1B50

NMR STRUCTURE OF HUMAN MIP-1A D26A, 10 STRUCTURES

> Summary

Summary for 1B50

DescriptorMIP-1A
Functional Keywordschemokine, cytokine, chemotaxis
Biological sourceHomo sapiens (human)
Cellular locationSecreted P10147
Total number of polymer chains2
Total molecular weight15357.28
Authors
Waltho, J.P.,Higgins, L.D.,Craven, C.J.,Tan, P.,Dudgeon, T. (deposition date: 1999-01-11, release date: 1999-07-22, modification date: 2012-02-22)
Primary citation
Czaplewski, L.G.,McKeating, J.,Craven, C.J.,Higgins, L.D.,Appay, V.,Brown, A.,Dudgeon, T.,Howard, L.A.,Meyers, T.,Owen, J.,Palan, S.R.,Tan, P.,Wilson, G.,Woods, N.R.,Heyworth, C.M.,Lord, B.I.,Brotherton, D.,Christison, R.,Craig, S.,Cribbes, S.,Edwards, R.M.,Evans, S.J.,Gilbert, R.,Morgan, P.,Randle, E.,Schofield, N.,Varley, P.G.,Fisher, J.,Waltho, J.P.,Hunter, M.G.
Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1alpha, MIP-1beta, and RANTES. Characterization of active disaggregated chemokine variants.
J.Biol.Chem., 274:16077-16084, 1999
PubMed: 10347159
DOI: 10.1074/jbc.274.23.16077
MImport into Mendeley
Experimental method
SOLUTION NMR
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Structure validation

ClashscoreRamachandran outliersSidechain outliers9418.0%33.6%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures

More Asymmetric unit images

Molmil generated image of 1b50
no rotation
Molmil generated image of 1b50
rotated about x axis by 90°
Molmil generated image of 1b50
rotated about y axis by 90°

> Structural details

Entity

Chain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
A, BMIP-1Apolymer697678.62
UniProt (P10147)
Pfam (PF00048)
Homo sapiens (human)@PDBj

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains2
Total molecular weight15357.3
Non-Polymers*Number of molecules0
Total molecular weight0.0
All*Total molecular weight15357.3
*Water molecules are not included.

> Experimental details

Spectrometer

Experimental method:SOLUTION NMR
Spectrometer IDSpectrometer makerSpectrometer modelSpectrometer typeSpectrometer field strength
1BRUKERAMX500500

Experiment

experiment idconditions idsolution idExperiment type
111ST
211ARD HETERONUCLEAR TECHNIQUES

NMR Sample

conditions idNMR sample pHNMR sample pressureNMR sample temperature
13.51318

Conformers

Conformers Calculated Total Number30
Conformers Submitted Total Number10

> Functional details

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005622cellular_componentintracellular
A0004698molecular_functioncalcium-dependent protein kinase C activity
A0031726molecular_functionCCR1 chemokine receptor binding
A0031730molecular_functionCCR5 chemokine receptor binding
A0042056molecular_functionchemoattractant activity
A0008009molecular_functionchemokine activity
A0042802molecular_functionidentical protein binding
A0016301molecular_functionkinase activity
A0016004molecular_functionphospholipase activator activity
A0004672molecular_functionprotein kinase activity
A0043615biological_processastrocyte cell migration
A0007610biological_processbehavior
A0006816biological_processcalcium ion transport
A0019722biological_processcalcium-mediated signaling
A0001775biological_processcell activation
A0007267biological_processcell-cell signaling
A0006874biological_processcellular calcium ion homeostasis
A0071346biological_processcellular response to interferon-gamma
A0071347biological_processcellular response to interleukin-1
A0071407biological_processcellular response to organic cyclic compound
A0071356biological_processcellular response to tumor necrosis factor
A0070098biological_processchemokine-mediated signaling pathway
A0006935biological_processchemotaxis
A0007010biological_processcytoskeleton organization
A0048245biological_processeosinophil chemotaxis
A0043308biological_processeosinophil degranulation
A0006887biological_processexocytosis
A0007186biological_processG-protein coupled receptor signaling pathway
A0071621biological_processgranulocyte chemotaxis
A0006954biological_processinflammatory response
A0031663biological_processlipopolysaccharide-mediated signaling pathway
A0048247biological_processlymphocyte chemotaxis
A0048246biological_processmacrophage chemotaxis
A0000165biological_processMAPK cascade
A0002548biological_processmonocyte chemotaxis
A0043922biological_processnegative regulation by host of viral transcription
A0030502biological_processnegative regulation of bone mineralization
A0010629biological_processnegative regulation of gene expression
A0045671biological_processnegative regulation of osteoclast differentiation
A0030593biological_processneutrophil chemotaxis
A0001649biological_processosteoblast differentiation
A0050918biological_processpositive chemotaxis
A0090280biological_processpositive regulation of calcium ion import
A0051928biological_processpositive regulation of calcium ion transport
A0050850biological_processpositive regulation of calcium-mediated signaling
A0030335biological_processpositive regulation of cell migration
A0070374biological_processpositive regulation of ERK1 and ERK2 cascade
A0010628biological_processpositive regulation of gene expression
A0043547biological_processpositive regulation of GTPase activity
A0050729biological_processpositive regulation of inflammatory response
A0050718biological_processpositive regulation of interleukin-1 beta secretion
A2000503biological_processpositive regulation of natural killer cell chemotaxis
A0043525biological_processpositive regulation of neuron apoptotic process
A0051897biological_processpositive regulation of protein kinase B signaling
A0032760biological_processpositive regulation of tumor necrosis factor production
A0043491biological_processprotein kinase B signaling
A0008360biological_processregulation of cell shape
A0051930biological_processregulation of sensory perception of pain
A0014808biological_processrelease of sequestered calcium ion into cytosol by sarcoplasmic reticulum
A0070723biological_processresponse to cholesterol
A0009636biological_processresponse to toxic substance
A0023052biological_processsignaling
A0010818biological_processT cell chemotaxis
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005622cellular_componentintracellular
B0004698molecular_functioncalcium-dependent protein kinase C activity
B0031726molecular_functionCCR1 chemokine receptor binding
B0031730molecular_functionCCR5 chemokine receptor binding
B0042056molecular_functionchemoattractant activity
B0008009molecular_functionchemokine activity
B0042802molecular_functionidentical protein binding
B0016301molecular_functionkinase activity
B0016004molecular_functionphospholipase activator activity
B0004672molecular_functionprotein kinase activity
B0043615biological_processastrocyte cell migration
B0007610biological_processbehavior
B0006816biological_processcalcium ion transport
B0019722biological_processcalcium-mediated signaling
B0001775biological_processcell activation
B0007267biological_processcell-cell signaling
B0006874biological_processcellular calcium ion homeostasis
B0071346biological_processcellular response to interferon-gamma
B0071347biological_processcellular response to interleukin-1
B0071407biological_processcellular response to organic cyclic compound
B0071356biological_processcellular response to tumor necrosis factor
B0070098biological_processchemokine-mediated signaling pathway
B0006935biological_processchemotaxis
B0007010biological_processcytoskeleton organization
B0048245biological_processeosinophil chemotaxis
B0043308biological_processeosinophil degranulation
B0006887biological_processexocytosis
B0007186biological_processG-protein coupled receptor signaling pathway
B0071621biological_processgranulocyte chemotaxis
B0006954biological_processinflammatory response
B0031663biological_processlipopolysaccharide-mediated signaling pathway
B0048247biological_processlymphocyte chemotaxis
B0048246biological_processmacrophage chemotaxis
B0000165biological_processMAPK cascade
B0002548biological_processmonocyte chemotaxis
B0043922biological_processnegative regulation by host of viral transcription
B0030502biological_processnegative regulation of bone mineralization
B0010629biological_processnegative regulation of gene expression
B0045671biological_processnegative regulation of osteoclast differentiation
B0030593biological_processneutrophil chemotaxis
B0001649biological_processosteoblast differentiation
B0050918biological_processpositive chemotaxis
B0090280biological_processpositive regulation of calcium ion import
B0051928biological_processpositive regulation of calcium ion transport
B0050850biological_processpositive regulation of calcium-mediated signaling
B0030335biological_processpositive regulation of cell migration
B0070374biological_processpositive regulation of ERK1 and ERK2 cascade
B0010628biological_processpositive regulation of gene expression
B0043547biological_processpositive regulation of GTPase activity
B0050729biological_processpositive regulation of inflammatory response
B0050718biological_processpositive regulation of interleukin-1 beta secretion
B2000503biological_processpositive regulation of natural killer cell chemotaxis
B0043525biological_processpositive regulation of neuron apoptotic process
B0051897biological_processpositive regulation of protein kinase B signaling
B0032760biological_processpositive regulation of tumor necrosis factor production
B0043491biological_processprotein kinase B signaling
B0008360biological_processregulation of cell shape
B0051930biological_processregulation of sensory perception of pain
B0014808biological_processrelease of sequestered calcium ion into cytosol by sarcoplasmic reticulum
B0070723biological_processresponse to cholesterol
B0009636biological_processresponse to toxic substance
B0023052biological_processsignaling
B0010818biological_processT cell chemotaxis
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS004722Small cytokines (intercrine/chemokine) C-C subfamily signature. C-C-[LIFYTRQ]-x(5,8)-[LIR]-x(4)-[LIVMFA]-x(2)-[FYWECI]-x(5,8)-C-x(3,4)
ChainResidueDetails
ANA*
BNA*

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails
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Catalytic Information from CATRES

site_idNumber of ResiduesDetails

> Sequence Neighbor

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