4ND9

The putative substrate binding domain of ABC-type transporter from Agrobacterium tumefaciens in open conformation

PDB DOI: https://doi.org/10.2210/pdb4ND9/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Agrobacterium fabrum str. C58
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2013-10-25 Released: 2013-12-11
Deposition Author(s): Nicholls, R., Tkaczuk, K.L., Kagan, O., Chruszcz, M., Domagalski, M.J., Savchenko, A., Joachimiak, A., Murshudov, G., Minor, W., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.253
R-Value Work: 0.200
R-Value Observed: 0.202

wwPDB Validation 3D Report Full Report

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

Literature

The putative substrate binding domain of ABC-type transporter from Agrobacterium tumefaciens in open conformation

Nicholls, R., Tkaczuk, K.L., Kagan, O., Chruszcz, M., Domagalski, M.J., Savchenko, A., Joachimiak, A., Murshudov, G., Minor, W., Midwest Center for Structural Genomics (MCSG)

To be published.

Macromolecule Content

Total Structure Weight: 30.61 kDa
Atom Count: 2,187
Modelled Residue Count: 280
Deposited Residue Count: 286
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
ABC transporter, substrate binding protein (Proline/glycine/betaine)	A	286	Agrobacterium fabrum str. C58	Mutation(s): 0 Gene Names: Atu0199
UniProt
Find proteins for A9CKK7 (Agrobacterium fabrum (strain C58 / ATCC 33970)) Explore A9CKK7 Go to UniProtKB: A9CKK7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A9CKK7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MSE Query on MSE	A	L-PEPTIDE LINKING	C₅ H₁₁ N O₂ Se		MET

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.253
R-Value Work: 0.200
R-Value Observed: 0.202
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 45.702	α = 90
b = 64.155	β = 90
c = 101.123	γ = 90

Software Package:

Software Name	Purpose
HKL-3000	data collection
SHELXS	phasing
REFMAC	refinement
HKL-3000	data reduction
HKL-3000	data scaling

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2013-12-11

Deposition Author(s):

Domagalski, M.J.

Midwest Center for Structural Genomics (MCSG)

Revision History (Full details and data files)

Version 1.0: 2013-12-11
Type: Initial release
Version 1.1: 2022-04-13
Changes: Database references, Derived calculations, Structure summary

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.