Header list of 1jru.pdb file
Complete list - 23 20 Bytes
HEADER UNKNOWN FUNCTION 15-AUG-01 1JRU TITLE NMR STRUCTURE OF THE UBX DOMAIN FROM P47 (ENERGY MINIMISED AVERAGE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: P47 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (RESIDUES 282-370); COMPND 5 SYNONYM: XY40 PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPRO-EX HTB KEYWDS UBIQUITIN SUPERFOLD, UBX, UNUSUAL N-TERMINAL FEATURE, UNKNOWN KEYWDS 2 FUNCTION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR X.M.YUAN,A.SHAW,X.D.ZHANG,H.KONDO,J.LALLY,P.S.FREEMONT,S.J.MATTHEWS REVDAT 4 23-FEB-22 1JRU 1 REMARK REVDAT 3 24-FEB-09 1JRU 1 VERSN REVDAT 2 01-APR-03 1JRU 1 JRNL REVDAT 1 17-AUG-01 1JRU 0 JRNL AUTH X.YUAN,A.SHAW,X.ZHANG,H.KONDO,J.LALLY,P.S.FREEMONT, JRNL AUTH 2 S.MATTHEWS JRNL TITL SOLUTION STRUCTURE AND INTERACTION SURFACE OF THE C-TERMINAL JRNL TITL 2 DOMAIN FROM P47: A MAJOR P97-COFACTOR INVOLVED IN SNARE JRNL TITL 3 DISASSEMBLY. JRNL REF J.MOL.BIOL. V. 311 255 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11478859 JRNL DOI 10.1006/JMBI.2001.4864 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.KONDO,C.RABOUILLE,R.NEWMAN,T.P.LEVINE,D.PAPPIN, REMARK 1 AUTH 2 P.S.FREEMONT,G.WARREN REMARK 1 TITL P47 IS A COFACTOR FOR P97-MEDIATED MEMBRANE FUSION REMARK 1 REF NATURE V. 388 75 1997 REMARK 1 REFN ISSN 0028-0836 REMARK 1 DOI 10.1038/40411 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AURELIA 2.1.5, X-PLOR 3.853 REMARK 3 AUTHORS : BRUKER (AURELIA), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JRU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB. REMARK 100 THE DEPOSITION ID IS D_1000014115. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 302 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1MM 13C, 15N-LABELLED P47 C REMARK 210 -TERMINAL DOMAIN SAMPLE IN 20 MM REMARK 210 NAAC, PH5.2 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCA; HN(CO)CA; HNCACB; REMARK 210 CBCA(CO)NH; HBHA(CBCACO)NH; 3D_ REMARK 210 15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, XWINNMR, NMRVIEW 3.1.1, REMARK 210 X-PLOR 3.853 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY 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 H LEU A 302 O GLY A 306 1.43 REMARK 500 O SER A 284 H SER A 286 1.51 REMARK 500 H ASN A 297 O ALA A 363 1.54 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 SER A 285 -59.14 61.49 REMARK 500 SER A 286 34.51 -81.34 REMARK 500 ILE A 287 99.73 -69.22 REMARK 500 ALA A 328 54.69 -107.42 REMARK 500 ALA A 333 -49.33 -20.01 REMARK 500 ALA A 334 59.59 -142.24 REMARK 500 LEU A 348 157.56 -34.51 REMARK 500 ALA A 349 104.99 -167.37 REMARK 500 ASP A 350 -152.01 -112.98 REMARK 500 GLU A 351 -70.30 -161.94 REMARK 500 ASN A 352 -27.46 173.67 REMARK 500 GLN A 353 -144.55 -88.30 REMARK 500 LEU A 361 93.34 -47.45 REMARK 500 ALA A 363 -56.64 71.06 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 ARG A 301 0.31 SIDE CHAIN REMARK 500 ARG A 307 0.24 SIDE CHAIN REMARK 500 ARG A 317 0.22 SIDE CHAIN REMARK 500 ARG A 322 0.25 SIDE CHAIN REMARK 500 ARG A 368 0.17 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1I42 RELATED DB: PDB REMARK 900 CONTAINS THE NMR STRUCTURE FAMILY OF THE SAME PROTEIN DBREF 1JRU A 282 370 UNP O35987 NSF1C_RAT 282 370 SEQRES 1 A 89 LYS ALA SER SER SER ILE LEU ILE ASN GLU ALA GLU PRO SEQRES 2 A 89 THR THR ASN ILE GLN ILE ARG LEU ALA ASP GLY GLY ARG SEQRES 3 A 89 LEU VAL GLN LYS PHE ASN HIS SER HIS ARG ILE SER ASP SEQRES 4 A 89 ILE ARG LEU PHE ILE VAL ASP ALA ARG PRO ALA MET ALA SEQRES 5 A 89 ALA THR SER PHE VAL LEU MET THR THR PHE PRO ASN LYS SEQRES 6 A 89 GLU LEU ALA ASP GLU ASN GLN THR LEU LYS GLU ALA ASN SEQRES 7 A 89 LEU LEU ASN ALA VAL ILE VAL GLN ARG LEU THR HELIX 1 1 ILE A 318 ALA A 328 1 11 HELIX 2 2 ALA A 331 THR A 335 5 5 HELIX 3 3 LEU A 355 ASN A 359 5 5 SHEET 1 A 4 GLY A 306 PHE A 312 0 SHEET 2 A 4 THR A 296 LEU A 302 -1 N LEU A 302 O GLY A 306 SHEET 3 A 4 VAL A 364 LEU A 369 1 O GLN A 367 N GLN A 299 SHEET 4 A 4 PHE A 337 MET A 340 -1 N MET A 340 O VAL A 366 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