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- PDB-1sdf: SOLUTION STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), NMR,... -

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Basic information

Entry
Database: PDB / ID: 1sdf
TitleSOLUTION STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), NMR, MINIMIZED AVERAGE STRUCTURE
ComponentsSTROMAL CELL-DERIVED FACTOR-1Stromal cell-derived factor 1
KeywordsCYTOKINE / CHEMOKINES / PROTEIN SYNTHESIS / STROMAL CELL-DERIVED FACTOR-1/G-COUPLED RECEPTORS / SOLUTION STRUCTURE
Function / homology
Function and homology information


chemokine (C-X-C motif) ligand 12 signaling pathway / negative regulation of leukocyte tethering or rolling / response to ultrasound / telencephalon cell migration / regulation of actin polymerization or depolymerization / CXCL12-activated CXCR4 signaling pathway / chemokine receptor binding / positive regulation of vasculature development / CXCR chemokine receptor binding / positive regulation of axon extension involved in axon guidance ...chemokine (C-X-C motif) ligand 12 signaling pathway / negative regulation of leukocyte tethering or rolling / response to ultrasound / telencephalon cell migration / regulation of actin polymerization or depolymerization / CXCL12-activated CXCR4 signaling pathway / chemokine receptor binding / positive regulation of vasculature development / CXCR chemokine receptor binding / positive regulation of axon extension involved in axon guidance / positive regulation of dopamine secretion / Signaling by ROBO receptors / induction of positive chemotaxis / integrin activation / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / negative regulation of dendritic cell apoptotic process / cellular response to chemokine / chemokine-mediated signaling pathway / blood circulation / positive regulation of monocyte chemotaxis / Chemokine receptors bind chemokines / chemokine activity / positive regulation of calcium ion import / detection of temperature stimulus involved in sensory perception of pain / positive regulation of cell adhesion / positive regulation of T cell migration / animal organ regeneration / Nuclear signaling by ERBB4 / detection of mechanical stimulus involved in sensory perception of pain / positive regulation of neuron differentiation / positive regulation of endothelial cell proliferation / cell chemotaxis / adult locomotory behavior / axon guidance / neuron migration / response to virus / growth factor activity / defense response / intracellular calcium ion homeostasis / response to peptide hormone / chemotaxis / integrin binding / G alpha (i) signalling events / collagen-containing extracellular matrix / Estrogen-dependent gene expression / response to hypoxia / cell adhesion / immune response / G protein-coupled receptor signaling pathway / external side of plasma membrane / signaling receptor binding / signal transduction / extracellular exosome / extracellular region
Similarity search - Function
CXC Chemokine domain / Chemokine beta/gamma/delta / Intercrine alpha family (small cytokine C-X-C) (chemokine CXC). / Chemokine interleukin-8-like domain / Chemokine interleukin-8-like superfamily / Small cytokines (intecrine/chemokine), interleukin-8 like / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #40 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Stromal cell-derived factor 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / simulated annealing
AuthorsCrump, M.P. / Rajarathnam, K. / Clark-Lewis, I. / Sykes, B.D.
CitationJournal: EMBO J. / Year: 1997
Title: Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
Authors: Crump, M.P. / Gong, J.H. / Loetscher, P. / Rajarathnam, K. / Amara, A. / Arenzana-Seisdedos, F. / Virelizier, J.L. / Baggiolini, M. / Sykes, B.D. / Clark-Lewis, I.
History
DepositionNov 15, 1997Processing site: BNL
Revision 1.0Jan 28, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: STROMAL CELL-DERIVED FACTOR-1


Theoretical massNumber of molelcules
Total (without water)7,8491
Polymers7,8491
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / 30AVERAGE STRUCTURE
Representative

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Components

#1: Protein STROMAL CELL-DERIVED FACTOR-1 / Stromal cell-derived factor 1 / SDF


Mass: 7849.280 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / References: UniProt: P48061

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121NOESY
131TOCSY
14113C-HSQC
15113C EDITED HMQC-NOESY
16115N-HSQC
1713D 15N-EDITED NOESY-HSQC

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Sample preparation

Sample conditionspH: 4.9 / Temperature: 303 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian VARIAN INOVAVarianVARIAN INOVA5001
Varian UNITYVarianUNITY6002

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.1BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
Details: STRUCTURES WERE REFINED WITH MULTIPLE ROUNDS OF SIMULATED ANNEALING, WITH THE ADDITION OF NEW NOES AND CORRECTION OF AMBIGUOUS NOES. DETAILS OF THE NUMBER OF RESTRAINTS ETC. CAN BE FOUND IN ...Details: STRUCTURES WERE REFINED WITH MULTIPLE ROUNDS OF SIMULATED ANNEALING, WITH THE ADDITION OF NEW NOES AND CORRECTION OF AMBIGUOUS NOES. DETAILS OF THE NUMBER OF RESTRAINTS ETC. CAN BE FOUND IN THE JRNL CITATION ABOVE.
NMR ensembleConformer selection criteria: AVERAGE STRUCTURE / Conformers calculated total number: 30 / Conformers submitted total number: 1

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