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HEADER HORMONE/GROWTH FACTOR 16-OCT-98 1BYV TITLE GLYCOSYLATED EEL CALCITONIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (CALCITONIN); COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: SYNTHETICALLY GLYCOLYLATED AT ASN3 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANGUILLA JAPONICA; SOURCE 3 ORGANISM_COMMON: JAPANESE EEL; SOURCE 4 ORGANISM_TAXID: 7937 KEYWDS HOROMONE, CALCIUM-REGULATOR, OSTEOPOROSIS, HORMONE-GROWTH FACTOR KEYWDS 2 COMPLEX EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR Y.HASHIMOTO,K.TOMA,J.NISHIKIDO,K.YAMAMOTO,K.HANEDA,T.INAZU, AUTHOR 2 K.G.VALENTINE,S.J.OPELLA REVDAT 6 29-JUL-20 1BYV 1 COMPND REMARK HETNAM LINK REVDAT 6 2 1 SITE REVDAT 5 13-JUL-11 1BYV 1 VERSN REVDAT 4 24-FEB-09 1BYV 1 VERSN REVDAT 3 01-APR-03 1BYV 1 JRNL REVDAT 2 22-DEC-99 1BYV 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 28-OCT-98 1BYV 0 JRNL AUTH Y.HASHIMOTO,K.TOMA,J.NISHIKIDO,K.YAMAMOTO,K.HANEDA,T.INAZU, JRNL AUTH 2 K.G.VALENTINE,S.J.OPELLA JRNL TITL EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF JRNL TITL 2 EEL CALCITONIN IN MICELLES AND LIPID BILAYERS DETERMINED BY JRNL TITL 3 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 38 8377 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10387083 JRNL DOI 10.1021/BI983018J REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BYV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB. REMARK 100 THE DEPOSITION ID IS D_1000008153. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQF-COSY; TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: REMARK 210 THE STRUCTURE WAS DETERMINED USING A SERIES OF 2D NRM SPECTROSCOPY REMARK 210 ON UNLABLED REMARK 210 SAMPLE. SODIUM DODECYL SULFATE (SDS) WAS ADDED TO THE NMR SAMPLE REMARK 210 AT A SDS/ REMARK 210 PEPTIDE MOLAR RATIO OF 100/1. 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 SER A 2 -34.51 -155.97 REMARK 500 1 SER A 5 -66.42 -167.37 REMARK 500 1 TYR A 22 78.32 51.11 REMARK 500 1 VAL A 27 -42.71 -153.31 REMARK 500 2 SER A 2 -55.67 76.18 REMARK 500 2 SER A 5 -67.82 -153.67 REMARK 500 2 TYR A 22 70.05 39.93 REMARK 500 2 ASP A 26 135.69 68.69 REMARK 500 2 VAL A 27 -75.75 -74.23 REMARK 500 3 SER A 2 -48.70 -152.33 REMARK 500 3 SER A 5 -58.82 -158.19 REMARK 500 4 SER A 2 -61.32 -147.92 REMARK 500 4 SER A 5 -67.24 -151.04 REMARK 500 4 ARG A 24 135.12 77.52 REMARK 500 4 ASP A 26 -56.45 -154.39 REMARK 500 5 SER A 5 -65.79 -144.86 REMARK 500 5 ALA A 29 161.16 68.08 REMARK 500 5 THR A 31 141.89 -171.68 REMARK 500 6 ASN A 3 -50.95 -151.27 REMARK 500 6 SER A 5 -70.40 -164.20 REMARK 500 6 LEU A 19 -84.00 -70.07 REMARK 500 6 GLN A 20 -77.19 65.12 REMARK 500 6 TYR A 22 67.68 39.04 REMARK 500 6 ASP A 26 -56.99 -158.90 REMARK 500 6 ALA A 29 -74.82 68.64 REMARK 500 7 ASN A 3 -34.20 -177.33 REMARK 500 7 LEU A 4 66.58 66.37 REMARK 500 7 SER A 5 -65.54 -150.01 REMARK 500 7 THR A 21 43.88 -83.86 REMARK 500 7 TYR A 22 82.97 -156.50 REMARK 500 7 ARG A 24 87.22 60.41 REMARK 500 7 ALA A 29 76.63 58.61 REMARK 500 8 SER A 5 -71.44 -150.87 REMARK 500 8 VAL A 27 173.17 58.63 REMARK 500 9 LEU A 4 54.86 -141.19 REMARK 500 9 SER A 5 -65.72 -150.80 REMARK 500 9 GLN A 20 -65.22 71.87 REMARK 500 10 SER A 5 -64.73 -157.13 REMARK 500 10 ARG A 24 -74.13 76.55 REMARK 500 10 ASP A 26 -95.65 52.67 REMARK 500 10 VAL A 27 -76.49 40.90 REMARK 500 10 ALA A 29 -159.98 -163.67 REMARK 500 REMARK 500 REMARK: NULL DBREF 1BYV A 1 32 UNP P01262 CALC_ANGJA 1 32 SEQRES 1 A 33 CYS SER ASN LEU SER THR CYS VAL LEU GLY LYS LEU SER SEQRES 2 A 33 GLN GLU LEU HIS LYS LEU GLN THR TYR PRO ARG THR ASP SEQRES 3 A 33 VAL GLY ALA GLY THR PRO NH2 MODRES 1BYV ASN A 3 ASN GLYCOSYLATION SITE HET NH2 A 33 3 HET NAG A 300 28 HETNAM NH2 AMINO GROUP HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE FORMUL 1 NH2 H2 N FORMUL 2 NAG C8 H15 N O6 HELIX 1 H1 SER A 5 LEU A 19 1 15 SSBOND 1 CYS A 1 CYS A 7 1555 1555 2.03 LINK ND2 ASN A 3 C1 NAG A 300 1555 1555 1.45 LINK C PRO A 32 N NH2 A 33 1555 1555 1.34 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 - 29 20 Bytes