PDB entry 4iww

View 4iww on RCSB PDB site
Description: Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
Class: metal binding protein
Keywords: computational design, TIM barrel, metalloprotein, bipyridylalanine, METAL BINDING PROTEIN
Deposited on 2013-01-24, released 2013-08-21
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.212
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Unnatural Amino Acid Mediated Metalloprotein
    Species: Sulfolobus solfataricus [TaxId:2287]
    Gene: trpC, SSO0895
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q06121 (0-246)
      • engineered mutation (8)
      • engineered mutation (20)
      • engineered mutation (68)
      • engineered mutation (108)
      • engineered mutation (131)
      • engineered mutation (159)
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (182)
      • engineered mutation (208)
      • engineered mutation (244)
    Domains in SCOPe 2.03: d4iwwa_
  • Chain 'B':
    Compound: Unnatural Amino Acid Mediated Metalloprotein
    Species: Sulfolobus solfataricus [TaxId:2287]
    Gene: trpC, SSO0895
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q06121 (0-246)
      • engineered mutation (8)
      • engineered mutation (20)
      • engineered mutation (68)
      • engineered mutation (108)
      • engineered mutation (131)
      • engineered mutation (159)
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (182)
      • engineered mutation (208)
      • engineered mutation (244)
    Domains in SCOPe 2.03: d4iwwb_
  • Heterogens: SO4, CO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4iwwA (A:)
prylkgwledvvqlslrrpsvrasrqrpiislnerilefnkrnitaiiaeykrkspsgld
verdpieyakfmeryavglsilteekyfngsyetlrkiassvsipilmmdfivkesqidd
aynlgadtvllxvkiltereleslleyarsygmeplieitdendldialrigarfigiss
qddetleinkenqrklismipsnvvkvadsgiserneieelrklgvnafligsslmrnpe
kikelilegslehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4iwwA (A:)
prylkgwledvvqlslrrpsvrasrqrpiislnerilefnkrnitaiiaeykrkspsgld
verdpieyakfmeryavglsilteekyfngsyetlrkiassvsipilmmdfivkesqidd
aynlgadtvllxvkiltereleslleyarsygmeplieitdendldialrigarfigiss
qddetleinkenqrklismipsnvvkvadsgiserneieelrklgvnafligsslmrnpe
kikelil

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4iwwB (B:)
prylkgwledvvqlslrrpsvrasrqrpiislnerilefnkrnitaiiaeykrkspsgld
verdpieyakfmeryavglsilteekyfngsyetlrkiassvsipilmmdfivkesqidd
aynlgadtvllxvkiltereleslleyarsygmeplieitdendldialrigarfigiss
qddetleinkenqrklismipsnvvkvadsgiserneieelrklgvnafligsslmrnpe
kikelilegslehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4iwwB (B:)
prylkgwledvvqlslrrpsvrasrqrpiislnerilefnkrnitaiiaeykrkspsgld
verdpieyakfmeryavglsilteekyfngsyetlrkiassvsipilmmdfivkesqidd
aynlgadtvllxvkiltereleslleyarsygmeplieitdendldialrigarfigiss
qddetleinkenqrklismipsnvvkvadsgiserneieelrklgvnafligsslmrnpe
kikelil