PDB entry 4bwl

View 4bwl on RCSB PDB site
Description: Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid
Class: lyase
Keywords: lyase, directed evolution, substrate specificity, protein engineering
Deposited on 2013-07-03, released 2014-02-19
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-04-30, with a file datestamp of 2014-04-25.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.18247
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-303)
      • expression tag (5-7)
      • engineered mutation (143)
    Domains in SCOPe 2.08: d4bwla1, d4bwla2
  • Chain 'B':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • engineered mutation (143)
    Domains in SCOPe 2.08: d4bwlb_
  • Chain 'C':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • expression tag (7)
      • engineered mutation (143)
    Domains in SCOPe 2.08: d4bwlc1, d4bwlc2
  • Chain 'D':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • expression tag (4-7)
      • engineered mutation (143)
    Domains in SCOPe 2.08: d4bwld1, d4bwld2
  • Heterogens: SI3, 1PE, MN9, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4bwlA (A:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyq
meqirrehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >4bwlA (A:)
hhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslse
reqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeeh
cdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyqmeqir
rehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaqklqte
cnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqerg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4bwlB (B:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyq
meqirrehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >4bwlB (B:)
atnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslsereq
vleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeehcdh
yraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyqmeqirreh
pdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaqklqtecnk
vidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqer

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4bwlC (C:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalxqtsgdlyq
meqirrehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >4bwlC (C:)
hatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslsere
qvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeehcd
hyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalxqtsgdlyqmeqirre
hpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaqklqtecn
kvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqer

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4bwlD (D:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyq
meqirrehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >4bwlD (D:)
hhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqsls
ereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfee
hcdhyraiidsadglpmvvanipalsgvkltldqintlvtlpgvgalkqtsgdlyqmeqi
rrehpdlvlyngydeifasgllagadggigstynimgwryqgivkalkegdiqtaqklqt
ecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqe