Header list of 1q75.pdb file
Complete list - 2 20 Bytes
HEADER RNA 15-AUG-03 1Q75
TITLE SOLUTION STRUCTURE OF THE DYSKERATOSIS CONGENITA MUTANT P2B HAIRPIN
TITLE 2 FROM HUMAN TELOMERASE RNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DKC MUTANT P2B TELOMERASE RNA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE RNA WAS CHEMICALLY SYNTHESIZED USING IN VITRO
SOURCE 4 TRANSCRIPTION WITH T7 RNA POLYMERASE AND A PARTIALLY DOUBLE-STRANDED
SOURCE 5 DNA TEMPLATE. THE SEQUENCE OF THE RNA IS NATURALLY FOUND IN HOMO
SOURCE 6 SAPIENS (HUMAN) WHO HAVE A CERTAIN TYPE OF AUTOSOMAL DOMINANT
SOURCE 7 DYSKERATOSIS CONGENITA.
KEYWDS TETRALOOP, PENTALOOP, UUCG, YNMG, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.A.THEIMER,L.D.FINGER,J.FEIGON
REVDAT 3 02-MAR-22 1Q75 1 REMARK
REVDAT 2 24-FEB-09 1Q75 1 VERSN
REVDAT 1 23-DEC-03 1Q75 0
JRNL AUTH C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL TITL YNMG TETRALOOP FORMATION BY A DYSKERATOSIS CONGENITA
JRNL TITL 2 MUTATION IN HUMAN TELOMERASE RNA.
JRNL REF RNA V. 9 1446 2003
JRNL REFN ISSN 1355-8382
JRNL PMID 14624001
JRNL DOI 10.1261/RNA.5152303
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
REMARK 1 TITL MUTATIONS LINKED TO DYSKERATOSIS CONGENITA CAUSE CHANGES IN
REMARK 1 TITL 2 THE STRUCTURAL EQUILIBRIUM IN TELOMERASE RNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 100 449 2003
REMARK 1 REFN ISSN 0027-8424
REMARK 1 DOI 10.1073/PNAS.242720799
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.851
REMARK 3 AUTHORS : BRUKER (XWINNMR), NIH (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON 283 NOE-DERIVED
REMARK 3 DISTANCE CONSTRAINTS, 86 DIHEDRAL ANGLE RESTRAINTS, 16 DISTANCE
REMARK 3 RESTRAINTS FROM HYDROGEN BONDS, AND 14 H-C RESIDUAL DIPOLAR
REMARK 3 COUPLINGS.
REMARK 4
REMARK 4 1Q75 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-AUG-03.
REMARK 100 THE DEPOSITION ID IS D_1000020000.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283; 283; 293; 293
REMARK 210 PH : 6.3; 6.3; 6.3; 6.3
REMARK 210 IONIC STRENGTH : 200MM KCL; 200MM KCL; 200MM KCL;
REMARK 210 200MM KCL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT;
REMARK 210 AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM UNLABELED RNA, 10MM SODIUM
REMARK 210 PHOSPHATE BUFFER, PH 6.3, 200MM
REMARK 210 KCL, 50UM EDTA, 0.2% SODIUM
REMARK 210 AZIDE, 95% H2O,5% D2O; 1MM 13C,
REMARK 210 15N-LABELED RNA, 10MM SODIUM
REMARK 210 PHOSPHATE BUFFER, PH 6.3, 200MM
REMARK 210 KCL, 50UM EDTA, 0.2% SODIUM
REMARK 210 AZIDE, 95% H2O,5% D2O; 1MM
REMARK 210 UNLABELED RNA, 10MM SODIUM
REMARK 210 PHOSPHATE BUFFER, PH 6.3, 200MM
REMARK 210 KCL, 50UM EDTA, 0.2% SODIUM
REMARK 210 AZIDE, 100% D2O; 1MM 13C,15N-
REMARK 210 LABELED RNA, 10MM SODIUM
REMARK 210 PHOSPHATE BUFFER, PH 6.3, 200MM
REMARK 210 KCL, 50UM EDTA, 0.2% SODIUM
REMARK 210 AZIDE, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY (1,1ECHO AND
REMARK 210 WATERGATE); 2D 15N-HMQC, 2D 15N-
REMARK 210 CPMG-NOESY, 2D JNN-HNN-COSY; 2D
REMARK 210 NOESY, 2D TOCSY; 31P-SPIN ECHO
REMARK 210 DIFFERENCE CT HSQC; 3D 13C-NOESY
REMARK 210 HMQC, 2D 13C-HMQC,2D HCCH COSY,
REMARK 210 3D HCCH TOCSY; CT-CE-HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, AURELIA 3.108, X
REMARK 210 -PLOR 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: CT-CE-HSQC WAS USED FOR DETERMINING RESIDUAL DIPOLAR
REMARK 210 COUPLINGS
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' C A 5 H5' U A 6 1.53
REMARK 500 O2' C A 14 H5' C A 15 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 1 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.6 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. = -2.6 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 3 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 4 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 4 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 G A 13 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 13 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 5 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 5 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 240 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1NA2 RELATED DB: PDB
REMARK 900 THE WILDTYPE P2B HAIRPIN FROM HUMAN TELOMERASE RNA
DBREF 1Q75 A 1 15 PDB 1Q75 1Q75 1 15
SEQRES 1 A 15 G G C U C U C A G U G A G
SEQRES 2 A 15 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
MODEL 1
Complete list - 2 20 Bytes