PDB entry 3nq2

View 3nq2 on RCSB PDB site
Description: Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G
Deposited on 2010-06-29, released 2011-02-09
The last revision was dated 2014-03-19, with a file datestamp of 2014-03-14.
Experiment type: XRAY
Resolution: 2.02 Å
R-factor: 0.208
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: deoxyribose phosphate aldolase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • PDB 3NQ2
  • Chain 'B':
    Compound: deoxyribose phosphate aldolase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • PDB 3NQ2
  • Heterogens: IMD, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.07, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >3nq2A (A:)
    matdlkasslralklmhlatandddtdekvialchqaktpvgttdaifiyprfipiarkt
    lkeqgtpeiriwtstnfphgnddidialaetraaiaygadgvavvfpyralmagneqvgf
    dlvkackeacaaanvllsviietgelkdealirkaseisikagadhivtstgkvaegatp
    esarimmevirdmgvektvgfipvggvrtaedaqkylaiadelfgadwadarhyafgass
    llasllkalghgdgksassygsle
    

    Sequence, based on observed residues (ATOM records):
    >3nq2A (A:)
    dlkasslralklmhlatandddtdekvialchqaktpvgttdaifiyprfipiarktlke
    qgtpeiriwtstnfphgnddidialaetraaiaygadgvavvfpyralmagneqvgfdlv
    kackeacaaanvllsviietgelkdealirkaseisikagadhivtstgkvaegatpesa
    rimmevirdmgvektvgfipvggvrtaedaqkylaiadelfgadwadarhyafgasslla
    sllkalg
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3nq2B (B:)
    matdlkasslralklmhlatandddtdekvialchqaktpvgttdaifiyprfipiarkt
    lkeqgtpeiriwtstnfphgnddidialaetraaiaygadgvavvfpyralmagneqvgf
    dlvkackeacaaanvllsviietgelkdealirkaseisikagadhivtstgkvaegatp
    esarimmevirdmgvektvgfipvggvrtaedaqkylaiadelfgadwadarhyafgass
    llasllkalghgdgksassygsle
    

    Sequence, based on observed residues (ATOM records):
    >3nq2B (B:)
    dlkasslralklmhlatandtdekvialchqaktpvgttdaifiyprfipiarktlkeqg
    tpeiriwtstnfphgnddidialaetraaiaygadgvavvfpyralmagneqvgfdlvka
    ckeacaaanvllsviietgelkdealirkaseisikagadhivtstgkvaegatpesari
    mmevirdmgvektvgfipvggvrtaedaqkylaiadelfgadwadarhyafgassllasl
    lkal