MEMBRANE PROTEIN / ION-CHANNEL ENGINEERING / OMPG HYBRIDS
Function / homology
Function and homology information
carbohydrate transmembrane transport / oligosaccharide transporting porin activity / maltose transporting porin activity / porin activity / pore complex / monoatomic ion transport / cell outer membrane Similarity search - Function
Outer membrane porin G / Outer membrane protein G (OmpG) / monomeric porin ompg / Porin / Beta Barrel / Mainly Beta Similarity search - Domain/homology
SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 14-STRANDED BARREL THIS IS REPRESENTED BY A 15-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 77 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, TYR 230 TO CYS
Nonpolymer details
N-OCTYLTETRAOXYETHYLENE (EDO): PARTIAL ELECTRON DENSITY OF N-OCTYLTETRAOXYETHYLENE WAS MODELED WITH ...N-OCTYLTETRAOXYETHYLENE (EDO): PARTIAL ELECTRON DENSITY OF N-OCTYLTETRAOXYETHYLENE WAS MODELED WITH ETHYLENGLYCOLE UNIT N-OCTYLTETRAOXYETHYLENE (C8E): PARTIAL OR COMPLETE ELECTRON DENSITY OF N-OCTYLTETRAOXYETHYLENE WAS MODELED WITH ETHYLENGLYCOLE UNIT N-(2-ETHYL-ACETAMIDE)-DANSYL (420): N2ETHYLIODOACETAMIDEDANSYL WAS COVALENTLY BOUND TO CYSTEINE 209 BY SUBSTITUTION OF IODIDE
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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: 3.12 Å3/Da / Density % sol: 60.61 % / Description: NONE
Crystal grow
pH: 5.75 Details: 50 MM CACODYLATE, PH 5.75, 1.2 M SODIUM FORMATE AND 28% PEG400
Resolution: 2.4→30 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.89 / SU B: 21.587 / SU ML: 0.229 / Cross valid method: THROUGHOUT / ESU R: 0.415 / ESU R Free: 0.298 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE ONLY. U VALUES HAVE BEEN REFINED RESIDUAL ONLY. THERE ARE THREE GAPS IN DISORDERED LOOPS ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU ...Details: HYDROGENS HAVE BEEN ADDED IN THE ONLY. U VALUES HAVE BEEN REFINED RESIDUAL ONLY. THERE ARE THREE GAPS IN DISORDERED LOOPS ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28735
730
5 %
RANDOM
Rwork
0.22081
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obs
0.224
13933
94.47 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK