PDB entry 3x22

View 3x22 on RCSB PDB site
Description: Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W
Class: Oxidoreductase
Keywords: Nitroreductase, regioselectivity, prodrug activation, CB1954, Oxidoreductase
Deposited on 2014-12-06, released 2015-11-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-11-18, with a file datestamp of 2015-11-13.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: oxygen-insensitive nad(p)h nitroreductase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: nfnB, dprA, nfsB, nfsI, ntr
    Database cross-references and differences (RAF-indexed):
    • Uniprot P38489 (20-236)
      • engineered mutation (90)
      • engineered mutation (142-143)
    Domains in SCOPe 2.08: d3x22a_
  • Chain 'B':
    Compound: oxygen-insensitive nad(p)h nitroreductase
    Species: Escherichia coli K-12 [TaxId:83333]
    Gene: nfnB, dprA, nfsB, nfsI, ntr
    Database cross-references and differences (RAF-indexed):
    • Uniprot P38489 (20-236)
      • engineered mutation (90)
      • engineered mutation (142-143)
    Domains in SCOPe 2.08: d3x22b_
  • Heterogens: FMN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3x22A (A:)
mgsshhhhhhssglvprgshmdiisvalkrhstkafdaskkltpeqaeqiktllqyspss
tnsqpwhfivasteegkarvaksaagnyvfserkmldashvvvfcaktamddvwlklvvd
qedadgrfatpeakaandkgrkawadmhrkdlhddaewmakqvylnvgnfllgvaalgld
avpiegfdaaildaefglkekgytslvvvpvghhsvedfnatlpksrlpqnitltev

    Sequence, based on observed residues (ATOM records): (download) 
    >3x22A (A:)
mdiisvalkrhstkafdaskkltpeqaeqiktllqyspsstnsqpwhfivasteegkarv
aksaagnyvfserkmldashvvvfcaktamddvwlklvvdqedadgrfatpeakaandkg
rkawadmhrkdlhddaewmakqvylnvgnfllgvaalgldavpiegfdaaildaefglke
kgytslvvvpvghhsvedfnatlpksrlpqnitltev

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3x22B (B:)
mgsshhhhhhssglvprgshmdiisvalkrhstkafdaskkltpeqaeqiktllqyspss
tnsqpwhfivasteegkarvaksaagnyvfserkmldashvvvfcaktamddvwlklvvd
qedadgrfatpeakaandkgrkawadmhrkdlhddaewmakqvylnvgnfllgvaalgld
avpiegfdaaildaefglkekgytslvvvpvghhsvedfnatlpksrlpqnitltev

    Sequence, based on observed residues (ATOM records): (download) 
    >3x22B (B:)
mdiisvalkrhstkafdaskkltpeqaeqiktllqyspsstnsqpwhfivasteegkarv
aksaagnyvfserkmldashvvvfcaktamddvwlklvvdqedadgrfatpeakaandkg
rkawadmhrkdlhddaewmakqvylnvgnfllgvaalgldavpiegfdaaildaefglke
kgytslvvvpvghhsvedfnatlpksrlpqnitltev