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HEADER RNA BINDING PROTEIN/RNA 02-AUG-99 484D TITLE SOLUTION STRUCTURE OF HIV-1 REV PEPTIDE-RNA APTAMER COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA APTAMER; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: BASIC REV PEPTIDE; COMPND 7 CHAIN: A; COMPND 8 FRAGMENT: RESIDUES 34-50; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 OTHER_DETAILS: SEQUENCE FROM REV PROTEIN OF HUMAN IMMUNODEFICIENCY SOURCE 6 VIRUS TYPE 1 KEYWDS HIV-1 REV PEPTIDE; RNA APTAMER; BOUND PEPTIDE SECONDARY STRUCTURE, KEYWDS 2 PEPTIDE- BINDING RNA, TERTIARY ARCHITECTURES, ADAPTIVE-BINDING, RNA KEYWDS 3 BINDING PROTEIN-RNA COMPLEX EXPDTA SOLUTION NMR NUMMDL 22 AUTHOR X.YE,A.A.GORIN,R.FREDERICK,W.HU,A.MAJUMDAR,W.XU,G.MCLENDON, AUTHOR 2 A.ELLINGTON,D.J.PATEL REVDAT 4 16-MAR-22 484D 1 REMARK REVDAT 3 24-FEB-09 484D 1 VERSN REVDAT 2 01-APR-03 484D 1 JRNL REVDAT 1 14-OCT-99 484D 0 JRNL AUTH X.YE,A.GORIN,R.FREDERICK,W.HU,A.MAJUMDAR,W.XU,G.MCLENDON, JRNL AUTH 2 A.ELLINGTON,D.J.PATEL JRNL TITL RNA ARCHITECTURE DICTATES THE CONFORMATIONS OF A BOUND JRNL TITL 2 PEPTIDE. JRNL REF CHEM.BIOL. V. 6 657 1999 JRNL REFN ISSN 1074-5521 JRNL PMID 10467126 JRNL DOI 10.1016/S1074-5521(99)80117-3 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: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE. REMARK 4 REMARK 4 484D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-AUG-99. REMARK 100 THE DEPOSITION ID IS D_1000001281. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 297 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O, D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE BELOW REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DIHEDRAL ANGLE MD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 22 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: 2D NOESY (H2O AND D2O), 2D DQ-COSY, 2D TOCSY, 2D 1H-15N REMARK 210 HSQC (H2O), 2D 1H-13C HSQC(D2O), 2D 15N-EDITED HMQC-NOESY (H2O), REMARK 210 3D HCCH-COSY (D2O), 3D HCCH-TOCSY ( D2O) AND 3D 13C-EDITED NOESY- REMARK 210 HMQC (D2O) 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, 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 H3 U B 3 H61 A B 25 1.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 1 U B 3 N1 U B 3 C2 0.057 REMARK 500 1 U B 5 N1 U B 5 C2 0.061 REMARK 500 1 U B 5 C2 U B 5 N3 0.046 REMARK 500 1 U B 7 N1 U B 7 C2 0.055 REMARK 500 1 U B 7 C2 U B 7 N3 0.047 REMARK 500 1 U B 8 N1 U B 8 C2 0.059 REMARK 500 1 U B 8 C2 U B 8 N3 0.044 REMARK 500 1 A B 11 N9 A B 11 C4 0.036 REMARK 500 1 U B 13 N1 U B 13 C2 0.056 REMARK 500 1 U B 13 C2 U B 13 N3 0.051 REMARK 500 1 U B 16 N1 U B 16 C2 0.059 REMARK 500 1 U B 16 C2 U B 16 N3 0.045 REMARK 500 1 A B 18 N9 A B 18 C4 0.044 REMARK 500 1 U B 19 N1 U B 19 C2 0.062 REMARK 500 1 U B 19 C2 U B 19 N3 0.048 REMARK 500 1 A B 23 N9 A B 23 C4 0.040 REMARK 500 2 U B 3 N1 U B 3 C2 0.063 REMARK 500 2 U B 5 N1 U B 5 C2 0.067 REMARK 500 2 U B 5 C2 U B 5 N3 0.046 REMARK 500 2 U B 8 N1 U B 8 C2 0.058 REMARK 500 2 U B 8 C2 U B 8 N3 0.048 REMARK 500 2 A B 11 N9 A B 11 C4 0.041 REMARK 500 2 U B 13 N1 U B 13 C2 0.054 REMARK 500 2 U B 13 C2 U B 13 N3 0.047 REMARK 500 2 U B 16 N1 U B 16 C2 0.056 REMARK 500 2 A B 18 N9 A B 18 C4 0.041 REMARK 500 2 U B 19 N1 U B 19 C2 0.068 REMARK 500 2 U B 19 C2 U B 19 N3 0.052 REMARK 500 2 A B 25 N9 A B 25 C4 0.040 REMARK 500 3 U B 3 N1 U B 3 C2 0.059 REMARK 500 3 U B 3 C2 U B 3 N3 0.043 REMARK 500 3 U B 5 N1 U B 5 C2 0.063 REMARK 500 3 U B 7 N1 U B 7 C2 0.058 REMARK 500 3 U B 7 C2 U B 7 N3 0.046 REMARK 500 3 U B 8 N1 U B 8 C2 0.059 REMARK 500 3 U B 8 C2 U B 8 N3 0.050 REMARK 500 3 A B 11 N9 A B 11 C4 0.042 REMARK 500 3 U B 13 N1 U B 13 C2 0.056 REMARK 500 3 U B 13 C2 U B 13 N3 0.047 REMARK 500 3 U B 16 N1 U B 16 C2 0.058 REMARK 500 3 A B 18 N9 A B 18 C4 0.041 REMARK 500 3 U B 19 N1 U B 19 C2 0.067 REMARK 500 3 U B 19 C2 U B 19 N3 0.051 REMARK 500 3 A B 23 N9 A B 23 C4 0.039 REMARK 500 3 A B 25 N9 A B 25 C4 0.038 REMARK 500 4 U B 3 N1 U B 3 C2 0.063 REMARK 500 4 U B 3 C2 U B 3 N3 0.045 REMARK 500 4 U B 5 N1 U B 5 C2 0.063 REMARK 500 4 U B 5 C2 U B 5 N3 0.046 REMARK 500 4 U B 7 N1 U B 7 C2 0.055 REMARK 500 REMARK 500 THIS ENTRY HAS 365 BOND DEVIATIONS. 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 B 1 N3 - C2 - N2 ANGL. DEV. = 6.8 DEGREES REMARK 500 1 G B 2 N3 - C2 - N2 ANGL. DEV. = 7.0 DEGREES REMARK 500 1 G B 4 N1 - C2 - N3 ANGL. DEV. = -3.7 DEGREES REMARK 500 1 G B 4 N3 - C2 - N2 ANGL. DEV. = 7.3 DEGREES REMARK 500 1 U B 5 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 C B 6 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 1 C B 6 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES REMARK 500 1 U B 8 C3' - O3' - P ANGL. DEV. = 15.1 DEGREES REMARK 500 1 G B 9 N3 - C2 - N2 ANGL. DEV. = 6.5 DEGREES REMARK 500 1 G B 10 N3 - C2 - N2 ANGL. DEV. = 7.1 DEGREES REMARK 500 1 A B 11 N1 - C6 - N6 ANGL. DEV. = 5.7 DEGREES REMARK 500 1 G B 12 N3 - C2 - N2 ANGL. DEV. = 8.0 DEGREES REMARK 500 1 G B 12 N1 - C6 - O6 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G B 12 C5 - C6 - O6 ANGL. DEV. = -4.2 DEGREES REMARK 500 1 U B 13 C3' - O3' - P ANGL. DEV. = 9.8 DEGREES REMARK 500 1 G B 14 N1 - C2 - N3 ANGL. DEV. = -3.7 DEGREES REMARK 500 1 G B 14 N3 - C2 - N2 ANGL. DEV. = 6.6 DEGREES REMARK 500 1 G B 14 N1 - C6 - O6 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 C B 15 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 U B 16 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 1 G B 17 N3 - C2 - N2 ANGL. DEV. = 6.8 DEGREES REMARK 500 1 G B 17 N1 - C6 - O6 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A B 18 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 A B 18 N1 - C6 - N6 ANGL. DEV. = 6.4 DEGREES REMARK 500 1 U B 19 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 C B 20 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 G B 21 N3 - C2 - N2 ANGL. DEV. = 7.7 DEGREES REMARK 500 1 G B 22 N3 - C2 - N2 ANGL. DEV. = 7.8 DEGREES REMARK 500 1 A B 23 N1 - C6 - N6 ANGL. DEV. = 7.3 DEGREES REMARK 500 1 C B 24 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 C B 24 N3 - C4 - N4 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 C B 26 N1 - C2 - O2 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 C B 27 N1 - C2 - O2 ANGL. DEV. = 3.9 DEGREES REMARK 500 1 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 1 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 1 ARG A 41 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 1 ARG A 42 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 1 ARG A 46 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 2 G B 1 N1 - C2 - N3 ANGL. DEV. = -3.6 DEGREES REMARK 500 2 G B 1 N3 - C2 - N2 ANGL. DEV. = 6.6 DEGREES REMARK 500 2 G B 2 N3 - C2 - N2 ANGL. DEV. = 6.8 DEGREES REMARK 500 2 U B 3 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 2 G B 4 N3 - C2 - N2 ANGL. DEV. = 6.7 DEGREES REMARK 500 2 U B 5 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 2 C B 6 O4' - C1' - N1 ANGL. DEV. = 5.5 DEGREES REMARK 500 2 C B 6 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES REMARK 500 2 G B 9 N3 - C2 - N2 ANGL. DEV. = 6.9 DEGREES REMARK 500 2 G B 9 N1 - C6 - O6 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G B 9 C5 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 2 G B 10 N3 - C2 - N2 ANGL. DEV. = 6.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 809 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 GLN A 36 -66.19 -101.32 REMARK 500 1 ARG A 42 -113.55 -74.08 REMARK 500 1 ARG A 44 119.64 -163.06 REMARK 500 1 ARG A 48 70.57 12.93 REMARK 500 2 ASN A 40 116.32 -175.43 REMARK 500 2 ARG A 42 -88.21 -79.98 REMARK 500 2 ARG A 44 115.00 175.20 REMARK 500 2 ARG A 48 71.70 14.97 REMARK 500 2 GLN A 49 110.35 108.33 REMARK 500 3 ARG A 35 63.42 -115.99 REMARK 500 3 ARG A 41 -76.82 -86.48 REMARK 500 3 ARG A 48 77.43 19.49 REMARK 500 3 GLN A 49 115.09 95.46 REMARK 500 4 ALA A 37 -70.94 -115.15 REMARK 500 4 ASN A 40 -66.55 -158.19 REMARK 500 4 ARG A 41 136.05 74.98 REMARK 500 4 ARG A 48 75.74 13.77 REMARK 500 4 GLN A 49 98.22 49.56 REMARK 500 5 ARG A 38 54.97 80.02 REMARK 500 5 ARG A 39 -67.72 -93.16 REMARK 500 5 ARG A 48 70.96 3.19 REMARK 500 5 GLN A 49 107.18 73.68 REMARK 500 6 GLN A 36 139.34 -175.73 REMARK 500 6 ALA A 37 162.40 72.71 REMARK 500 6 ARG A 38 -74.54 77.58 REMARK 500 6 ARG A 42 -116.04 -74.19 REMARK 500 6 ARG A 48 71.60 8.05 REMARK 500 6 GLN A 49 79.85 -116.35 REMARK 500 7 GLN A 36 -61.60 -97.03 REMARK 500 7 ALA A 37 -95.97 -162.91 REMARK 500 7 ARG A 38 -93.96 44.59 REMARK 500 7 ARG A 41 -125.21 81.84 REMARK 500 7 ARG A 48 77.30 32.15 REMARK 500 7 GLN A 49 4.25 -64.45 REMARK 500 8 GLN A 36 -65.53 74.88 REMARK 500 8 ALA A 37 -107.16 97.40 REMARK 500 8 ARG A 42 -103.78 -68.52 REMARK 500 8 ARG A 44 114.69 -161.32 REMARK 500 8 ARG A 48 70.62 31.51 REMARK 500 8 GLN A 49 102.23 90.85 REMARK 500 9 GLN A 36 82.99 50.95 REMARK 500 9 ARG A 39 -79.43 -79.42 REMARK 500 9 ARG A 41 -80.51 -66.57 REMARK 500 9 ARG A 48 67.97 19.13 REMARK 500 9 GLN A 49 103.46 79.72 REMARK 500 10 GLN A 36 -49.08 79.34 REMARK 500 10 ALA A 37 -99.00 -70.22 REMARK 500 10 ARG A 42 52.78 -145.50 REMARK 500 10 ARG A 44 140.29 -171.79 REMARK 500 10 ARG A 48 74.57 17.57 REMARK 500 REMARK 500 THIS ENTRY HAS 113 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 ARG A 44 0.10 SIDE CHAIN REMARK 500 9 ARG A 41 0.09 SIDE CHAIN REMARK 500 14 ARG A 38 0.08 SIDE CHAIN REMARK 500 16 ARG A 39 0.13 SIDE CHAIN REMARK 500 20 ARG A 46 0.10 SIDE CHAIN REMARK 500 21 ARG A 43 0.10 SIDE CHAIN REMARK 500 21 ARG A 46 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 484D A 34 50 UNP Q9IQN3 Q9IQN3_9HIV1 8 24 DBREF 484D B 1 27 PDB 484D 484D 1 27 SEQRES 1 B 27 G G U G U C U U G G A G U SEQRES 2 B 27 G C U G A U C G G A C A C SEQRES 3 B 27 C SEQRES 1 A 17 THR ARG GLN ALA ARG ARG ASN ARG ARG ARG ARG TRP ARG SEQRES 2 A 17 GLU ARG GLN ARG 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
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