PDB entry 2xuc

View 2xuc on RCSB PDB site
Description: natural product-guided discovery of a fungal chitinase inhibitor
Class: hydrolase
Keywords: hydrolase, aspergillosis
Deposited on 2010-10-18, released 2010-10-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-06-01, with a file datestamp of 2011-05-27.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.23345
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q873Y0 (1-309)
      • expression tag (0)
    Domains in SCOPe 2.06: d2xuca1, d2xuca2
  • Chain 'B':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q873Y0 (1-309)
      • expression tag (0)
    Domains in SCOPe 2.06: d2xucb1, d2xucb2
  • Chain 'C':
    Compound: chitinase
    Species: Aspergillus fumigatus [TaxId:5085]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q873Y0 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.06: d2xucc1, d2xucc2
  • Heterogens: XRG, PO4, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2xucA (A:)
    fsnlaiywgqgpnqlrlshfcqetsldiinigfinyfpdmspghwpgsnfgnqcdgsvyv
    tndgvvtkllsgchqimedipicqaagkkvllsiggayppdqsilsedsavafatflwga
    fgpvaegwegprpfgdvvvdgfdfdiehnggfgyatmvntfrqyfnqvperkfylsaapq
    ciipdaqlsdaifnaafdfiwiqyyntaacsaksfidtslgtfnfdawvtvlkasaskda
    klyvglpasetaanqgyyltpdeveslvstymdrypdtfggimlweatasennqidgapy
    adhmkdillh
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2xucB (B:)
    fsnlaiywgqgpnqlrlshfcqetsldiinigfinyfpdmspghwpgsnfgnqcdgsvyv
    tndgvvtkllsgchqimedipicqaagkkvllsiggayppdqsilsedsavafatflwga
    fgpvaegwegprpfgdvvvdgfdfdiehnggfgyatmvntfrqyfnqvperkfylsaapq
    ciipdaqlsdaifnaafdfiwiqyyntaacsaksfidtslgtfnfdawvtvlkasaskda
    klyvglpasetaanqgyyltpdeveslvstymdrypdtfggimlweatasennqidgapy
    adhmkdillh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2xucC (C:)
    fsnlaiywgqgpnqlrlshfcqetsldiinigfinyfpdmspghwpgsnfgnqcdgsvyv
    tndgvvtkllsgchqimedipicqaagkkvllsiggayppdqsilsedsavafatflwga
    fgpvaegwegprpfgdvvvdgfdfdiehnggfgyatmvntfrqyfnqvperkfylsaapq
    ciipdaqlsdaifnaafdfiwiqyyntaacsaksfidtslgtfnfdawvtvlkasaskda
    klyvglpasetaanqgyyltpdeveslvstymdrypdtfggimlweatasennqidgapy
    adhmkdillh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2xucC (C:)
    fsnlaiywgqgpnqlrlshfcqetsldiinigfinyfpdmspghwpgsnfgncgsvyvtn
    dgvvtksgchqimedipicqaagkkvllsiggayppdqsilsedsavafatflwgafgpp
    rpfgdvvvdgfdfdiehnggfgyatmvntfrqyfnerkfylsaapqciipdaqlsdaifn
    aafdfiwiqyyntaacsaksfidtlgtfnfdawvtvlkasaskdaklyvglpasetanqg
    yyltpdeveslvstymdrypdtfggimlweatasennqidgapyadhmkdill