1NNQ

rubrerythrin from Pyrococcus furiosus Pfu-1210814

PDB DOI: https://doi.org/10.2210/pdb1NNQ/pdb

Classification: Structural Genomics, Unknown Function
Organism(s): Pyrococcus furiosus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2003-01-14 Released: 2004-03-02
Deposition Author(s): Liu, Z.-J., Tempel, W., Schubot, F.D., Shah, A., Arendall III, W.B., Rose, J.P., Richardson, D.C., Richardson, J.S., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.253
R-Value Work: 0.211
R-Value Observed: 0.213

wwPDB Validation 3D Report Full Report

This is version 1.4 of the entry. See complete history.

Literature

Structural genomics of Pyrococcus furiosus: X-ray crystallography reveals 3D domain swapping in rubrerythrin

Tempel, W., Liu, Z.-J., Schubot, F.D., Shah, A., Weinberg, M.V., Jenney Jr., F.E., Arendall III, W.B., Adams, M.W., Richardson, J.S., Richardson, D.C., Rose, J.P., Wang, B.-C.

(2004) Proteins 57: 878-882

PubMed: 15468318 Search on PubMed
DOI: https://doi.org/10.1002/prot.20280
Primary Citation of Related Structures:
1NNQ

Organizational Affiliation

Southeast Collaboratory for Structural Genomics, Department of Biochemistry and Molecular Biology, University of Georgia, Athens, Georgia 30602, USA.

Macromolecule Content

Total Structure Weight: 39.45 kDa
Atom Count: 2,632
Modelled Residue Count: 340
Deposited Residue Count: 342
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Rubrerythrin	A, B	171	Pyrococcus furiosus	Mutation(s): 0
UniProt
Find proteins for Q9UWP7 (Pyrococcus furiosus) Explore Q9UWP7 Go to UniProtKB: Q9UWP7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9UWP7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain F [auth B] SDF format, chain G [auth B] SDF format, chain H [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain F [auth B] MOL2 format, chain G [auth B] MOL2 format, chain H [auth B]	C [auth A] D [auth A] E [auth A] F [auth B] G [auth B] C [auth A], D [auth A], E [auth A], F [auth B], G [auth B], H [auth B]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth B] Focus chain G [auth B] Focus chain H [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth B] Focus chain G [auth B] Focus chain H [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.253
R-Value Work: 0.211
R-Value Observed: 0.213
Space Group: P 4₂ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 105.918	α = 90
b = 105.918	β = 90
c = 81.001	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
MAR345	data collection
SCALEPACK	data scaling
SOLVE	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2004-03-02

Deposition Author(s):

Southeast Collaboratory for Structural Genomics (SECSG)

Revision History (Full details and data files)

Version 1.0: 2004-03-02
Type: Initial release
Version 1.1: 2008-04-29
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Advisory, Refinement description, Version format compliance
Version 1.3: 2017-10-11
Changes: Refinement description
Version 1.4: 2024-02-14
Changes: Data collection, Database references, Derived calculations

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Help and Resources

1NNQ

rubrerythrin from Pyrococcus furiosus Pfu-1210814

Structural genomics of Pyrococcus furiosus: X-ray crystallography reveals 3D domain swapping in rubrerythrin

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)