PDB-2brd: CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN PURPLE MEMBRANE

Entry
Summary
Database / ID	PORTEIN DATA BANK (PDB) / 2brd
Title	CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN PURPLE MEMBRANE
Descriptor	BACTERIORHODOPSIN PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER RETINAL
Keywords	PHOTORECEPTOR, PROTON PUMP, MEMBRANE PROTEIN, RETINAL PROTEIN, TWO-DIMENSIONAL CRYSTAL
Authors	Henderson, R., Grigorieff, N.
Date	Deposition: 1995-12-27, Release: 1996-06-10
PDBj Mine pages	Summary, Structural Details, Experimental Details, Functional Details
Other databases	RCSB-PDB, PDBe, CATH, CE, FSSP, SCOP, VAST
Structure Visualization
Movies	Movie Page #1: Biological unit as trimeric, Made by Jmol #2: Depositted structure unit, Made by Jmol
Structure viewers	Yorodumi, jV4, Jmol, Biological unit (Images, jV)
Related Structure Data
Similar strucutres (beta)	Diagram PDB-2at9 PDB-3fi1 PDB-2b6o PDB-3b8k PDB-2zhc List of similar structure data about Omokage system

Article
Citation - primary
Article	J. Mol. Biol., Vol. 259, Issue 3, Page 393-421, Year 1996
Title	Electron-crystallographic refinement of the structure of bacteriorhodopsin.
Authors	N Grigorieff, T A Ceska, K H Downing, J M Baldwin, R Henderson MRC Laboratory of Molecular Biology, Cambridge, UK.
Keywords	Amino Acid Sequence, Bacteriorhodopsins (chemistry, 53026-44-1), Crystallography, X-Ray (methods), Electrons, Lipid Metabolism, Lipids (chemistry), Models, Molecular, Molecular Sequence Data, Protein Conformation, Temperature
Links	PubMed: 8676377, PII: S0022-2836(96)90328-9, DOI: 10.1006/jmbi.1996.0328
Citation - 1
Article	J.Mol.Biol., Vol. 213, Page: 539 - , Year: 1990,
Title	Analysis of High-Resolution Electron Diffraction Patterns from Purple Membrane Labelled with Heavy-Atoms
Authors	Ceska, T.A., Henderson, R.
Citation - 2
Article	J.Mol.Biol., Vol. 213, Page: 899 - , Year: 1990,
Title	Model for the Structure of Bacteriorhodopsin Based on High-Resolution Electron Cryo-Microscopy
Authors	Henderson, R., Baldwin, J.M., Ceska, T.A., Zemlin, F., Beckmann, E., Downing, K.H.
Citation - 3
Article	Nature, Vol. 257, Page: 28 - , Year: 1975,
Title	Three-Dimensional Model of Purple Membrane Obtained by Electron Microscopy
Authors	Henderson, R., Unwin, P.N.

Components
ID 1 : BACTERIORHODOPSIN
Image
Description	BACTERIORHODOPSIN
Type	polymer
Formula weight	26797.562 Da
Number of molecules	1
Source	Method: Isolated from a genetically manipulated source Gene: Halobacterium, R1, ID:2242, Halobacterium salinarum
Links	UniProt: P02945, Sequence view
ID 2 : PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER
Image
Description	PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER
Type	non-polymer
Formula weight	887.205 Da
Number of molecules	10
Source	Method: Obtained synthetically
ID 3 : RETINAL
Image
Description	RETINAL
Type	non-polymer
Formula weight	284.441 Da
Number of molecules	1
Source	Method: Obtained synthetically

Processing
Reflection
D resolution high	2.8
D resolution low	54.0
Entry id	2BRD
Number obs	6750
Observed criterion sigma I	0.0
Rmerge I obs	0.1500000
ID	1
Redundancy	18.
Percent possible obs	62.3
Computing
Data reduction ii	PICKYCOR, AN MRC ELECTRON DIFFRACTION PROGRAM
Structure refinement	PROLSQ
Refine
B iso mean	114.
Ls R factor R work	0.2800000
Ls d res high	3.5 A
Ls d res low	30. A
Ls number reflection obs	4743
Ls percent reflection obs	85.4
ID	1
Ls sigma F	0.0
Refine hist
D res high	3.5
D res low	30.
Total atoms	2328
Ligand atoms	610
Protein atoms	1718
Software
Classification	refinement
Name	PROLSQ