2QGU

Three-dimensional structure of the phospholipid-binding protein from Ralstonia solanacearum Q8XV73_RALSQ in complex with a phospholipid at the resolution 1.53 A. Northeast Structural Genomics Consortium target RsR89

PDB DOI: https://doi.org/10.2210/pdb2QGU/pdb

Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
Organism(s): Ralstonia pseudosolanacearum GMI1000
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2007-06-29 Released: 2007-07-24
Deposition Author(s): Kuzin, A.P., Chen, Y., Jayaraman, S., Chen, C.X., Fang, Y., Cunningham, K., Ma, L.-C., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.50 Å
R-Value Free: 0.211
R-Value Work: 0.185
R-Value Observed: 0.187

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Three-dimensional structure of the phospholipid-binding protein from Ralstonia solanacearum Q8XV73_RALSQ in complex with a phospholipid at the resolution 1.53 A.

Kuzin, A.P., Chen, Y., Jayaraman, S., Chen, C.X., Fang, Y., Cunningham, K., Ma, L.-C., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T., Hunt, J.F., Tong, L.

To be published.

Macromolecule Content

Total Structure Weight: 23.87 kDa
Atom Count: 1,844
Modelled Residue Count: 179
Deposited Residue Count: 211
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Probable signal peptide protein	A	211	Ralstonia pseudosolanacearum GMI1000	Mutation(s): 15 Gene Names: RSc2958
UniProt
Find proteins for Q8XV73 (Ralstonia nicotianae (strain ATCC BAA-1114 / GMI1000)) Explore Q8XV73 Go to UniProtKB: Q8XV73
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8XV73
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PEF Query on PEF 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]	DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE C₃₇ H₇₄ N O₈ P SLKDGVPOSSLUAI-PGUFJCEWSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

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: 1.50 Å
R-Value Free: 0.211
R-Value Work: 0.185
R-Value Observed: 0.187
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 42.495	α = 90
b = 46.478	β = 90
c = 117.508	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
ADSC	data collection
DENZO	data reduction
SCALEPACK	data scaling
SnB	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2007-07-24

Deposition Author(s):

Northeast Structural Genomics Consortium (NESG)

Revision History (Full details and data files)

Version 1.0: 2007-07-24
Type: Initial release
Version 1.1: 2007-10-01
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Advisory, Source and taxonomy, Version format compliance
Version 1.3: 2018-01-24
Changes: Database references, Structure summary
Version 1.4: 2021-10-20
Changes: Database references, Derived calculations