Header list of 2g1g.pdb file
Complete list - 9 20 Bytes
HEADER RNA 14-FEB-06 2G1G
TITLE SOLUTION STRUCTURE OF THE ANTICODON LOOP OF S. POMBE TRNAI INCLUDING
TITLE 2 THE NATURALLY OCCURRING N6-THREONYL ADENINE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*AP*CP*GP*GP*GP*CP*UP*CP*AP*UP*(T6A)
COMPND 3 P*AP*CP*CP*CP*GP*U)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: ANTICODONLOOP TRNAI
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: PHOSPHORAMIDATE OLIGONUCLEOTIDE SYNTHESIS; THE
SOURCE 4 SEQUENCE OF THIS RNA CAN BE FOUND NATURALLY IN S. POMBE.
KEYWDS T-RNAI ANTICODONLOOP T6A, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR E.LESCRINIER
REVDAT 3 09-MAR-22 2G1G 1 REMARK LINK
REVDAT 2 24-FEB-09 2G1G 1 VERSN
REVDAT 1 20-JUN-06 2G1G 0
JRNL AUTH E.LESCRINIER,K.NAUWELAERTS,K.ZANIER,K.POESEN,M.SATTLER,
JRNL AUTH 2 P.HERDEWIJN
JRNL TITL THE NATURALLY OCCURRING N6-THREONYL ADENINE IN ANTICODON
JRNL TITL 2 LOOP OF SCHIZOSACCHAROMYCES POMBE TRNAI CAUSES FORMATION OF
JRNL TITL 3 A UNIQUE U-TURN MOTIF
JRNL REF NUCLEIC ACIDS RES. V. 34 2878 2006
JRNL REFN ISSN 0305-1048
JRNL PMID 16738127
JRNL DOI 10.1093/NAR/GKL081
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.1 REV2002.113.19.37, X-PLOR NIH
REMARK 3 AUTHORS : F. DELAGLIO (NMRPIPE), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2G1G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-FEB-06.
REMARK 100 THE DEPOSITION ID IS D_1000036568.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295; 278
REMARK 210 PH : 7.4; 7.4
REMARK 210 IONIC STRENGTH : ...; ...
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.6MM RNA; PH 7.4; 100% D2O;
REMARK 210 0.6MM RNA; PH 7.4; 90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY;
REMARK 210 [1H,13C]HSQC; [1H,31P]HETCOR; 2D-
REMARK 210 WATERGATE-NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; DRX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 95, VNMR 6.1
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 73
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: 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 H42 C A 8 ODB T6A A 11 1.25
REMARK 500 O2 C A 6 HO4 T6A A 11 1.34
REMARK 500 HO2' C A 14 O5' C A 15 1.38
REMARK 500 HO2' U A 10 OP1 T6A A 11 1.55
REMARK 500 HO2' A A 1 O4' C A 2 1.58
REMARK 500 HO2' A A 12 O4' C A 13 1.60
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 A A 1 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 A A 1 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 3 A A 1 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 A A 12 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. = -2.5 DEGREES
REMARK 500 4 A A 1 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 4 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 4 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 4 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 4 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 5 A A 1 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 5 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 5 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 5 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 5 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 5 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 220 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FEQ RELATED DB: PDB
REMARK 900 ANTICODONLOOP OP TRNAUUU INCLUDING THE NATURALLY OCCURRING N6-
REMARK 900 THREONYL ADENINE
DBREF 2G1G A 1 17 PDB 2G1G 2G1G 1 17
SEQRES 1 A 17 A C G G G C U C A U T6A A C
SEQRES 2 A 17 C C G U
MODRES 2G1G T6A A 11 A
HET T6A A 11 49
HETNAM T6A N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)
HETNAM 2 T6A CARBAMOYL]THREONINE-5'-MONOPHOSPHATE
HETSYN T6A N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-
HETSYN 2 T6A MONOPHOSPHATE
FORMUL 1 T6A C15 H21 N6 O11 P
LINK O3' U A 10 P T6A A 11 1555 1555 1.62
LINK O3' T6A A 11 P A A 12 1555 1555 1.62
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 - 9 20 Bytes