1G2B

ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT N47-D48

PDB DOI: https://doi.org/10.2210/pdb1G2B/pdb

Classification: METAL BINDING PROTEIN
Organism(s): Gallus gallus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2000-10-18 Released: 2000-11-01
Deposition Author(s): Berisio, R., Viguera, A.R., Serrano, L., Wilmanns, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.12 Å
R-Value Free: 0.202
R-Value Observed: 0.148

wwPDB Validation 3D Report Full Report

This is version 1.5 of the entry. See complete history.

Literature

Atomic resolution structure of a mutant of the spectrin SH3 domain.

Berisio, R., Viguera, A., Serrano, L., Wilmanns, M.

(2001) Acta Crystallogr D Biol Crystallogr 57: 337-340

PubMed: 11173498 Search on PubMed
DOI: https://doi.org/10.1107/s090744490001581x
Primary Citation of Related Structures:
1G2B

PubMed Abstract:
The crystal structure of an alpha-spectrin Src-homology 3 (SH3) domain mutant has been refined at 1.12 A resolution. This X-ray structure is at the highest resolution achieved so far for an SH3 domain. The structure allows the identification of a complete set of specific interactions and is useful for the elucidation of relations between structure and pH-dependent thermodynamic stability in a series of SH3 domain mutants.

Organizational Affiliation

Centro di Studio di Biocristallografia, CNR and Dipartimento di Chimica, Università di Napoli Federico II, Via Mezzocannone 4, I-80134 Napoli, Italy. rberisio@chemistry.unina.it

Macromolecule Content

Total Structure Weight: 7.42 kDa
Atom Count: 699
Modelled Residue Count: 62
Deposited Residue Count: 62
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
SPECTRIN ALPHA CHAIN	A	62	Gallus gallus	Mutation(s): 0
UniProt
Find proteins for P07751 (Gallus gallus) Explore P07751 Go to UniProtKB: P07751
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P07751
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] SDF format, chain D [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A]	B [auth A], C [auth A], D [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.12 Å
R-Value Free: 0.202
R-Value Observed: 0.148
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 31.1	α = 90
b = 42.97	β = 90
c = 53.05	γ = 90

Software Package:

Software Name	Purpose
AMoRE	phasing
SHELXL-97	refinement
XDS	data reduction
XDS	data scaling

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2000-11-01

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2000-11-01
Type: Initial release
Version 1.1: 2008-04-27
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2017-08-09
Changes: Advisory, Refinement description, Source and taxonomy
Version 1.4: 2017-10-04
Changes: Refinement description
Version 1.5: 2024-02-07
Changes: Advisory, Data collection, Database references, Derived calculations