+Open data
-Basic information
Entry | Database: PDB / ID: 1mrp | ||||||
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Title | FERRIC-BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE | ||||||
Components | FERRIC IRON BINDING PROTEIN | ||||||
Keywords | IRON TRANSPORT / FERRIC IRON BINDING PROTEIN / PERIPLASMIC BINDING PROTEIN / TRANSFERRIN SUPERFAMILY | ||||||
Function / homology | Function and homology information transmembrane transport / iron ion transport / periplasmic space / metal ion binding Similarity search - Function | ||||||
Biological species | Haemophilus influenzae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MIR / Resolution: 1.6 Å | ||||||
Authors | Bruns, C.M. / Nowalk, A.J. / Arvai, A.S. / Mctigue, M.A. / Vaughan, K.G. / Mietzner, T.A. / Mcree, D.E. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1997 Title: Structure of Haemophilus influenzae Fe(+3)-binding protein reveals convergent evolution within a superfamily. Authors: Bruns, C.M. / Nowalk, A.J. / Arvai, A.S. / McTigue, M.A. / Vaughan, K.G. / Mietzner, T.A. / McRee, D.E. #1: Journal: J.Biol.Chem. / Year: 1995 Title: Biochemical Characterization of a Haemophilus Influenzae Periplasmic Iron Transport Operon Authors: Adhikari, P. / Kirby, S.D. / Nowalk, A.J. / Veraldi, K.L. / Schryvers, A.B. / Mietzner, T.A. #2: Journal: Biochemistry / Year: 1994 Title: Coordination of Iron by the Ferric Iron-Binding Protein of Pathogenic Neisseria is Homologous to the Transferrins Authors: Nowalk, A.J. / Tencza, S.B. / Mietzner, T.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mrp.cif.gz | 76.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mrp.ent.gz | 57.5 KB | Display | PDB format |
PDBx/mmJSON format | 1mrp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mr/1mrp ftp://data.pdbj.org/pub/pdb/validation_reports/mr/1mrp | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 33769.250 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae (bacteria) / Cellular location: PERIPLASMIC SPACEPeriplasm / Gene: HITA / Plasmid: PBSJ1 / Gene (production host): HITA / Production host: Escherichia coli (E. coli) / Strain (production host): H-1443 / References: UniProt: P35755 |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-PO4 / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 35 % | ||||||||||||||||||||||||
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Crystal grow | pH: 6.6 Details: 20% PEG 4000, 400 MM IMIDAZOLE/MALATE PH 6.6, 200 MM NACL | ||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 292 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Dec 1, 1996 / Details: MIRRORS |
Radiation | Monochromator: MIRRORS / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→50 Å / Num. obs: 36442 / % possible obs: 93 % / Observed criterion σ(I): 0 / Redundancy: 3.1 % / Rsym value: 0.072 / Net I/σ(I): 27.3 |
Reflection shell | Resolution: 1.6→1.66 Å / Redundancy: 1.54 % / Mean I/σ(I) obs: 2.1 / Rsym value: 0.282 / % possible all: 54 |
Reflection | *PLUS Rmerge(I) obs: 0.072 |
Reflection shell | *PLUS % possible obs: 54 % / Rmerge(I) obs: 0.282 |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 1.6→50 Å / Isotropic thermal model: TNT BCORREL V1.0 Cross valid method: THROUGHOUT, EXCEPT FINAL ROUND OF REFINEMENT σ(F): 0 / Stereochemistry target values: TNT PROTGEO
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Solvent computation | Solvent model: BABINET SCALING / Bsol: 182.5 Å2 / ksol: 0.79 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→50 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Version: 5E / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.175 | ||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Highest resolution: 1.6 Å / Lowest resolution: 1.66 Å / Rfactor all: 0.36 |