1JEX

SOLUTION STRUCTURE OF A67V MUTANT OF RAT FERRO CYTOCHROME B5

> Summary

Summary for 1JEX

Related1IB7 1B5A
DescriptorCYTOCHROME B5
Functional Keywordscytochrome b5, electron transport, solution structures
Biological sourceRattus norvegicus (Norway rat)
Cellular locationEndoplasmic reticulum membrane; Single-pass membrane protein; Cytoplasmic side P00173
Total number of polymer chains1
Total molecular weight11458.57
Authors
Shahzad, N.,Dangi, B.,Blankman, J.I.,Guiles, R.D. (deposition date: 2001-06-19, release date: 2001-07-11, modification date: 2009-02-24)
Primary citation
SHAHZAD, N.,DANGI, B.,BLANKMAN, J.I.,GUILES, R.D.
MUTAGENIC MODULATION OF THE ENTROPY CHANGE ON OXIDATION OF CYTOCHROME B5: AN ANALYSIS OF THE CONTRIBUTION OF CONFORMATIONAL ENTROPY
To be Published,
Experimental method
SOLUTION NMR
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers483.0%39.1%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures

More Asymmetric unit images

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

> Structural details

Entity

Chain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
ACYTOCHROME B5polymer9410842.11
UniProt (P00173)
Pfam (PF00173)
Rattus norvegicus (Norway rat)@PDBj
PROTOPORPHYRIN IX CONTAINING FEnon-polymer616.51

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains1
Total molecular weight10842.1
Non-Polymers*Number of molecules1
Total molecular weight616.5
All*Total molecular weight11458.6
*Water molecules are not included.

> Experimental details

Spectrometer

Experimental method:SOLUTION NMR

Spectrometer IDSpectrometer makerSpectrometer modelSpectrometer typeSpectrometer field strength
1BrukerDMX600

Experiment

experiment idconditions idsolution idExperiment type
1112D NOESY
211HNHA
3113D_15N-separated_NOESY

NMR Sample

conditions idNMR sample pHNMR sample pressureNMR sample temperature
17ambient313

Conformers

Conformers Calculated Total Number200
Conformers Submitted Total Number20

> Functional details

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0070062cellular_componentextracellular exosome
A0016021cellular_componentintegral component of membrane
A0043231cellular_componentintracellular membrane-bounded organelle
A0005739cellular_componentmitochondrion
A0009055molecular_functionelectron carrier activity
A0020037molecular_functionheme binding
A0046872molecular_functionmetal ion binding
A0055114biological_processoxidation-reduction process
A0046686biological_processresponse to cadmium ion
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC111BINDING SITE FOR RESIDUE HEM A 95
ChainResidue
ALEU32
AHIS39
APRO40
AALA54
AASN57
APHE58
AVAL61
AHIS63
ASER64
AVAL67
ALEU70

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

site_idNumber of ResiduesDetails
HEM_1jex_A_9534PROTOPORPHYRIN IX CONTAINING FE binding site
ChainResidueligand
AVAL23HEM: PROTOPORPHYRIN IX CONTAINING FE
ALEU25HEM: PROTOPORPHYRIN IX CONTAINING FE
ATYR30HEM: PROTOPORPHYRIN IX CONTAINING FE
ALEU32HEM: PROTOPORPHYRIN IX CONTAINING FE
APHE35HEM: PROTOPORPHYRIN IX CONTAINING FE
AHIS39-GLY42HEM: PROTOPORPHYRIN IX CONTAINING FE
AVAL45-LEU46HEM: PROTOPORPHYRIN IX CONTAINING FE
AGLU48-GLN49HEM: PROTOPORPHYRIN IX CONTAINING FE
AALA54-SER64HEM: PROTOPORPHYRIN IX CONTAINING FE
AASP66-ARG68HEM: PROTOPORPHYRIN IX CONTAINING FE
ALEU70-SER71HEM: PROTOPORPHYRIN IX CONTAINING FE
ATYR74-ILE75HEM: PROTOPORPHYRIN IX CONTAINING FE
AGLU38HEM: PROTOPORPHYRIN IX CONTAINING FE
AASP31HEM: PROTOPORPHYRIN IX CONTAINING FE
AGLU69HEM: PROTOPORPHYRIN IX CONTAINING FE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS001911Cytochrome b5 family, heme-binding domain signature. [FY]-[LIVMK]-{I}-{Q}-H-P-[GA]-G
ChainResidueDetails
ANA*

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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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