3FWR | pdb_00003fwr

Crystal Structure of the CBS domains from the Bacillus subtilis CcpN repressor complexed with ADP

PDB DOI: https://doi.org/10.2210/pdb3FWR/pdb

Classification: TRANSCRIPTION
Organism(s): Bacillus subtilis
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2009-01-19 Released: 2010-01-26
Deposition Author(s): Chaix, D., Arold, S., Hoh, F., Declerck, N.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.45 Å
R-Value Free:
0.281 (Depositor), 0.290 (DCC)
R-Value Work:
0.200 (Depositor), 0.210 (DCC)
R-Value Observed:
0.202 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

Ligand recognition by the energy sensor domain of the CcpN repressor

Chaix, D., de Guillen, K., Coq, D.L., Hoh, F., Roumestand, C., Aymerich, S., Arold, S.T., Declerck, N.

To be published.

Macromolecule Content

Total Structure Weight: 36.89 kDa
Atom Count: 2,396
Modelled Residue Count: 291
Deposited Residue Count: 318
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
YqzB protein	A, B	159	Bacillus subtilis	Mutation(s): 0 Gene Names: yqzB
UniProt
Find proteins for O34994 (Bacillus subtilis (strain 168)) Explore O34994 Go to UniProtKB: O34994
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O34994
Sequence Annotations Expand
Reference Sequence LOADING

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ADP Query on ADP Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth B] mmCIF format, chain C [auth A] mmCIF format, chain D [auth B]	C [auth A], D [auth B]	ADENOSINE-5'-DIPHOSPHATE C₁₀ H₁₅ N₅ O₁₀ P₂ XTWYTFMLZFPYCI-KQYNXXCUSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.45 Å
R-Value Free: 0.281 (Depositor), 0.290 (DCC)
R-Value Work: 0.200 (Depositor), 0.210 (DCC)
R-Value Observed: 0.202 (Depositor)

Space Group: C 2 2 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 54.273	α = 90
b = 103.047	β = 90
c = 98.342	γ = 90

Software Package:

Software Name	Purpose
SOLVE	phasing
REFMAC	refinement
MOSFLM	data reduction
SCALA	data scaling

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2010-01-26

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2010-01-26
Type: Initial release
Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance
Version 1.2: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description

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Crystal Structure of the CBS domains from the Bacillus subtilis CcpN repressor complexed with ADP

Ligand recognition by the energy sensor domain of the CcpN repressor

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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