Header list of 1me1.pdb file
Complete list - 25 20 Bytes
HEADER RNA 07-AUG-02 1ME1
TITLE CHIMERIC HAIRPIN WITH 2',5'-LINKED RNA LOOP AND RNA STEM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*AP*CP*(U25)P*(U25)P*(C25)P*(5GP)P*GP*UP*CP*C)-
COMPND 3 3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE CHEMISTRY
KEYWDS HAIRPIN, (2',5')-RNA, RNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR A.Y.DENISOV,R.N.HANNOUSH,K.GEHRING,M.J.DAMHA
REVDAT 4 24-AUG-11 1ME1 1 HETATM REMARK VERSN
REVDAT 3 24-FEB-09 1ME1 1 VERSN
REVDAT 2 23-SEP-03 1ME1 1 JRNL
REVDAT 1 19-AUG-03 1ME1 0
JRNL AUTH A.Y.DENISOV,R.N.HANNOUSH,K.GEHRING,M.J.DAMHA
JRNL TITL A NOVEL RNA MOTIF BASED ON THE STRUCTURE OF UNUSUALLY STABLE
JRNL TITL 2 2',5'-LINKED R(UUCG) LOOPS
JRNL REF J.AM.CHEM.SOC. V. 125 11525 2003
JRNL REFN ISSN 0002-7863
JRNL PMID 13129354
JRNL DOI 10.1021/JA036207K
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES WERE REFINED BY NMR-
REMARK 3 RESTRAINED MOLECULAR DYNAMICS (12 PS, 300-1000 K) WITH FINAL
REMARK 3 ENERGY MINIMIZATION
REMARK 4
REMARK 4 1ME1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-AUG-02.
REMARK 100 THE RCSB ID CODE IS RCSB016843.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.5 MM HAIRPIN
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: STRUCTURE WAS DETERMINED USING STANDARD 2D HOMO- AND
REMARK 210 HETERONUCLEAR TECHNIQUES: 2D-NOESY, DQF-COSY, TOCSY, H,C-HMQC, H,
REMARK 210 P-HETCOSY
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 400
REMARK 400 COMPOUND
REMARK 400 NUCLOTIDES 5(U25), 6(U25), 7(C25), 8(5GP)
REMARK 400 HAS A NON-STANDARD 2'-5' LINKAGE.
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 MODELS 1-10
REMARK 470 RES CSSEQI ATOMS
REMARK 470 U5P A 5 O3P
REMARK 470 U5P A 6 O3P
REMARK 470 C5P A 7 O3P
REMARK 470 5GP A 8 O1P
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 H21 G A 1 O2 C A 12 1.56
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. = 4.4 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 A A 3 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 2 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 A A 3 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.8 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. = 4.5 DEGREES
REMARK 500 3 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 3 A A 3 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 3 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 4 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 4 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 5 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 5 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 5 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 5 A A 3 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 5 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 5 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 6 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 6 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 6 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 6 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 6 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 6 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 7 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 7 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 7 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 7 A A 3 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 7 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 7 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 8 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 8 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 8 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 8 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 65 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1ME0 RELATED DB: PDB
REMARK 900 CHIMERIC HAIRPIN WITH 2',5'-LINKED RNA LOOP AND DNA STEM
DBREF 1ME1 A 1 12 PDB 1ME1 1ME1 1 12
SEQRES 1 A 12 G G A C U5P U5P C5P 5GP G U C C
HET U5P A 5 30
HET U5P A 6 30
HET C5P A 7 31
HET 5GP A 8 34
HETNAM U5P URIDINE-5'-MONOPHOSPHATE
HETNAM C5P CYTIDINE-5'-MONOPHOSPHATE
HETNAM 5GP GUANOSINE-5'-MONOPHOSPHATE
FORMUL 1 U5P 2(C9 H13 N2 O9 P)
FORMUL 1 C5P C9 H14 N3 O8 P
FORMUL 1 5GP C10 H14 N5 O8 P
LINK O3' C A 4 P U5P A 5 1555 1555 1.62
LINK O2' U5P A 5 P U5P A 6 1555 1555 1.61
LINK O2' U5P A 6 P C5P A 7 1555 1555 1.61
LINK O2' C5P A 7 P 5GP A 8 1555 1555 1.62
LINK O2' 5GP A 8 P G A 9 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 - 25 20 Bytes