Header list of 1nbk.pdb file
Complete list - 23 20 Bytes
HEADER RNA 03-DEC-02 1NBK TITLE THE STRUCTURE OF RNA APTAMER FOR HIV TAT COMPLEXED WITH TWO TITLE 2 ARGININAMIDE MOLECULES COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA APTAMER; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS RNA-LIGANDS COMPLEX, BASE TRIPLE, RNA APTAMER, HIV TAT, RNA EXPDTA SOLUTION NMR AUTHOR A.MATSUGAMI,S.KOBAYASHI,K.OUHASHI,S.UESUGI,R.YAMAMOTO,K.TAIRA, AUTHOR 2 S.NISHIKAWA,P.K.R.KUMAR,M.KATAHIRA REVDAT 3 23-FEB-22 1NBK 1 REMARK REVDAT 2 24-FEB-09 1NBK 1 VERSN REVDAT 1 03-DEC-03 1NBK 0 JRNL AUTH A.MATSUGAMI,S.KOBAYASHI,K.OUHASHI,S.UESUGI,R.YAMAMOTO, JRNL AUTH 2 K.TAIRA,S.NISHIKAWA,P.K.R.KUMAR,M.KATAHIRA JRNL TITL STRUCTURAL BASIS OF THE HIGHLY EFFICIENT TRAPPING OF THE HIV JRNL TITL 2 TAT PROTEIN BY AN RNA APTAMER JRNL REF STRUCTURE V. 11 533 2003 JRNL REFN ISSN 0969-2126 JRNL PMID 12737819 JRNL DOI 10.1016/S0969-2126(03)00069-8 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851, X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NBK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-DEC-02. REMARK 100 THE DEPOSITION ID IS D_1000017743. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 308 REMARK 210 PH : 6.7; 6.7 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1.7MM RNA U-15N,13C; 6.8MM REMARK 210 ARGININAMIDE; 10MM SODIUM REMARK 210 PHOSPHATE BUFFER; 30MM NACL; REMARK 210 0.1MM EDTA; 1.7MM RNA U-15N,13C; REMARK 210 6.8MM ARGININAMIDE; 10MM SODIUM REMARK 210 PHOSPHATE BUFFER; 30MM NACL; REMARK 210 0.1MM EDTA; 1.7MM RNA; 6.8MM REMARK 210 ARGININAMIDE; 10MM SODIUM REMARK 210 PHOSPHATE BUFFER; 30MM NACL; REMARK 210 0.1MM EDTA; 1.7MM RNA; 6.8MM REMARK 210 ARGININAMIDE; 10MM SODIUM REMARK 210 PHOSPHATE BUFFER; 30MM NACL; REMARK 210 0.1MM EDTA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; 2D NOESY; 2D REMARK 210 TOCSY; DQF-COSY; 1H-31P HETCOR; REMARK 210 SPIN ECHO DIFFERENCE CT 1H-13C REMARK 210 HSQC; HNN-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING 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: NULL 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 H21 G A 16 OP2 A A 19 1.39 REMARK 500 O6 G A 2 H41 C A 33 1.42 REMARK 500 N7 G A 25 HH22 GND A 36 1.47 REMARK 500 H41 C A 12 O6 G A 25 1.48 REMARK 500 H41 C A 6 O6 G A 29 1.48 REMARK 500 O6 G A 9 H41 C A 28 1.51 REMARK 500 O6 G A 15 H41 C A 20 1.51 REMARK 500 H41 C A 13 O6 G A 22 1.53 REMARK 500 O2' A A 26 H5' U A 27 1.57 REMARK 500 O6 G A 3 H41 C A 32 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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 A A 4 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 9 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 G A 9 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 A A 10 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 16 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 16 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 A A 17 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 19 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 G A 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 21 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 22 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 22 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 25 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 25 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 26 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 29 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 29 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GND A 35 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GND A 36 DBREF 1NBK A 1 34 PDB 1NBK 1NBK 1 34 SEQRES 1 A 34 G G G A G C U U G A U C C SEQRES 2 A 34 C G G A A A C G G U C G A SEQRES 3 A 34 U C G C U C C C HET GND A 35 27 HET GND A 36 27 HETNAM GND 2-AMINO-5-GUANIDINO-PENTANOIC ACID FORMUL 2 GND 2(C6 H15 N4 O2 1+) SITE 1 AC1 6 C A 6 U A 7 G A 9 U A 27 SITE 2 AC1 6 C A 28 G A 29 SITE 1 AC2 7 U A 7 A A 10 U A 11 C A 12 SITE 2 AC2 7 G A 22 U A 23 G A 25 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 - 23 20 Bytes