Header list of 1k2g.pdb file
Complete list - 23 202 Bytes
HEADER RNA 27-SEP-01 1K2G TITLE STRUCTURAL BASIS FOR THE 3'-TERMINAL GUANOSINE RECOGNITION BY THE TITLE 2 GROUP I INTRON COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*CP*AP*GP*AP*CP*UP*UP*CP*GP*GP*UP*CP*GP*CP*AP*GP*AP*GP COMPND 3 *AP*UP*GP*G)-3'; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: P7-P9.0 DOMAIN OF RNA GROUP I INTRON SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SEQUENCE FROM TETRAHYMENA THERMOPHILA. KEYWDS BASE TRIPLE RECOGNITION OF A GUANOSINE, UUCG TETRALOOP, GAGA KEYWDS 2 TETRALOOP, RNA EXPDTA SOLUTION NMR AUTHOR Y.KITAMURA,Y.MUTO,S.WATANABE,I.KIM,T.ITO,Y.NISHIYA,K.SAKAMOTO, AUTHOR 2 T.OHTSUKI,G.KAWAI,K.WATANABE,K.HOSONO,H.TAKAKU,E.KATOH,T.YAMAZAKI, AUTHOR 3 T.INOUE,S.YOKOYAMA REVDAT 4 23-FEB-22 1K2G 1 REMARK REVDAT 3 24-FEB-09 1K2G 1 VERSN REVDAT 2 01-APR-03 1K2G 1 JRNL REVDAT 1 08-MAY-02 1K2G 0 JRNL AUTH A.KITAMURA,Y.MUTO,S.WATANABE,I.KIM,T.ITO,Y.NISHIYA, JRNL AUTH 2 K.SAKAMOTO,T.OHTSUKI,G.KAWAI,K.WATANABE,K.HOSONO,H.TAKAKU, JRNL AUTH 3 E.KATOH,T.YAMAZAKI,T.INOUE,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF AN RNA FRAGMENT WITH THE P7/P9.0 JRNL TITL 2 REGION AND THE 3'-TERMINAL GUANOSINE OF THE TETRAHYMENA JRNL TITL 3 GROUP I INTRON. JRNL REF RNA V. 8 440 2002 JRNL REFN ISSN 1355-8382 JRNL PMID 11991639 JRNL DOI 10.1017/S1355838202026043 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8, X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1K2G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-SEP-01. REMARK 100 THE DEPOSITION ID IS D_1000014476. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283; 278 REMARK 210 PH : 5.5; 5.5 REMARK 210 IONIC STRENGTH : 100MM; 100MM REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 10MM PHOSPHATE BUFFER NA, 99% REMARK 210 D2O; 10MM PHOSPATE BUFFER NA, 90% REMARK 210 H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : DRX; DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 950 REMARK 210 METHOD USED : SIMULATED ANNEALING MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 HO2' U A 6 O6 G A 9 1.55 REMARK 500 O2 C A 14 H21 G A 21 1.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 A A 2 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 18 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 19 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 21 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 22 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 22 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1K2G A 1 22 PDB 1K2G 1K2G 1 22 SEQRES 1 A 22 C A G A C U U C G G U C G SEQRES 2 A 22 C A G A G A U G G CRYST1 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
Complete list - 23 202 Bytes