PMID- 10089307
OWN - NLM
STAT- MEDLINE
DCOM- 19990517
LR  - 20190516
IS  - 0907-4449 (Print)
IS  - 0907-4449 (Linking)
VI  - 55
IP  - Pt 4
DP  - 1999 Apr
TI  - The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards
      modulation of its selectivity and trimerization.
PG  - 772-8
AB  - The 1.4 A resolution structure of recombinant mouse tumour-necrosis factor alpha 
      (mTNF) at 100 K has been determined. The crystals are triclinic, space group P1, 
      with unit-cell parameters a = 48.06, b = 48.18, c = 51.01 A, alpha = 114.8, beta 
      = 103.6, gamma = 91.1 degrees. The structure was refined to a final
      crystallographic R value of 19.7% (Rfree = 23.3%), including 3477 protein atoms, 
      one 2-propanol molecule, one Tris molecule and 240 water molecules. Throughout
      the crystal lattice, the trimers are differently packed compared with human TNF, 
      which was crystallized in the tetragonal space group P41212 and refined to 2.6 A 
      resolution. The structures of mTNF and human TNF are very similar, diverging
      mainly in regions that are either flexible and/or involved in crystal packing.
      Some loops in mTNF which contain residues important for receptor binding are
      better resolved than in human TNF, such as the surface-exposed loops 30-34 and
      144-147, which are also important for receptor specificity. Compared with human
      TNFs, the channel formed by the three monomers in mTNF is narrower. One
      2-propanol molecule trapped in the trimeric channel could be a lead compound for 
      the design of TNF inhibitors.
FAU - Baeyens, K J
AU  - Baeyens KJ
AD  - Laboratorium voor Analytische Chemie en Medicinale Fysicochemie, E. Van
      Evenstraat 4, B-3000 Leuven, Belgium.
FAU - De Bondt, H L
AU  - De Bondt HL
FAU - Raeymaekers, A
AU  - Raeymaekers A
FAU - Fiers, W
AU  - Fiers W
FAU - De Ranter, C J
AU  - De Ranter CJ
LA  - eng
SI  - PDB/2TNF
PT  - Comparative Study
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PL  - United States
TA  - Acta Crystallogr D Biol Crystallogr
JT  - Acta crystallographica. Section D, Biological crystallography
JID - 9305878
RN  - 0 (Antigens, CD)
RN  - 0 (Receptors, Tumor Necrosis Factor)
RN  - 0 (Receptors, Tumor Necrosis Factor, Type I)
RN  - 0 (Tumor Necrosis Factor-alpha)
SB  - IM
MH  - Amino Acid Sequence
MH  - Animals
MH  - Antigens, CD/metabolism
MH  - Crystallography, X-Ray
MH  - Humans
MH  - Mice
MH  - Molecular Sequence Data
MH  - Protein Conformation
MH  - Receptors, Tumor Necrosis Factor/metabolism
MH  - Receptors, Tumor Necrosis Factor, Type I
MH  - Sequence Homology, Amino Acid
MH  - Structure-Activity Relationship
MH  - Substrate Specificity
MH  - Tumor Necrosis Factor-alpha/*chemistry
EDAT- 1999/03/25 03:01
MHDA- 2000/06/23 11:00
CRDT- 1999/03/25 03:01
PHST- 1999/03/25 03:01 [pubmed]
PHST- 2000/06/23 11:00 [medline]
PHST- 1999/03/25 03:01 [entrez]
AID - LI0310 [pii]
AID - 10.1107/s0907444998018435 [doi]
PST - ppublish
SO  - Acta Crystallogr D Biol Crystallogr. 1999 Apr;55(Pt 4):772-8. doi:
      10.1107/s0907444998018435.