Header list of 1i9f.pdb file
Complete list - 23 20 Bytes
HEADER DE-NOVO PROTEIN/RNA 19-MAR-01 1I9F
TITLE STRUCTURAL CHARACTERIZATION OF THE COMPLEX OF THE REV RESPONSE ELEMENT
TITLE 2 RNA WITH A SELECTED PEPTIDE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: REV RESPONSE ELEMENT RNA;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: RRE, HIV-1 RRE RNA;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: 34-MER RNA;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: RSG-1.2 PEPTIDE;
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES;
COMPND 11 OTHER_DETAILS: 19-MER PEPTIDE
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SEQUENCE NATURALLY OCCURS IN HUMAN IMMUNODEFICIENCY
SOURCE 4 VIRUS TYPE 1, STRAIN DH5A;
SOURCE 5 MOL_ID: 2;
SOURCE 6 SYNTHETIC: YES
KEYWDS PEPTIDE-RNA COMPLEX, RNA RECOGNITION, SELECTED PEPTIDE, SOLUTION
KEYWDS 2 STRUCTURE, DE-NOVO PROTEIN-RNA COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 7
AUTHOR Q.ZHANG,K.HARADA,H.S.CHO,A.FRANKEL,D.E.WEMMER
REVDAT 4 23-FEB-22 1I9F 1 REMARK
REVDAT 3 24-FEB-09 1I9F 1 VERSN
REVDAT 2 01-APR-03 1I9F 1 JRNL
REVDAT 1 25-MAY-01 1I9F 0
JRNL AUTH Q.ZHANG,K.HARADA,H.S.CHO,A.D.FRANKEL,D.E.WEMMER
JRNL TITL STRUCTURAL CHARACTERIZATION OF THE COMPLEX OF THE REV
JRNL TITL 2 RESPONSE ELEMENT RNA WITH A SELECTED PEPTIDE.
JRNL REF CHEM.BIOL. V. 8 511 2001
JRNL REFN ISSN 1074-5521
JRNL PMID 11358697
JRNL DOI 10.1016/S1074-5521(01)00027-8
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1I9F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAR-01.
REMARK 100 THE DEPOSITION ID IS D_1000013070.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 20MM SODIUM PHOSPHATE, 100 MM
REMARK 210 SODIUM CHLORIDE
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.6 MM RNA/PEPTIDE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_NOESY; DQF-COSY; HNCA-J
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY, FELIX
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 7
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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
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 O4' - C1' - N9 ANGL. DEV. = 6.0 DEGREES
REMARK 500 1 G A 2 C5' - C4' - O4' ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 G A 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 G A 6 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 7 N3 - C2 - N2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 1 C A 9 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES
REMARK 500 1 G A 13 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 G A 15 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 C A 16 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 19 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES
REMARK 500 1 C A 20 N1 - C2 - O2 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 C A 20 N3 - C2 - O2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 C A 24 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 G A 25 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES
REMARK 500 1 C A 33 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 C A 34 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 ARG B 202 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES
REMARK 500 2 C A 9 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 2 G A 10 O4' - C1' - N9 ANGL. DEV. = 6.0 DEGREES
REMARK 500 2 G A 15 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 2 C A 16 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 19 O4' - C1' - N9 ANGL. DEV. = 6.4 DEGREES
REMARK 500 2 C A 20 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 C A 20 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 23 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 2 G A 31 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 C A 33 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 2 O4' - C1' - N9 ANGL. DEV. = 5.2 DEGREES
REMARK 500 3 U A 3 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 3 C A 4 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES
REMARK 500 3 U A 5 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 3 G A 8 O4' - C1' - N9 ANGL. DEV. = 6.1 DEGREES
REMARK 500 3 C A 9 O4' - C1' - N1 ANGL. DEV. = 8.3 DEGREES
REMARK 500 3 G A 10 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 3 C A 11 O4' - C1' - N1 ANGL. DEV. = 6.3 DEGREES
REMARK 500 3 C A 11 N1 - C2 - O2 ANGL. DEV. = 4.2 DEGREES
REMARK 500 3 A A 12 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 3 G A 13 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES
REMARK 500 3 G A 15 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES
REMARK 500 3 G A 15 N3 - C2 - N2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 3 C A 16 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 19 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 22 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 3 A A 23 C1' - O4' - C4' ANGL. DEV. = -4.5 DEGREES
REMARK 500 3 A A 23 O4' - C1' - N9 ANGL. DEV. = 5.6 DEGREES
REMARK 500 3 C A 24 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 G A 31 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 G A 32 O4' - C1' - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 4 G A 1 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES
REMARK 500 4 G A 2 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 115 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 ARG B 202 76.71 46.15
REMARK 500 1 SER B 204 -121.49 -122.75
REMARK 500 1 PRO B 206 33.55 -77.73
REMARK 500 1 ALA B 216 14.23 -67.15
REMARK 500 3 ARG B 202 79.45 -157.82
REMARK 500 3 SER B 204 36.95 -72.50
REMARK 500 4 ARG B 202 88.26 30.83
REMARK 500 4 SER B 204 60.65 24.85
REMARK 500 5 ARG B 202 63.88 24.72
REMARK 500 5 ALA B 209 12.23 59.04
REMARK 500 5 ALA B 218 50.14 -147.47
REMARK 500 6 ARG B 202 74.88 -156.01
REMARK 500 6 SER B 204 -95.93 -121.13
REMARK 500 6 ARG B 205 70.06 51.35
REMARK 500 6 SER B 207 170.30 -55.35
REMARK 500 7 ARG B 202 104.31 -174.08
REMARK 500 7 SER B 204 53.41 34.64
REMARK 500 7 ALA B 218 81.78 -161.68
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 PRO B 206 SER B 207 5 -121.88
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 G A 1 0.07 SIDE CHAIN
REMARK 500 1 G A 2 0.06 SIDE CHAIN
REMARK 500 1 U A 5 0.11 SIDE CHAIN
REMARK 500 1 G A 6 0.11 SIDE CHAIN
REMARK 500 1 G A 10 0.10 SIDE CHAIN
REMARK 500 1 A A 12 0.06 SIDE CHAIN
REMARK 500 1 C A 14 0.08 SIDE CHAIN
REMARK 500 1 G A 15 0.09 SIDE CHAIN
REMARK 500 1 C A 16 0.07 SIDE CHAIN
REMARK 500 1 G A 19 0.23 SIDE CHAIN
REMARK 500 1 C A 24 0.13 SIDE CHAIN
REMARK 500 1 C A 33 0.09 SIDE CHAIN
REMARK 500 1 ARG B 201 0.10 SIDE CHAIN
REMARK 500 1 ARG B 212 0.09 SIDE CHAIN
REMARK 500 2 G A 2 0.05 SIDE CHAIN
REMARK 500 2 G A 6 0.08 SIDE CHAIN
REMARK 500 2 G A 7 0.07 SIDE CHAIN
REMARK 500 2 G A 8 0.07 SIDE CHAIN
REMARK 500 2 G A 10 0.05 SIDE CHAIN
REMARK 500 2 C A 14 0.07 SIDE CHAIN
REMARK 500 2 G A 15 0.09 SIDE CHAIN
REMARK 500 2 C A 16 0.08 SIDE CHAIN
REMARK 500 2 G A 19 0.17 SIDE CHAIN
REMARK 500 2 G A 22 0.07 SIDE CHAIN
REMARK 500 2 A A 23 0.07 SIDE CHAIN
REMARK 500 2 G A 26 0.10 SIDE CHAIN
REMARK 500 2 A A 30 0.07 SIDE CHAIN
REMARK 500 2 C A 33 0.10 SIDE CHAIN
REMARK 500 2 ARG B 212 0.09 SIDE CHAIN
REMARK 500 3 G A 1 0.09 SIDE CHAIN
REMARK 500 3 G A 2 0.06 SIDE CHAIN
REMARK 500 3 U A 3 0.12 SIDE CHAIN
REMARK 500 3 U A 5 0.09 SIDE CHAIN
REMARK 500 3 G A 8 0.07 SIDE CHAIN
REMARK 500 3 C A 9 0.06 SIDE CHAIN
REMARK 500 3 C A 11 0.08 SIDE CHAIN
REMARK 500 3 A A 12 0.14 SIDE CHAIN
REMARK 500 3 G A 13 0.08 SIDE CHAIN
REMARK 500 3 C A 14 0.06 SIDE CHAIN
REMARK 500 3 G A 15 0.10 SIDE CHAIN
REMARK 500 3 C A 16 0.08 SIDE CHAIN
REMARK 500 3 G A 19 0.12 SIDE CHAIN
REMARK 500 3 C A 20 0.07 SIDE CHAIN
REMARK 500 3 G A 22 0.07 SIDE CHAIN
REMARK 500 3 C A 24 0.11 SIDE CHAIN
REMARK 500 3 G A 25 0.13 SIDE CHAIN
REMARK 500 3 A A 30 0.05 SIDE CHAIN
REMARK 500 3 G A 32 0.07 SIDE CHAIN
REMARK 500 4 G A 1 0.08 SIDE CHAIN
REMARK 500 4 G A 2 0.09 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 110 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1I9F A 1 34 PDB 1I9F 1I9F 1 34
DBREF 1I9F B 201 219 PDB 1I9F 1I9F 201 219
SEQRES 1 A 34 G G U C U G G G C G C A G
SEQRES 2 A 34 C G C A A G C U G A C G G
SEQRES 3 A 34 U A C A G G C C
SEQRES 1 B 19 ARG ARG GLY SER ARG PRO SER GLY ALA GLU ARG ARG ARG
SEQRES 2 B 19 ARG ARG ALA ALA ALA ALA
HELIX 1 1 SER B 207 ALA B 219 1 13
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 - 23 20 Bytes