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PDBsum entry 1cfa
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Immune system/inhibitor PDB id
1cfa

 

 

 

 

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Contents
Protein chain
71 a.a. *
Ligands
CYS-LEU-GLY-DAR
* Residue conservation analysis
PDB id:
1cfa
Name: Immune system/inhibitor
Title: Solution structure of a semi-synthetic c5a receptor antagonist at ph 5.2, 303k, nmr, 20 structures
Structure: Complement 5a semi-synthetic antagonist. Chain: a. Fragment: residues 1 - 71. Engineered: yes. Mutation: yes. Synthetic n-terminal tail. Chain: b. Fragment: residues 72 - 75. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
NMR struc: 20 models
Authors: X.Zhang,W.Boyar,N.Galakatos,N.C.Gonnella
Key ref: X.Zhang et al. (1997). Solution structure of a unique C5a semi-synthetic antagonist: implications in receptor binding. Protein Sci, 6, 65-72. PubMed id: 9007977 DOI: 10.1002/pro.5560060107
Date:
21-Sep-96     Release date:   17-Sep-97    
PROCHECK
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 Headers
 References

Protein chain
P01031  (CO5_HUMAN) -  Complement C5 from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		 
Seq:
Struc: 		 
Seq:
Struc: 		1676 a.a.
71 a.a.*
Key:    Secondary structure  CATH domain
* PDB and UniProt seqs differ at 3 residue positions (black crosses)

 

 
DOI no: 10.1002/pro.5560060107 Protein Sci 6:65-72 (1997)
PubMed id: 9007977  
 
 
Solution structure of a unique C5a semi-synthetic antagonist: implications in receptor binding.
X.Zhang, W.Boyar, N.Galakatos, N.C.Gonnella.
 
  ABSTRACT  
 
The tertiary structure of a unique C5a receptor antagonist was determined by two-dimensional NMR spectroscopy. The core domain of this 8-kDa antagonist exists as an antiparallel helical bundle, similar to recombinant human (rh)-C5a. However, unlike C5a, the antagonist's C terminus was found to be conformationally restricted along a groove between helices one and four in the core domain. This conformational restriction situates C-terminal D-Arg 75 in a wedge between core residues Arg 46 and His 15. Correlation of the antagonist's tertiary structure with point mutation analysis revealed the formation of a positively charged contiguous contact surface comprised of D-Arg 75, Arg 46, Lys 49, and His 15. The significance of this surface in generating antagonist properties implies a single binding site with the C5a receptor and provides a structural template for drug design.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
18050655 L.V.Kozlov, O.O.Burdelev, S.V.Bureeva, and A.P.Kaplun (2007).
[Artificial inhibition of the complement system]
  Bioorg Khim, 33, 485-510.  
  11733378 Y.Shibuya, M.Shiokawa, H.Nishiura, T.Nishimura, N.Nishino, H.Okabe, K.Takagi, and T.Yamamoto (2001).
Identification of receptor-binding sites of monocyte chemotactic S19 ribosomal protein dimer.
  Am J Pathol, 159, 2293-2301.  
9188742 X.Zhang, W.Boyar, M.J.Toth, L.Wennogle, and N.C.Gonnella (1997).
Structural definition of the C5a C terminus by two-dimensional nuclear magnetic resonance spectroscopy.
  Proteins, 28, 261-267.
PDB code: 1kjs
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.

 

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