Header list of 2fb7.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-DEC-05 2FB7 TITLE NMR SOLUTION STRUCTURE OF PROTEIN FROM ZEBRA FISH DR.13312 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SM-LIKE PROTEIN, LSM-14_N (RAP55); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; SOURCE 3 ORGANISM_COMMON: ZEBRAFISH; SOURCE 4 ORGANISM_TAXID: 7955; SOURCE 5 GENE: BC055387; SOURCE 6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEU-HIS; SOURCE 9 OTHER_DETAILS: WHEAT GERM CELL-FREE, IN VITRO EXPRESSION KEYWDS DR.13312, BC055387, AAH55387, LSM14_N, RAP55, SM-LIKE PROTEIN, KEYWDS 2 STRONGLY BENT FIVE-STRANDED ANTIPARALLEL BETA-SHEET, STRUCTURAL KEYWDS 3 GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, CENTER FOR EUKARYOTIC KEYWDS 4 STRUCTURAL GENOMICS, CESG, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR R.C.TYLER,J.SONG,J.L.MARKLEY,CENTER FOR EUKARYOTIC STRUCTURAL AUTHOR 2 GENOMICS (CESG) REVDAT 4 09-MAR-22 2FB7 1 REMARK SEQADV REVDAT 3 24-FEB-09 2FB7 1 VERSN REVDAT 2 29-APR-08 2FB7 1 SOURCE REVDAT 1 27-DEC-05 2FB7 0 JRNL AUTH R.C.TYLER,J.SONG,J.L.MARKLEY JRNL TITL NMR SOLUTION STRUCTURE OF PROTEIN FROM ZEBRA FISH DR.13312 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE, REMARK 3 SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON A TOTAL OF 1106 REMARK 3 NOE RESTRAINTS (974 UNAMBIGUOUS, 132 AMBIGUOUS), 40 HBOND REMARK 3 RESTRAINTS, AND 172 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS. REMARK 4 REMARK 4 2FB7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-DEC-05. REMARK 100 THE DEPOSITION ID IS D_1000035674. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 289 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.46 MM PROTEIN, 100 MM NACL, 10 REMARK 210 MM BIS-TRIS, 5 MM DTT, 90% H2O, REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 97.027.12.56., NMRVIEW REMARK 210 5.0.4, ARIA 1.2, CNS 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS, WATER REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : FEWEST VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: ALL TRIPLE-RESONANCE AND NOESY SPECTRA WERE ACQUIRED USING REMARK 210 A CRYOGENIC PROBE. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 MODELS 1-10 REMARK 465 RES C SSSEQI REMARK 465 GLY A 1 REMARK 465 HIS A 2 REMARK 465 HIS A 3 REMARK 465 HIS A 4 REMARK 465 HIS A 5 REMARK 465 HIS A 6 REMARK 465 HIS A 7 REMARK 465 LEU A 8 REMARK 465 GLU A 9 REMARK 465 ASP A 10 REMARK 465 PRO A 11 REMARK 465 SER A 12 REMARK 465 GLY A 13 REMARK 465 GLY A 14 REMARK 465 THR A 15 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 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 4 TYR A 32 CE1 TYR A 32 CZ -0.087 REMARK 500 6 TYR A 17 CE1 TYR A 17 CZ 0.116 REMARK 500 6 TYR A 17 CZ TYR A 17 CE2 -0.107 REMARK 500 7 TYR A 74 CE1 TYR A 74 CZ 0.097 REMARK 500 7 TYR A 74 CZ TYR A 74 CE2 -0.105 REMARK 500 10 TYR A 37 CE1 TYR A 37 CZ -0.097 REMARK 500 10 TYR A 37 CZ TYR A 37 CE2 0.097 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 7 PRO A 60 C - N - CA ANGL. DEV. = 10.2 DEGREES 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 TYR A 17 -148.81 59.58 REMARK 500 1 ILE A 18 -75.63 94.54 REMARK 500 1 THR A 56 133.24 69.27 REMARK 500 1 GLU A 57 -149.53 -86.60 REMARK 500 1 PRO A 60 44.69 -75.80 REMARK 500 1 THR A 61 75.38 51.72 REMARK 500 1 PRO A 67 86.23 -58.63 REMARK 500 1 TYR A 74 150.57 -49.48 REMARK 500 2 ILE A 18 -77.58 -108.84 REMARK 500 2 GLU A 29 30.65 70.46 REMARK 500 2 THR A 56 -100.44 -143.51 REMARK 500 2 GLU A 57 -91.50 56.52 REMARK 500 2 PRO A 60 84.97 -63.72 REMARK 500 2 ASP A 62 -75.55 176.85 REMARK 500 2 ARG A 63 -62.27 -143.26 REMARK 500 2 ARG A 68 89.05 72.26 REMARK 500 2 ASP A 69 -73.79 -132.77 REMARK 500 2 GLU A 70 -167.98 177.51 REMARK 500 2 CYS A 88 119.16 -178.26 REMARK 500 3 ILE A 18 -39.25 -172.96 REMARK 500 3 TYR A 37 -60.56 -99.44 REMARK 500 3 ARG A 52 127.27 -170.02 REMARK 500 3 SER A 53 79.81 -119.35 REMARK 500 3 PHE A 54 98.23 -176.12 REMARK 500 3 THR A 56 -40.12 62.10 REMARK 500 3 PRO A 60 57.36 -105.93 REMARK 500 3 ARG A 68 86.17 54.13 REMARK 500 3 GLU A 70 171.69 74.99 REMARK 500 3 THR A 71 -89.05 -99.43 REMARK 500 3 PHE A 72 -90.92 -169.14 REMARK 500 3 TYR A 74 177.59 72.59 REMARK 500 3 LYS A 92 86.87 60.42 REMARK 500 4 ILE A 18 -37.02 -176.46 REMARK 500 4 PHE A 54 -91.64 -141.38 REMARK 500 4 PRO A 60 35.93 -91.54 REMARK 500 4 THR A 61 -163.25 46.97 REMARK 500 4 ARG A 63 -55.14 -156.15 REMARK 500 4 ARG A 68 -22.95 77.69 REMARK 500 4 TYR A 74 179.80 175.61 REMARK 500 4 ILE A 94 -58.16 -146.47 REMARK 500 5 TYR A 17 -70.24 -154.71 REMARK 500 5 LYS A 27 -3.41 -57.90 REMARK 500 5 THR A 56 -89.90 -175.35 REMARK 500 5 GLU A 57 -90.84 70.61 REMARK 500 5 PRO A 60 86.57 -67.80 REMARK 500 5 THR A 61 -179.01 -57.16 REMARK 500 5 ARG A 63 83.04 88.15 REMARK 500 5 PRO A 64 -178.45 -58.98 REMARK 500 5 PRO A 67 32.93 -81.69 REMARK 500 5 ARG A 68 106.54 72.42 REMARK 500 REMARK 500 THIS ENTRY HAS 130 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: GO.70875 RELATED DB: TARGETDB DBREF 2FB7 A 12 95 UNP Q7SXR4 Q7SXR4_BRARE 2 85 SEQADV 2FB7 GLY A 1 UNP Q7SXR4 CLONING ARTIFACT SEQADV 2FB7 HIS A 2 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 HIS A 3 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 HIS A 4 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 HIS A 5 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 HIS A 6 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 HIS A 7 UNP Q7SXR4 EXPRESSION TAG SEQADV 2FB7 LEU A 8 UNP Q7SXR4 CLONING ARTIFACT SEQADV 2FB7 GLU A 9 UNP Q7SXR4 CLONING ARTIFACT SEQADV 2FB7 ASP A 10 UNP Q7SXR4 CLONING ARTIFACT SEQADV 2FB7 PRO A 11 UNP Q7SXR4 CLONING ARTIFACT SEQRES 1 A 95 GLY HIS HIS HIS HIS HIS HIS LEU GLU ASP PRO SER GLY SEQRES 2 A 95 GLY THR PRO TYR ILE GLY SER LYS ILE SER LEU ILE SER SEQRES 3 A 95 LYS ALA GLU ILE ARG TYR GLU GLY ILE LEU TYR THR ILE SEQRES 4 A 95 ASP THR GLU ASN SER THR VAL ALA LEU ALA LYS VAL ARG SEQRES 5 A 95 SER PHE GLY THR GLU ASP ARG PRO THR ASP ARG PRO ILE SEQRES 6 A 95 ALA PRO ARG ASP GLU THR PHE GLU TYR ILE ILE PHE ARG SEQRES 7 A 95 GLY SER ASP ILE LYS ASP LEU THR VAL CYS GLU PRO PRO SEQRES 8 A 95 LYS PRO ILE MET SHEET 1 A 5 ILE A 75 PHE A 77 0 SHEET 2 A 5 THR A 45 ALA A 49 -1 N VAL A 46 O PHE A 77 SHEET 3 A 5 ILE A 30 ASP A 40 -1 N THR A 38 O ALA A 47 SHEET 4 A 5 SER A 20 SER A 26 -1 N SER A 20 O LEU A 36 SHEET 5 A 5 ILE A 82 VAL A 87 -1 O THR A 86 N SER A 23 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 - r 9 2 Bytes