Header list of 1hua.pdb file
Complete list - 29 202 Bytes
HEADER TEXTURE OF CONNECTIVE TISSUE 31-JAN-94 1HUA TITLE THE SOLUTION CONFORMATION OF HYALURONAN: A COMBINED NMR AND MOLECULAR TITLE 2 DYNAMICS STUDY CAVEAT 1HUA NGA A 2 HAS WRONG CHIRALITY AT ATOM C4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-D-GLUCOPYRANURONIC ACID-(1-3)-2-ACETAMIDO-2-DEOXY- COMPND 3 BETA-D-GALACTOPYRANOSE-(1-4)-2,6-ANHYDRO-L-GULONIC ACID; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1 KEYWDS TEXTURE OF CONNECTIVE TISSUE EXPDTA SOLUTION NMR NUMMDL 2 AUTHOR S.M.A.HOLMBECK,P.A.PETILLO,L.E.LERNER REVDAT 6 29-JUL-20 1HUA 1 CAVEAT COMPND REMARK DBREF REVDAT 6 2 1 HETNAM LINK ATOM REVDAT 5 13-JUL-11 1HUA 1 VERSN REVDAT 4 23-JUN-10 1HUA 1 HETNAM REVDAT 3 25-AUG-09 1HUA 1 SOURCE REVDAT 2 24-FEB-09 1HUA 1 VERSN REVDAT 1 30-NOV-94 1HUA 0 JRNL AUTH S.M.HOLMBECK,P.A.PETILLO,L.E.LERNER JRNL TITL THE SOLUTION CONFORMATION OF HYALURONAN: A COMBINED NMR AND JRNL TITL 2 MOLECULAR DYNAMICS STUDY. JRNL REF BIOCHEMISTRY V. 33 14246 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 7947836 JRNL DOI 10.1021/BI00251A037 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HUA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000174022. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 2 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 HET GC1 A 1 18 HET NGA A 2 25 HET BDP A 3 17 HETNAM GC1 2,6-ANHYDRO-L-GULONIC ACID HETNAM NGA 2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSE HETNAM BDP BETA-D-GLUCOPYRANURONIC ACID HETSYN BDP D-GLUCURONIC ACID FORMUL 1 GC1 C6 H10 O6 FORMUL 1 NGA C8 H15 N O6 FORMUL 1 BDP C6 H10 O7 LINK O4 GC1 A 1 C1 NGA A 2 1555 1555 1.43 LINK O3 NGA A 2 C1 BDP A 3 1555 1555 1.43 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 - 29 202 Bytes