3RIR

Crystal Strucrture of Biotin Protein Ligase from S. aureus

PDB DOI: https://doi.org/10.2210/pdb3RIR/pdb

Classification: LIGASE
Organism(s): Staphylococcus aureus subsp. aureus ECT-R 2
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2011-04-14 Released: 2012-04-18
Deposition Author(s): Wilce, M.C.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.285
R-Value Work: 0.205
R-Value Observed: 0.209

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Crystal Strucrture of Biotin Protein Ligase from S. aureus

Pendini, N., Yap, M., Polyak, S., Cowieson, N., Daouda, T., Booker, G., Wallace, J., Wilce, M.C.J.

To be published.

Macromolecule Content

Total Structure Weight: 37.76 kDa
Atom Count: 2,670
Modelled Residue Count: 322
Deposited Residue Count: 323
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Biotin-[acetyl-CoA-carboxylase] ligase	A	323	Staphylococcus aureus subsp. aureus ECT-R 2	Mutation(s): 0 Gene Names: ECTR2_1310 EC: 6.3.4.15
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BT5 Query on BT5 Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	BIOTINYL-5-AMP C₂₀ H₂₈ N₇ O₉ P S UTQCSTJVMLODHM-RHCAYAJFSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.285
R-Value Work: 0.205
R-Value Observed: 0.209
Space Group: P 4₂ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 93.564	α = 90
b = 93.564	β = 90
c = 130.65	γ = 90

Software Package:

Software Name	Purpose
StructureStudio	data collection
PHASER	phasing
PHENIX	refinement

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2012-04-18

Deposition Author(s):

Wilce, M.C.J.

Revision History (Full details and data files)

Version 1.0: 2012-04-18
Type: Initial release
Version 1.1: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description

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Deposit Data

Help and Resources

3RIR

Crystal Strucrture of Biotin Protein Ligase from S. aureus

Crystal Strucrture of Biotin Protein Ligase from S. aureus

Entity ID: 1

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)