1T1N

CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Work: 0.192 

Starting Model: experimental
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This is version 1.5 of the entry. See complete history. 


Literature

Crystal structure of Trematomus newnesi haemoglobin re-opens the root effect question.

Mazzarella, L., D'Avino, R., di Prisco, G., Savino, C., Vitagliano, L., Moody, P.C.E., Zagari, A.

(1999) J Mol Biol 287: 897-906

  • DOI: https://doi.org/10.1006/jmbi.1999.2632
  • Primary Citation of Related Structures:  
    1T1N

  • PubMed Abstract: 

    As new structural data have become available, somewhat contrasting explanations of the Root effect in fish haemoglobins (Hb) have been provided. Hb 1 of the Antarctic fish Trematomus newnesi has a nearly pH-independent oxygen affinity, in spite of 95 % sequence identity with Hb 1 of Trematomus (previously named Pagothenia) bernacchii that has a strong Root effect. Here, the 2.2 A R-state structure of Trematomus newnesi Hb 1 is presented. The structure is similar to that of Root effect fish Hbs from Spot and T. bernacchii, suggesting that the differences in the pH dependence cannot be related to the modulation of the R-state. In comparison to T. bernacchii Hb 1, the role of the three mutations Thr41 (C6)alpha-->Ile, Ala97 (G3)alpha-->Ser and His41 (C7)beta-->Tyr at the alpha1beta2-interface is discussed.

    • Organizational Affiliation: 

    Centro di Studio di Biocristallografia, CNR, Napoli, Italy. [email protected]


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
PROTEIN (HEMOGLOBIN)143Trematomus newnesiMutation(s): 0 
UniProt
Find proteins for P45718 (Trematomus newnesi)
Explore P45718 
Go to UniProtKB:  P45718
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP45718
Sequence Annotations
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  • Reference Sequence
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(by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
PROTEIN (HEMOGLOBIN)146Trematomus newnesiMutation(s): 0 
UniProt
Find proteins for P45720 (Trematomus newnesi)
Explore P45720 
Go to UniProtKB:  P45720
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP45720
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Work: 0.192 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 91.17α = 90
b = 88.06β = 97.65
c = 55.25γ = 90
Software Package:
Software NamePurpose
X-PLORmodel building
X-PLORrefinement
MOSFLMdata reduction
X-PLORphasing

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1999-04-29
    Type: Initial release
  • Version 1.1: 2007-10-16
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2019-12-11
    Changes: Derived calculations
  • Version 1.4: 2023-08-23
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 1.5: 2024-10-30
    Changes: Structure summary