- PDB-1w4z: Structure of actinorhodin polyketide (actIII) Reductase -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 1w4z
Title
Structure of actinorhodin polyketide (actIII) Reductase
Components
KETOACYL REDUCTASE
Keywords
ANTIBIOTIC BIOSYNTHESIS / TYPE II POLYKETIDE SYNTHESIS / KETOREDUCTASE / SDR / ACP BINDING
Function / homology
Function and homology information
Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor / steroid metabolic process / antibiotic biosynthetic process / oxidoreductase activity Similarity search - Function
Mass: 29464.361 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOMYCES COELICOLOR (bacteria) / Strain: A3(2) / M145 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P16544, Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor
Mass: 18.015 Da / Num. of mol.: 42 / Source method: isolated from a natural source / Formula: H2O
Sequence details
MODIFIED BY ADDITION OF N-TERMINAL HIS TAG
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.3 Å3/Da / Density % sol: 62.5 %
Crystal grow
Details: MOTHER LIQUOR 5 MG ML-1 PROTEIN AND 5 MM NADP IN 25 MM PHOSPHATE BUFFER PH 8 WITH 10%(V/V) GLYCEROL RESERVOIR SOLUTION 4.0-4.4 M SODIUM FORMATE
Resolution: 2.5→30 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.942 / SU B: 6.82 / SU ML: 0.154 / Cross valid method: THROUGHOUT / ESU R: 0.3 / ESU R Free: 0.219 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES B203-B209 WERE DISORDERED
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.218
1352
5.1 %
RANDOM
Rwork
0.183
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obs
0.185
25371
99.8 %
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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