Header list of 1nz1.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 14-FEB-03 1NZ1
TITLE SOLUTION STRUCTURE OF THE S. CEREVISIAE U6 INTRAMOLECULAR STEM-LOOP
TITLE 2 CONTAINING AN SP PHOSPHOROTHIOATE AT NUCLEOTIDE U80
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SP U6 INTRAMOLECULAR STEM-LOOP RNA;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: SP ISL RNA;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES;
COMPND 7 OTHER_DETAILS: A62G, SP PHOSHPHOROTHIOATE MODIFIED U80
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SYNTHETIC RNA (DHARMACON, INC.) WAS PREPARED
SOURCE 4 CONTAINING AN SP PHOSPHOROTHIOATE MODIFICATION AT NUCLEOTIDE U80.
SOURCE 5 THE SP RNA WAS SEPARATED FROM THE RP RNA DIASTEREOMER USING REVERSE-
SOURCE 6 PHASE HIGH PRESSURE LIQUID CHROMATOGRAPHY.
KEYWDS U6 RNA, STEM-LOOP, PHOSPHOROTHIOATE, SP PHOSPHOROTHIOATE, RESIDUAL
KEYWDS 2 DIPOLAR COUPLING, RDC, RNA
EXPDTA SOLUTION NMR
NUMMDL 17
AUTHOR N.J.REITER,L.J.NIKSTAD,A.M.ALLMAN,R.J.JOHNSON,S.E.BUTCHER
REVDAT 3 23-FEB-22 1NZ1 1 REMARK LINK
REVDAT 2 24-FEB-09 1NZ1 1 VERSN
REVDAT 1 13-MAY-03 1NZ1 0
JRNL AUTH N.J.REITER,L.J.NIKSTAD,A.M.ALLMAN,R.J.JOHNSON,S.E.BUTCHER
JRNL TITL STRUCTURE OF THE U6 RNA INTRAMOLECULAR STEM-LOOP HARBORING
JRNL TITL 2 AN S(P)-PHOSPHOROTHIOATE MODIFICATION.
JRNL REF RNA V. 9 533 2003
JRNL REFN ISSN 1355-8382
JRNL PMID 12702812
JRNL DOI 10.1261/RNA.2199103
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1NZ1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018370.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283; 303; 303
REMARK 210 PH : 7.0; 7.2; 7.0
REMARK 210 IONIC STRENGTH : 50 MM NACL; 50 MM NACL; 50 MM
REMARK 210 NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8-1.2 MM RNA, 50 MM NACL, PH
REMARK 210 7.0; 0.8-1.2 MM RNA, 50 MM NACL,
REMARK 210 PH 7.0, 17 MG/ML PF1 PHAGE; 0.8-
REMARK 210 1.2 MM RNA, 50 MM NACL, PH 7.0
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; HSQC; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ; 500 MHZ; 400
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 98, SPARKY 3, CNS 1.1
REMARK 210 METHOD USED : TORSION ANGLE AND MOLECULAR
REMARK 210 DYNAMICS, SIMULATED ANNEALING,
REMARK 210 RESIDUAL DIPOLAR COUPLING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 15
REMARK 210
REMARK 210 REMARK: SOLUTION STRUCTURE BASED ON 322 NOE DERIVED DISTANCE
REMARK 210 RESTRAINTS, 144 DIHEDRAL ANGLE RESTRAINTS, 25 HYDROGEN BOND
REMARK 210 RESTRAINTS, AND 40 RESIDUAL DIPOLAR COPUPLING RESTRAINTS.
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' C A 11 O4' A A 12 1.53
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 1 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 A A 21 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 A A 21 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 22 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 10 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 A A 15 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 17 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 17 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 310 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LC6 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE U6 INTRAMOLECULAR STEM-LOOP RNA
REMARK 900 RELATED ID: 1NYZ RELATED DB: PDB
REMARK 900 REFINED SOLUTION STRUCTURE OF THE U6 INTRAMOLECULAR STEM-LOOP RNA
REMARK 900 USING RESIDUAL DIPOLAR COUPLINGS (RDCS)
REMARK 900 RELATED ID: 1NC0 RELATED DB: PDB
REMARK 900 U80G U6 INTRAMOLECULAR STEM-LOOP RNA FROM SACCHAROMYCES CEREVISIAE
REMARK 900 RELATED ID: 5703 RELATED DB: BMRB
DBREF 1NZ1 A 1 24 PDB 1NZ1 1NZ1 1 24
SEQRES 1 A 24 G G U U C C C C U G C A U
SEQRES 2 A 24 A A G G A SSU G A A C C
MODRES 1NZ1 SSU A 19 U URIDINE-5'-PHOSPHOROTHIOATE
HET SSU A 19 30
HETNAM SSU URIDINE-5'-PHOSPHOROTHIOATE
HETSYN SSU SP-SULFUR-SUBSTITUTED URIDINE
FORMUL 1 SSU C9 H13 N2 O8 P S
LINK O3' A A 18 P SSU A 19 1555 1555 1.61
LINK O3' SSU A 19 P G A 20 1555 1555 1.61
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 - b 23 2 Bytes