Header list of 1s2f.pdb file
Complete list - 2 202 Bytes
HEADER RNA 08-JAN-04 1S2F
TITLE AVERAGE SOLUTION STRUCTURE OF A PSEUDO-5'-SPLICE SITE FROM THE
TITLE 2 NEGATIVE REGULATOR OF SPLICING OF ROUS SARCOMA VIRUS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*GP*GP*AP*GP*UP*GP*GP*UP*UP*UP*GP*UP*AP*UP*CP*CP
COMPND 3 *UP*UP*CP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: PSEUDO 5'-SPLICE SITE;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: IN VITRO TRANSCRIPTION
KEYWDS NRS, U1 SNRNP BINDING SITE, 5' SPLICE SITE, RNA
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR J.CABELLO-VILLEGAS,K.E.GILES,A.M.SOTO,P.YU,K.L.BEEMON,Y.X.WANG
REVDAT 3 02-MAR-22 1S2F 1 REMARK
REVDAT 2 24-FEB-09 1S2F 1 VERSN
REVDAT 1 31-AUG-04 1S2F 0
JRNL AUTH J.CABELLO-VILLEGAS,K.E.GILES,A.M.SOTO,P.YU,A.MOUGIN,
JRNL AUTH 2 K.L.BEEMON,Y.X.WANG
JRNL TITL SOLUTION STRUCTURE OF THE PSEUDO-5' SPLICE SITE OF A
JRNL TITL 2 RETROVIRAL SPLICING SUPPRESSOR.
JRNL REF RNA V. 10 1388 2004
JRNL REFN ISSN 1355-8382
JRNL PMID 15317975
JRNL DOI 10.1261/RNA.7020804
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XPLOR-NIH XPLOR-NIH-2.0.6
REMARK 3 AUTHORS : C.D. SCHWIETERS, J.J. KUSZEWSKI,N. TJANDRA, AND
REMARK 3 G.M. CLORE
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 100 STRUCTUREWS WERE CALCULATED, THE MINIMIZED AVERAGE FROM THE 15
REMARK 3 LOWEST ENERGY STRUCTURES IS PRESENTED. CONSTRAINTS USED: 423
REMARK 3 DISTANCE, 63 TORSION ANGLE, 117 ORIENTATION (RDC). THE DELPIC
REMARK 3 DATABASE WAS EMPLOYED IN THE REFINEMENT AS FOLLOWS: TORSION ANGLE
REMARK 3 DATABASE ACTIVE FOR ALL RESIDUES, BASE-BASE POSITIONAL DATABASE
REMARK 3 ACTIVE FOR RESIDUES 907-912, 914-916, AND 921-929.
REMARK 3 DELPHIC DATABASE REFERENCE: CLORE, G.M. KUSZEWSKI, J. J. AM. CHEM.
REMARK 3 SOC. 125: 1518-1525
REMARK 4
REMARK 4 1S2F COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JAN-04.
REMARK 100 THE DEPOSITION ID IS D_1000021281.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 25 MM NACL, 10 MM NAPI
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : RNA RESIDUES 907-929 FROM NRS
REMARK 210 (NRS23)
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; HNN-COSY; DQF-
REMARK 210 COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; DRX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 4.1, VNMR 6.1C, NMRVIEW
REMARK 210 5.0.4
REMARK 210 METHOD USED : SIMULATED ANNEALING. TORSION
REMARK 210 ANGLE DYNAMICS IN REFINEMENT.
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 : 1
REMARK 210
REMARK 210 REMARK: EXCHANGEABLE PROTON SPECTRA COLLECTED AT 15 CELSIUS
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 O2' U A 917 H5' U A 918 1.48
REMARK 500 OP1 U A 920 H5' A A 921 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 G A 919 N7 G A 919 C8 -0.040
REMARK 500 G A 919 C8 G A 919 N9 -0.054
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 G A 907 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 907 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 G A 908 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 908 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 G A 909 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 909 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 G A 910 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 910 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 A A 911 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 G A 912 C3' - C2' - C1' ANGL. DEV. = 6.4 DEGREES
REMARK 500 G A 912 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 G A 912 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 G A 914 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 914 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 G A 915 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 915 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 U A 917 O4' - C4' - C3' ANGL. DEV. = 7.7 DEGREES
REMARK 500 U A 917 C4' - C3' - C2' ANGL. DEV. = -8.0 DEGREES
REMARK 500 U A 917 C3' - C2' - C1' ANGL. DEV. = 9.9 DEGREES
REMARK 500 U A 917 O4' - C1' - N1 ANGL. DEV. = 8.4 DEGREES
REMARK 500 U A 918 C4' - C3' - O3' ANGL. DEV. = -14.0 DEGREES
REMARK 500 U A 918 C2' - C3' - O3' ANGL. DEV. = 16.4 DEGREES
REMARK 500 U A 918 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 U A 918 C3' - O3' - P ANGL. DEV. = 8.0 DEGREES
REMARK 500 G A 919 C4' - C3' - O3' ANGL. DEV. = 13.4 DEGREES
REMARK 500 G A 919 C2' - C3' - O3' ANGL. DEV. = -16.5 DEGREES
REMARK 500 G A 919 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 G A 919 C8 - N9 - C4 ANGL. DEV. = -3.6 DEGREES
REMARK 500 U A 920 C5' - C4' - C3' ANGL. DEV. = -9.2 DEGREES
REMARK 500 U A 920 C2' - C3' - O3' ANGL. DEV. = 9.9 DEGREES
REMARK 500 U A 920 C3' - C2' - C1' ANGL. DEV. = 7.4 DEGREES
REMARK 500 A A 921 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 U A 917 0.10 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1S2F A 907 929 PDB 1S2F 1S2F 907 929
SEQRES 1 A 23 G G G G A G U G G U U U G
SEQRES 2 A 23 U A U C C U U C C C
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
Complete list - 2 202 Bytes