Header list of 1k1v.pdb file
Complete list - b 23 2 Bytes
HEADER DNA BINDING PROTEIN 25-SEP-01 1K1V TITLE SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF MAFG COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAFG; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 24-64; COMPND 5 SYNONYM: TRANSCRIPTION FACTOR MAFG; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS MAF, TRANSCRIPTION FACTOR, DNA-BINDING DOMAIN, DNA BINDING PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR H.KUSUNOKI,H.MOTOHASHI,F.KATSUOKA,A.MOROHASHI,M.YAMAMOTO,T.TANAKA REVDAT 4 23-FEB-22 1K1V 1 REMARK REVDAT 3 24-FEB-09 1K1V 1 VERSN REVDAT 2 18-DEC-02 1K1V 1 REMARK REVDAT 1 10-APR-02 1K1V 0 JRNL AUTH H.KUSUNOKI,H.MOTOHASHI,F.KATSUOKA,A.MOROHASHI,M.YAMAMOTO, JRNL AUTH 2 T.TANAKA JRNL TITL SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF MAFG. JRNL REF NAT.STRUCT.BIOL. V. 9 252 2002 JRNL REFN ISSN 1072-8368 JRNL PMID 11875518 JRNL DOI 10.1038/NSB771 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, A.T. (X-PLOR), BRUNGER, A.T. (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF REMARK 3 843 RESTRAINTS: 817 NOE-DERIVED DISTANCE RESTRAINTS AND 26 REMARK 3 DIHEDRAL ANGLE RESTRAINTS. REMARK 4 REMARK 4 1K1V COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-OCT-01. REMARK 100 THE DEPOSITION ID IS D_1000014455. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5-2.0MM MAFG(1-76); 20MM REMARK 210 SODIUM PHOSPHATE, 10MM REMARK 210 DITHIOTHREITOL-D10; 90% H2O, 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY; HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : UNITY INOVA; AVANCE DRX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; 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 : 50 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C/15N OR 15N LABELED MAFG(1-76). 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 O LEU A 41 H LEU A 44 1.57 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 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 2 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 3 HIS A 40 CG HIS A 40 ND1 -0.123 REMARK 500 4 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 5 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 6 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 7 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 8 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 9 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 10 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 11 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 12 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 13 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 14 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 15 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 16 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 17 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 18 HIS A 40 CG HIS A 40 ND1 -0.120 REMARK 500 19 HIS A 40 CG HIS A 40 ND1 -0.121 REMARK 500 20 HIS A 40 CG HIS A 40 ND1 -0.120 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 A 42 95.62 -45.96 REMARK 500 1 SER A 45 165.01 -47.87 REMARK 500 1 GLN A 54 -64.51 -102.56 REMARK 500 1 ARG A 62 176.53 -53.37 REMARK 500 2 THR A 25 178.18 -59.27 REMARK 500 2 SER A 33 -96.16 -47.51 REMARK 500 2 VAL A 34 -30.96 -138.04 REMARK 500 2 ARG A 42 86.13 -58.61 REMARK 500 2 LYS A 53 -6.46 -56.50 REMARK 500 2 GLN A 54 -71.65 -72.02 REMARK 500 2 ARG A 62 171.72 -51.17 REMARK 500 3 SER A 33 -145.16 -63.87 REMARK 500 3 ARG A 42 84.37 -59.46 REMARK 500 3 GLN A 54 -75.09 -88.09 REMARK 500 3 ARG A 62 176.59 -52.72 REMARK 500 4 THR A 25 179.87 -55.81 REMARK 500 4 SER A 33 162.78 -46.99 REMARK 500 4 LEU A 41 -12.14 -47.13 REMARK 500 4 ARG A 42 31.81 -70.86 REMARK 500 4 GLN A 54 -69.80 -98.88 REMARK 500 4 LYS A 60 -17.97 -49.14 REMARK 500 4 ARG A 62 -169.64 -62.45 REMARK 500 5 THR A 25 -178.40 -63.64 REMARK 500 5 SER A 33 -92.78 -46.65 REMARK 500 5 VAL A 34 -30.40 -145.89 REMARK 500 5 ARG A 42 -0.27 -55.51 REMARK 500 5 ARG A 62 178.61 -59.51 REMARK 500 6 SER A 33 164.62 -47.64 REMARK 500 6 ARG A 42 27.96 -69.28 REMARK 500 6 GLN A 54 -68.64 -93.04 REMARK 500 6 ASN A 61 -62.02 -90.13 REMARK 500 6 ARG A 62 176.96 -52.40 REMARK 500 7 THR A 25 171.31 -52.21 REMARK 500 7 SER A 33 171.20 -51.04 REMARK 500 7 ARG A 42 77.89 -62.85 REMARK 500 7 GLN A 54 -85.18 -76.03 REMARK 500 7 ARG A 62 169.50 -48.81 REMARK 500 8 SER A 33 -95.52 -49.23 REMARK 500 8 VAL A 34 -27.49 -147.06 REMARK 500 8 ARG A 42 76.68 -64.20 REMARK 500 8 GLN A 54 -77.07 -96.89 REMARK 500 8 ARG A 62 -160.90 -62.83 REMARK 500 9 THR A 25 -175.03 -57.73 REMARK 500 9 SER A 33 178.47 -54.15 REMARK 500 9 ARG A 42 90.10 -51.21 REMARK 500 9 ARG A 62 -175.86 -57.07 REMARK 500 10 LEU A 29 -29.77 -39.68 REMARK 500 10 SER A 33 154.59 -41.34 REMARK 500 10 VAL A 34 -38.29 -39.87 REMARK 500 10 ARG A 42 27.70 -69.90 REMARK 500 REMARK 500 THIS ENTRY HAS 99 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 35 0.29 SIDE CHAIN REMARK 500 1 ARG A 55 0.31 SIDE CHAIN REMARK 500 1 ARG A 56 0.32 SIDE CHAIN REMARK 500 1 ARG A 57 0.32 SIDE CHAIN REMARK 500 1 ARG A 62 0.14 SIDE CHAIN REMARK 500 2 ARG A 35 0.22 SIDE CHAIN REMARK 500 2 ARG A 42 0.17 SIDE CHAIN REMARK 500 2 ARG A 55 0.31 SIDE CHAIN REMARK 500 2 ARG A 57 0.32 SIDE CHAIN REMARK 500 2 ARG A 62 0.32 SIDE CHAIN REMARK 500 3 ARG A 35 0.29 SIDE CHAIN REMARK 500 3 ARG A 55 0.21 SIDE CHAIN REMARK 500 3 ARG A 56 0.28 SIDE CHAIN REMARK 500 3 ARG A 57 0.10 SIDE CHAIN REMARK 500 3 ARG A 62 0.32 SIDE CHAIN REMARK 500 4 ARG A 35 0.30 SIDE CHAIN REMARK 500 4 ARG A 42 0.19 SIDE CHAIN REMARK 500 4 ARG A 55 0.09 SIDE CHAIN REMARK 500 4 ARG A 56 0.16 SIDE CHAIN REMARK 500 4 ARG A 57 0.32 SIDE CHAIN REMARK 500 4 ARG A 62 0.29 SIDE CHAIN REMARK 500 5 ARG A 35 0.20 SIDE CHAIN REMARK 500 5 ARG A 42 0.12 SIDE CHAIN REMARK 500 5 ARG A 55 0.28 SIDE CHAIN REMARK 500 5 ARG A 56 0.28 SIDE CHAIN REMARK 500 5 ARG A 57 0.31 SIDE CHAIN REMARK 500 5 ARG A 62 0.18 SIDE CHAIN REMARK 500 6 ARG A 35 0.32 SIDE CHAIN REMARK 500 6 ARG A 42 0.24 SIDE CHAIN REMARK 500 6 ARG A 56 0.22 SIDE CHAIN REMARK 500 6 ARG A 57 0.29 SIDE CHAIN REMARK 500 6 ARG A 62 0.31 SIDE CHAIN REMARK 500 7 ARG A 35 0.20 SIDE CHAIN REMARK 500 7 ARG A 42 0.25 SIDE CHAIN REMARK 500 7 ARG A 55 0.24 SIDE CHAIN REMARK 500 7 ARG A 56 0.27 SIDE CHAIN REMARK 500 7 ARG A 57 0.32 SIDE CHAIN REMARK 500 7 ARG A 62 0.20 SIDE CHAIN REMARK 500 8 ARG A 35 0.21 SIDE CHAIN REMARK 500 8 ARG A 42 0.32 SIDE CHAIN REMARK 500 8 ARG A 55 0.16 SIDE CHAIN REMARK 500 8 ARG A 56 0.28 SIDE CHAIN REMARK 500 8 ARG A 62 0.32 SIDE CHAIN REMARK 500 9 ARG A 35 0.21 SIDE CHAIN REMARK 500 9 ARG A 42 0.27 SIDE CHAIN REMARK 500 9 ARG A 55 0.31 SIDE CHAIN REMARK 500 9 ARG A 56 0.16 SIDE CHAIN REMARK 500 9 ARG A 62 0.09 SIDE CHAIN REMARK 500 10 ARG A 35 0.23 SIDE CHAIN REMARK 500 10 ARG A 42 0.08 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 109 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1K1V A 24 64 UNP O54790 MAFG_MOUSE 24 64 SEQRES 1 A 41 LEU THR ASP GLU GLU LEU VAL THR MET SER VAL ARG GLU SEQRES 2 A 41 LEU ASN GLN HIS LEU ARG GLY LEU SER LYS GLU GLU ILE SEQRES 3 A 41 ILE GLN LEU LYS GLN ARG ARG ARG THR LEU LYS ASN ARG SEQRES 4 A 41 GLY TYR HELIX 1 1 ASP A 26 THR A 31 1 6 HELIX 2 2 VAL A 34 LEU A 41 1 8 HELIX 3 3 LYS A 46 ASN A 61 1 16 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 - b 23 2 Bytes