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- PDB-2bes: Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2bes | ||||||
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Title | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid. | ||||||
![]() | CARBOHYDRATE-PHOSPHATE ISOMERASE | ||||||
![]() | ISOMERASE / RIBOSE 5-PHOSPHATE EPIMERASE / PHOSPHOPENTOSISOMERASE / PENTOSE PHOSPHATE PATHWAY / HIGH-ENERGY ENEDIOLATE INTERMEDIATE | ||||||
Function / homology | ![]() D-allose catabolic process / ribose-5-phosphate isomerase / ribose-5-phosphate isomerase activity / pentose-phosphate shunt, non-oxidative branch / carbohydrate metabolic process / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Roos, A.K. / Ericsson, D.J. / Mowbray, S.L. | ||||||
![]() | ![]() Title: Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism. Authors: Roos, A.K. / Burgos, E. / Ericsson, D.J. / Salmon, L. / Mowbray, S.L. #1: ![]() Title: Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase Has a Known Fold, But a Novel Active Site Authors: Roos, A.K. / Andersson, C.E. / Bergfors, T. / Jacobsson, M. / Karlen, A. / Unge, T. / Jones, T.A. / Mowbray, S.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 163.2 KB | Display | ![]() |
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PDB format | ![]() | 130 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 463.9 KB | Display | ![]() |
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Full document | ![]() | 467.1 KB | Display | |
Data in XML | ![]() | 32.6 KB | Display | |
Data in CIF | ![]() | 45.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2betC ![]() 1uslS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 18474.803 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q7D737, UniProt: P9WKD7*PLUS, ribose-5-phosphate isomerase #2: Chemical | ChemComp-RES / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.8 Å3/Da / Density % sol: 55.9 % |
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Crystal grow | Details: 1.55 M AMMONIUM PHOSPHATE, 0.1 M HEPES, PH 7.5 |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 8, 2003 / Details: MIRRORS |
Radiation | Monochromator: S1(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.009 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→81.65 Å / Num. obs: 55757 / % possible obs: 99.9 % / Observed criterion σ(I): 2.5 / Redundancy: 3.2 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 5.3 |
Reflection shell | Resolution: 2.1→2.2 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 2.5 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1USL Resolution: 2.1→81.65 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.922 / Cross valid method: THROUGHOUT / ESU R: 0.208 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.65 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→81.65 Å
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Refine LS restraints |
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