PDB entry 3o94

View 3o94 on RCSB PDB site
Description: High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes
Class: hydrolase
Keywords: Nicotinamidase, HYDROLASE
Deposited on 2010-08-03, released 2011-01-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-01-12, with a file datestamp of 2011-01-07.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.189
AEROSPACI score: 0.59 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nicotinamidase
    Species: STREPTOCOCCUS PNEUMONIAE [TaxId:170187]
    Gene: SP_1583
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q97PM2 (20-End)
      • engineered (155)
    Domains in SCOPe 2.08: d3o94a_
  • Chain 'B':
    Compound: Nicotinamidase
    Species: STREPTOCOCCUS PNEUMONIAE [TaxId:170187]
    Gene: SP_1583
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q97PM2 (20-End)
      • engineered (155)
    Domains in SCOPe 2.08: d3o94b_
  • Chain 'C':
    Compound: Nicotinamidase
    Species: STREPTOCOCCUS PNEUMONIAE [TaxId:170187]
    Gene: SP_1583
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q97PM2 (20-End)
      • engineered (155)
    Domains in SCOPe 2.08: d3o94c_
  • Chain 'D':
    Compound: Nicotinamidase
    Species: STREPTOCOCCUS PNEUMONIAE [TaxId:170187]
    Gene: SP_1583
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q97PM2 (20-End)
      • engineered (155)
    Domains in SCOPe 2.08: d3o94d_
  • Heterogens: NCA, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3o94A (A:)
mgsshhhhhhssglvprgshmtkalisidytedfvadsgkltagapaqaisdaiskvtrl
afergdyifftidaheendcfhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfw
mdkrhysafsgtdldirlrerrvstviltgvltdisvlhtaidaynlgydieivkpavas
iwpenhqfalghfkntlgaklvdenlnelfe

    Sequence, based on observed residues (ATOM records): (download) 
    >3o94A (A:)
mtkalisidytedfvadsgkltagapaqaisdaiskvtrlafergdyifftidaheendc
fhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfwmdkrhysafsgtdldirlre
rrvstviltgvltdisvlhtaidaynlgydieivkpavasiwpenhqfalghfkntlgak
lvdenlnel

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3o94B (B:)
mgsshhhhhhssglvprgshmtkalisidytedfvadsgkltagapaqaisdaiskvtrl
afergdyifftidaheendcfhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfw
mdkrhysafsgtdldirlrerrvstviltgvltdisvlhtaidaynlgydieivkpavas
iwpenhqfalghfkntlgaklvdenlnelfe

    Sequence, based on observed residues (ATOM records): (download) 
    >3o94B (B:)
mtkalisidytedfvadsgkltagapaqaisdaiskvtrlafergdyifftidaheendc
fhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfwmdkrhysafsgtdldirlre
rrvstviltgvltdisvlhtaidaynlgydieivkpavasiwpenhqfalghfkntlgak
lvdenlnelf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3o94C (C:)
mgsshhhhhhssglvprgshmtkalisidytedfvadsgkltagapaqaisdaiskvtrl
afergdyifftidaheendcfhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfw
mdkrhysafsgtdldirlrerrvstviltgvltdisvlhtaidaynlgydieivkpavas
iwpenhqfalghfkntlgaklvdenlnelfe

    Sequence, based on observed residues (ATOM records): (download) 
    >3o94C (C:)
mtkalisidytedfvadsgkltagapaqaisdaiskvtrlafergdyifftidaheendc
fhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfwmdkrhysafsgtdldirlre
rrvstviltgvltdisvlhtaidaynlgydieivkpavasiwpenhqfalghfkntlgak
lvdenlnelf

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3o94D (D:)
mgsshhhhhhssglvprgshmtkalisidytedfvadsgkltagapaqaisdaiskvtrl
afergdyifftidaheendcfhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfw
mdkrhysafsgtdldirlrerrvstviltgvltdisvlhtaidaynlgydieivkpavas
iwpenhqfalghfkntlgaklvdenlnelfe

    Sequence, based on observed residues (ATOM records): (download) 
    >3o94D (D:)
mtkalisidytedfvadsgkltagapaqaisdaiskvtrlafergdyifftidaheendc
fhpesklfpphnligtsgrnlygdlgifyqehgsdsrvfwmdkrhysafsgtdldirlre
rrvstviltgvltdisvlhtaidaynlgydieivkpavasiwpenhqfalghfkntlgak
lvdenlnelf