PDB entry 2wpb

View 2wpb on RCSB PDB site
Description: crystal structure of the e192n mutant of e. coli n-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide in space group p21 crystal form I
Class: lyase
Keywords: substrate specificity, carbohydrate metabolism, protein engineering, lyase, aldolase, schiff base
Deposited on 2009-08-03, released 2010-08-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2010-11-17, with a file datestamp of 2010-11-12.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.19176
AEROSPACI score: 0.44 (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 (2-7)
      • engineered mutation (198)
    Domains in SCOPe 2.08: d2wpba1, d2wpba2
  • Chain 'B':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • engineered mutation (198)
    Domains in SCOPe 2.08: d2wpbb_
  • Chain 'C':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • engineered mutation (198)
    Domains in SCOPe 2.08: d2wpbc_
  • Chain 'D':
    Compound: n-acetylneuraminate lyase
    Species: Escherichia coli [TaxId:562]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A6L4 (8-End)
      • engineered mutation (198)
    Domains in SCOPe 2.08: d2wpbd_
  • Heterogens: ZZI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2wpbA (A:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyq
meqirrehpdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >2wpbA (A:)
hhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqs
lsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsf
eehcdhyraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyqme
qirrehpdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaqkl
qtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqe
rg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2wpbB (B:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyq
meqirrehpdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >2wpbB (B:)
atnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslsereq
vleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeehcdh
yraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyqmeqirreh
pdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaqklqtecnk
vidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqer

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2wpbC (C:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyq
meqirrehpdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >2wpbC (C:)
atnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslsereq
vleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeehcdh
yraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyqmeqirreh
pdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaqklqtecnk
vidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqer

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >2wpbD (D:)
mehhhhhhatnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafv
qslsereqvleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypf
sfeehcdhyraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyq
meqirrehpdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaq
klqtecnkvidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlm
qerg

    Sequence, based on observed residues (ATOM records): (download) 
    >2wpbD (D:)
atnlrgvmaalltpfdqqqaldkaslrrlvqfniqqgidglyvggstgeafvqslsereq
vleivaeeakgkikliahvgcvstaesqqlaasakrygfdavsavtpfyypfsfeehcdh
yraiidsadglpmvvynipalsgvkltldqintlvtlpgvgalxqtsgdlyqmeqirreh
pdlvlyngydnifasgllagadggigstynimgwryqgivkalkegdiqtaqklqtecnk
vidlliktgvfrglktvlhymdvvsvplcrkpfgpvdekylpelkalaqqlmqer