Header list of 1kx6.pdb file
Complete list - 23 20 Bytes
HEADER HORMONE/GROWTH FACTOR 31-JAN-02 1KX6
TITLE NMR SOLUTION STRUCTURE OF GLUCAGON IN A LIPID-WATER INTERPHASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GLUCAGON;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS PROTEIN WAS CHEMICALLY SYNTHESIZED. IT IS
SOURCE 4 NATURALLY FOUND IN BOS TAURUS (BOVINE).
KEYWDS HORMONE, HORMONE-GROWTH FACTOR COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR W.BRAUN,G.WIDER,K.H.LEE,K.WUTHRICH
REVDAT 3 23-FEB-22 1KX6 1 REMARK
REVDAT 2 24-FEB-09 1KX6 1 VERSN
REVDAT 1 13-FEB-02 1KX6 0
JRNL AUTH W.BRAUN,G.WIDER,K.H.LEE,K.WUTHRICH
JRNL TITL CONFORMATION OF GLUCAGON IN A LIPID-WATER INTERPHASE BY 1H
JRNL TITL 2 NUCLEAR MAGNETIC RESONANCE.
JRNL REF J.MOL.BIOL. V. 169 921 1983
JRNL REFN ISSN 0022-2836
JRNL PMID 6631957
JRNL DOI 10.1016/S0022-2836(83)80143-0
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT (DYANA), GUENTERT (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1KX6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-FEB-02.
REMARK 100 THE DEPOSITION ID IS D_1000015432.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE NA
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 15MM GLUCAGON; 0.7M
REMARK 210 [2H38]DODECYLPHOSPHOCOLINE; 50MM
REMARK 210 PHOSPHATE BUFFER; 15MM GLUCAGON;
REMARK 210 0.7M [2H38]DODECYLPHOSPHOCOLINE;
REMARK 210 50MM PHOSPHATE BUFFER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : WM
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
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
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500
REMARK 500 REMARK: NULL
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 5 159.08 -39.25
REMARK 500 1 THR A 7 153.40 -41.10
REMARK 500 1 SER A 8 -171.87 52.70
REMARK 500 1 TYR A 10 166.01 -42.18
REMARK 500 1 SER A 11 91.18 85.98
REMARK 500 1 LYS A 12 -58.44 82.60
REMARK 500 1 TYR A 13 -39.84 -37.73
REMARK 500 1 SER A 16 81.77 -178.70
REMARK 500 1 ARG A 17 50.50 -142.16
REMARK 500 1 ALA A 19 -137.18 -62.16
REMARK 500 1 GLN A 20 118.54 59.96
REMARK 500 1 ASP A 21 -49.89 80.74
REMARK 500 1 MET A 27 66.96 -178.71
REMARK 500 2 SER A 2 100.11 58.08
REMARK 500 2 GLN A 3 81.77 63.59
REMARK 500 2 THR A 5 159.37 -40.74
REMARK 500 2 THR A 7 160.84 -45.48
REMARK 500 2 SER A 8 141.68 65.28
REMARK 500 2 SER A 11 83.86 77.45
REMARK 500 2 LYS A 12 -59.51 81.08
REMARK 500 2 ASP A 15 -62.26 -132.49
REMARK 500 2 ARG A 18 -79.10 -65.00
REMARK 500 2 GLN A 20 103.04 178.02
REMARK 500 2 ASP A 21 -12.85 84.64
REMARK 500 2 TRP A 25 -49.75 -132.39
REMARK 500 2 MET A 27 29.85 -168.13
REMARK 500 2 ASN A 28 -159.23 40.13
REMARK 500 3 SER A 2 113.21 -176.43
REMARK 500 3 GLN A 3 154.93 59.78
REMARK 500 3 THR A 5 159.74 -41.39
REMARK 500 3 PHE A 6 58.85 -119.75
REMARK 500 3 SER A 8 139.42 62.94
REMARK 500 3 ASP A 9 19.79 56.55
REMARK 500 3 SER A 11 -37.51 88.85
REMARK 500 3 LYS A 12 -38.44 -36.87
REMARK 500 3 LEU A 14 103.99 -47.33
REMARK 500 3 ALA A 19 -139.10 -62.12
REMARK 500 3 GLN A 20 -134.04 71.42
REMARK 500 3 MET A 27 78.82 65.56
REMARK 500 4 GLN A 3 141.09 64.39
REMARK 500 4 THR A 7 63.81 -68.18
REMARK 500 4 ASP A 9 19.92 55.05
REMARK 500 4 SER A 11 89.14 83.89
REMARK 500 4 LYS A 12 -53.01 82.29
REMARK 500 4 TYR A 13 49.31 -85.29
REMARK 500 4 ARG A 17 -45.86 -146.06
REMARK 500 4 GLN A 20 14.72 -145.60
REMARK 500 4 ASP A 21 -41.98 -138.59
REMARK 500 4 MET A 27 83.96 179.93
REMARK 500 5 SER A 2 91.60 62.16
REMARK 500
REMARK 500 THIS ENTRY HAS 243 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1KX6 A 1 29 UNP P01272 GLUC_BOVIN 53 81
SEQRES 1 A 29 HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR
SEQRES 2 A 29 LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU
SEQRES 3 A 29 MET ASN THR
HELIX 1 1 PHE A 22 MET A 27 1 6
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 - 23 20 Bytes