Header list of 2b0y.pdb file
Complete list - 20 20 Bytes
HEADER CELL ADHESION 15-SEP-05 2B0Y
TITLE SOLUTION STRUCTURE OF A PEPTIDE MIMETIC OF THE FOURTH CYTOPLASMIC LOOP
TITLE 2 OF THE G-PROTEIN COUPLED CB1 CANNABINOID RECEPTOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CANNABINOID RECEPTOR 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FRAGMENT OF THE C-TERMINAL JUXTRAMEMBRANE REGION OF CB1
COMPND 5 CANNABINOID RECEPTOR(INTRACELLULAR 4TH LOOP REGION CB1 401-417);
COMPND 6 SYNONYM: CB1, CB-R, CANN6;
COMPND 7 ENGINEERED: YES;
COMPND 8 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SOURCE IS
SOURCE 4 NATURALLY FOUND IN HOMO SAPIENS (HUMAN).
KEYWDS CELL SURFACE RECEPTORS, G-PROTEIN COUPLED RECEPTORS, CB1 CANNABINOID
KEYWDS 2 RECEPTORS, GTP-BINDING PROTEINS, TWO-DIMENSIONAL PROTON NUCLEAR
KEYWDS 3 MAGNETIC RESONANCE (2D 1H-NMR) SPECTROSCOPY, DQF-COSY, TOCSY, NOESY,
KEYWDS 4 ROESY, SODIUM DODECYLSULFATE (SDS) MICELLES, SIGNAL TRANSDUCTION
KEYWDS 5 MECHANISMS, CELL ADHESION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.R.GRACE,S.M.COWSIK,J.Y.SHIM,W.J.WELSH,A.C.HOWLETT
REVDAT 4 20-OCT-21 2B0Y 1 REMARK SEQADV
REVDAT 3 16-FEB-10 2B0Y 1 JRNL
REVDAT 2 24-FEB-09 2B0Y 1 VERSN
REVDAT 1 29-AUG-06 2B0Y 0
JRNL AUTH C.R.GRACE,S.M.COWSIK,J.Y.SHIM,W.J.WELSH,A.C.HOWLETT
JRNL TITL UNIQUE HELICAL CONFORMATION OF THE FOURTH CYTOPLASMIC LOOP
JRNL TITL 2 OF THE CB1 CANNABINOID RECEPTOR IN A NEGATIVELY CHARGED
JRNL TITL 3 ENVIRONMENT.
JRNL REF J.STRUCT.BIOL. V. 159 359 2007
JRNL REFN ISSN 1047-8477
JRNL PMID 17524664
JRNL DOI 10.1016/J.JSB.2007.04.004
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, DYANA 1.5
REMARK 3 AUTHORS : GUNTERT,P.,MUMENTHALER, C., WUTHRICH, K (DYANA),
REMARK 3 GUNTERT,P.,MUMENTHALER, C., WUTHRICH, K (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2B0Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-FEB-06.
REMARK 100 THE DEPOSITION ID IS D_1000034538.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 3.0
REMARK 210 IONIC STRENGTH : NO SALTS USED
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 5 MM SAMPLE IN H2O (9:1
REMARK 210 H2O/2H2O, PH 3.0).
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 3.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING(DYANA)
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
DBREF 2B0Y A 1 17 UNP P21554 CNR1_HUMAN 400 416
SEQADV 2B0Y SER A 16 UNP P21554 CYS 415 ENGINEERED MUTATION
SEQRES 1 A 17 ARG SER LYS ASP LEU ARG HIS ALA PHE ARG SER MET PHE
SEQRES 2 A 17 PRO SER SER GLU
HELIX 1 1 LYS A 3 ARG A 10 5 8
HELIX 2 2 SER A 11 GLU A 17 1 7
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
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