PDB entry 3m3e

View 3m3e on RCSB PDB site
Description: Crystal Structure of Agrocybe aegerita lectin AAL mutant E66A complexed with p-Nitrophenyl Thomsen-Friedenreich disaccharide
Class: hydrolase
Keywords: galectin, AAL, mutant, Thomsen-Friedenreich disaccharide, Apoptosis, Hydrolase, Lectin, Nuclease, GAL-BETA-1, 3-GALNAC-ALPHA-O-p-Nitrophenyl
Deposited on 2010-03-09, released 2010-12-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-12-01, with a file datestamp of 2010-11-26.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.206
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Anti-tumor lectin
    Species: Agrocybe aegerita [TaxId:5400]
    Gene: AAL
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6WY08 (1-158)
      • expression tag (0)
      • engineered mutation (66)
      • see remark 999 (132)
    Domains in SCOPe 2.07: d3m3ea1, d3m3ea2
  • Chain 'B':
    Compound: Anti-tumor lectin
    Species: Agrocybe aegerita [TaxId:5400]
    Gene: AAL
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6WY08 (1-158)
      • expression tag (0)
      • engineered mutation (66)
      • see remark 999 (132)
    Domains in SCOPe 2.07: d3m3eb1, d3m3eb2
  • Chain 'C':
    Compound: Anti-tumor lectin
    Species: Agrocybe aegerita [TaxId:5400]
    Gene: AAL
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6WY08 (1-158)
      • expression tag (0)
      • engineered mutation (66)
      • see remark 999 (132)
      • expression tag (159-160)
    Domains in SCOPe 2.07: d3m3ec1, d3m3ec2, d3m3ec3
  • Chain 'D':
    Compound: Anti-tumor lectin
    Species: Agrocybe aegerita [TaxId:5400]
    Gene: AAL
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6WY08 (1-158)
      • expression tag (0)
      • engineered mutation (66)
      • see remark 999 (132)
      • expression tag (159)
    Domains in SCOPe 2.07: d3m3ed1, d3m3ed2, d3m3ed3
  • Heterogens: NPO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3m3eA (A:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytglale
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m3eA (A:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytgla
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3m3eB (B:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytglale
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m3eB (B:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytgla
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3m3eC (C:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytglale
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3m3eD (D:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytglale
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m3eD (D:)
    mqgvniynisagtsvdlaapvttgdivtffssalnlnagagnpnnttlnlfaengayllh
    iafrlqanviifnsrqpdgpwlveqrvsdvanqfagidgkamvtvfdhgdkyqvvinekt
    viqytkqisgltsslsynateetsifstvveavtytglal