Header list of 2csa.pdb file
Complete list - 9 20 Bytes
HEADER SIGNALING PROTEIN/MEMBRANE PROTEIN 21-MAY-05 2CSA
TITLE STRUCTURE OF THE M3 MUSCARINIC ACETYLCHOLINE RECEPTOR BASOLATERAL
TITLE 2 SORTING SIGNAL
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MUSCARINIC ACETYLCHOLINE RECEPTOR M3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: THIRD INTRACELLULAR LOOP (RESIDUES:271-289);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS (HUMAN).
KEYWDS BASOLATERAL SORTING-SIGNAL BLSS BETA-TURN, SIGNALING PROTEIN-MEMBRANE
KEYWDS 2 PROTEIN COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR H.A.IVERSON,D.FOX,L.S.NADLER,R.E.KLEVIT,N.M.NATHANSON
REVDAT 4 09-MAR-22 2CSA 1 REMARK
REVDAT 3 24-FEB-09 2CSA 1 VERSN
REVDAT 2 02-AUG-05 2CSA 1 JRNL
REVDAT 1 31-MAY-05 2CSA 0
JRNL AUTH H.A.IVERSON,D.FOX,L.S.NADLER,R.E.KLEVIT,N.M.NATHANSON
JRNL TITL IDENTIFICATION AND STRUCTURAL DETERMINATION OF THE M3
JRNL TITL 2 MUSCARINIC ACETYLCHOLINE RECEPTOR BASOLATERAL SORTING
JRNL TITL 3 SIGNAL.
JRNL REF J.BIOL.CHEM. V. 280 24568 2005
JRNL REFN ISSN 0021-9258
JRNL PMID 15870063
JRNL DOI 10.1074/JBC.M501264200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CNS 1.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON A TOTAL OF 58
REMARK 3 INTER-RESIDUE NOE DISTANCE RESTRAINTS AND 5 DIHEDRAL ANGLE
REMARK 3 RESTRAINTS
REMARK 4
REMARK 4 2CSA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024567.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 285; 278; 288; 298; 308; 318
REMARK 210 PH : 6.4; 6.4; 6.4; 6.4; 6.4; 6.4
REMARK 210 IONIC STRENGTH : NULL; NULL; NULL; NULL; NULL;
REMARK 210 NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT;
REMARK 210 AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1-2MM M3 PEPTIDE, UNLABELED,
REMARK 210 50MM SODIUM PHOSPHATE BUFFER,
REMARK 210 1MM EDTA, 1MM NAN3, 90% H2O, 10%
REMARK 210 D20; 1-2MM M3 PEPTIDE, UNLABELED,
REMARK 210 50MM SODIUM PHOSPHATE BUFFER,
REMARK 210 1MM EDTA, 1MM NAN3, 99.9 % D20,
REMARK 210 0.1% H20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW 5
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, ENERGY MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NOESY SPECTRA WERE COLLECTED WITH A MIXING TIME OF 300MS
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
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 THR A 3 129.30 63.73
REMARK 500 1 GLU A 4 -47.13 -149.99
REMARK 500 1 ALA A 5 -167.18 -59.31
REMARK 500 1 THR A 7 -41.92 -172.52
REMARK 500 1 ASN A 9 100.38 -173.60
REMARK 500 1 PHE A 10 -52.23 -147.88
REMARK 500 1 VAL A 11 -46.89 -151.06
REMARK 500 1 SER A 17 -74.54 -60.38
REMARK 500 1 ARG A 18 -69.92 -108.99
REMARK 500 2 GLU A 4 -51.86 -160.57
REMARK 500 2 ALA A 5 -78.70 -84.68
REMARK 500 2 GLU A 6 52.51 -90.09
REMARK 500 2 THR A 7 81.76 -161.19
REMARK 500 2 ASN A 9 100.43 60.50
REMARK 500 2 PHE A 10 -52.10 -152.41
REMARK 500 2 VAL A 11 -46.91 -150.93
REMARK 500 3 GLU A 4 -47.18 -149.98
REMARK 500 3 ALA A 5 -70.14 -59.99
REMARK 500 3 GLU A 6 -77.32 -86.18
REMARK 500 3 THR A 7 92.25 60.57
REMARK 500 3 PHE A 10 -53.22 -127.89
REMARK 500 3 VAL A 11 -46.69 -152.03
REMARK 500 3 THR A 14 -178.12 -57.71
REMARK 500 4 THR A 3 110.66 60.58
REMARK 500 4 GLU A 4 31.59 -159.93
REMARK 500 4 THR A 7 80.09 -168.96
REMARK 500 4 PHE A 10 -51.51 -129.88
REMARK 500 4 VAL A 11 -45.28 -153.62
REMARK 500 4 SER A 17 -170.09 -176.40
REMARK 500 5 THR A 3 87.98 60.43
REMARK 500 5 GLU A 4 31.67 -152.24
REMARK 500 5 ASN A 9 86.44 -179.18
REMARK 500 5 PHE A 10 -57.81 -135.04
REMARK 500 5 VAL A 11 -45.71 -155.50
REMARK 500 5 ARG A 18 105.09 -166.98
REMARK 500 6 THR A 3 95.05 -163.77
REMARK 500 6 GLU A 4 31.76 -150.52
REMARK 500 6 ALA A 5 -79.36 -89.67
REMARK 500 6 THR A 7 97.96 60.52
REMARK 500 6 PHE A 10 -85.43 -95.45
REMARK 500 6 VAL A 11 -68.56 -155.89
REMARK 500 6 SER A 16 35.45 -171.39
REMARK 500 7 THR A 3 104.96 56.95
REMARK 500 7 THR A 7 84.44 -158.34
REMARK 500 7 ASN A 9 80.63 60.54
REMARK 500 7 PHE A 10 -85.19 -73.92
REMARK 500 7 VAL A 11 -53.37 -154.28
REMARK 500 7 HIS A 12 -52.06 178.35
REMARK 500 7 THR A 14 179.37 -54.54
REMARK 500 7 SER A 16 124.71 -170.03
REMARK 500
REMARK 500 THIS ENTRY HAS 67 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2CSA A 1 19 UNP P20309 ACM3_HUMAN 271 289
SEQRES 1 A 19 SER GLY THR GLU ALA GLU THR GLU ASN PHE VAL HIS PRO
SEQRES 2 A 19 THR GLY SER SER ARG SER
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
Complete list - 9 20 Bytes