlhlleitnvtievigneipildgsgwefyeairknilnqnrei
    dyfvveepiivedegrlikaepsdtlevtyegefknflgrqkftfvegneeeivlartfa
    fdweiehikkvglgkggslkntlvlgkdkvynpeglryenepvrhkvfdligdlyllgsp
    vkgkfysfrgghslnvklvkelakkqk