Header list of 2bn5.pdb file
Complete list - n 15 2 Bytes
HEADER NUCLEAR PROTEIN 21-MAR-05 2BN5 TITLE P-ELEMENT SOMATIC INHIBITOR PROTEIN COMPLEX WITH U1-70K PROLINE-RICH TITLE 2 PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PSI; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: B BOX, RESIDUES 651-683; COMPND 5 SYNONYM: P-ELEMENT SOMATIC INHIBITOR; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN 70 KDA; COMPND 9 CHAIN: B; COMPND 10 FRAGMENT: PSI BINDING REGION, RESIDUES 405-425; COMPND 11 SYNONYM: U1 SNRNP 70 KDA, SNRNP70, U1-70K PROTEIN; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 ORGANISM_TAXID: 7227; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PGEX; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 13 ORGANISM_COMMON: FRUIT FLY; SOURCE 14 ORGANISM_TAXID: 7227 KEYWDS NUCLEAR PROTEIN, SPLICING, PROTEIN-PROTEIN INTERACTION, PROLINE-RICH KEYWDS 2 PEPTIDE, INHIBITOR, COMPLEX, NUCLEAR PROTEIN-COMPLEX EXPDTA SOLUTION NMR NUMMDL 28 AUTHOR T.IGNJATOVIC,J.-C.YANG,P.J.G.BUTLER,D.NEUHAUS,K.NAGAI REVDAT 4 15-JAN-20 2BN5 1 REMARK REVDAT 3 24-FEB-09 2BN5 1 VERSN REVDAT 2 20-DEC-06 2BN5 1 JRNL REVDAT 1 06-JUL-05 2BN5 0 JRNL AUTH T.IGNJATOVIC,J.-C.YANG,J.BUTLER,D.NEUHAUS,K.NAGAI JRNL TITL STRUCTURAL BASIS OF THE INTERACTION BETWEEN P-ELEMENT JRNL TITL 2 SOMATIC INHIBITOR AND U1-70K ESSENTIAL FOR THE ALTERNATIVE JRNL TITL 3 SPLICING OF P-ELEMENT TRANSPOSASE. JRNL REF J.MOL.BIOL. V. 351 52 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 15990112 JRNL DOI 10.1016/J.JMB.2005.04.077 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: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL CITATION ABOVE REMARK 4 REMARK 4 2BN5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 21-MAR-05. REMARK 100 THE DEPOSITION ID IS D_1290023405. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 290.0 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100MM NACL, 10MM SODIUM REMARK 210 PHOSPHATE REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : 93% H2O, 7% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY; REMARK 210 2D 1H-15N HSQC; 2D 1H-13C HSQC; REMARK 210 3D HNCA; HNCOCA; CBCACONH; REMARK 210 CBCANH; HBHACONH; HBHANH; HCCH- REMARK 210 COSY; HCCH-TOCSY; 3D 1H- 15N REMARK 210 NOESY-HSQC; 3D 1H-13C NOESY-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE; DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : SIMULATED ANNEAING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 28 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOW NOE ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 15N, 13C DOUBLE- REMARK 210 LABELLED PROTEIN AND UNLABELLED PEPTIDE. DOUBLE-FILTERED 2D REMARK 210 EXPERIMENTS WERE USED TO OBSERVE PEPTIDE RESONANCES SELECTIVELY 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: 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 ALA A 652 77.34 -175.05 REMARK 500 1 SER A 664 22.76 -160.82 REMARK 500 1 LYS A 667 50.86 174.00 REMARK 500 1 ASN A 680 94.68 -49.49 REMARK 500 1 GLN A 682 31.99 -99.81 REMARK 500 1 PRO B 406 105.35 -49.60 REMARK 500 1 PRO B 408 174.52 -52.36 REMARK 500 1 ALA B 409 97.41 -174.90 REMARK 500 1 MET B 413 80.26 -175.00 REMARK 500 1 PHE B 414 75.33 -175.84 REMARK 500 1 SER B 415 -88.04 -101.79 REMARK 500 1 VAL B 416 52.69 -153.24 REMARK 500 1 LEU B 422 31.80 -178.79 REMARK 500 1 ARG B 424 79.16 -174.84 REMARK 500 2 ALA A 652 -76.35 -138.91 REMARK 500 2 ASP A 653 72.04 56.93 REMARK 500 2 SER A 664 18.26 -158.54 REMARK 500 2 LYS A 667 41.01 -168.00 REMARK 500 2 ASN A 680 93.10 -52.67 REMARK 500 2 GLN A 682 33.99 -98.59 REMARK 500 2 ASN B 412 -75.29 -87.90 REMARK 500 2 MET B 413 -59.92 -177.27 REMARK 500 2 PHE B 414 -67.72 68.71 REMARK 500 2 SER B 415 -164.65 55.45 REMARK 500 2 VAL B 416 55.89 -118.90 REMARK 500 2 LEU B 422 37.45 -177.67 REMARK 500 2 ARG B 424 -170.06 60.01 REMARK 500 3 ALA A 652 -69.43 -106.23 REMARK 500 3 ASP A 653 72.22 43.48 REMARK 500 3 SER A 664 18.46 -158.51 REMARK 500 3 LYS A 667 39.24 -175.11 REMARK 500 3 LYS A 681 33.86 -167.98 REMARK 500 3 GLN A 682 34.30 -144.79 REMARK 500 3 ALA B 409 -177.60 60.62 REMARK 500 3 HIS B 410 -47.01 -134.62 REMARK 500 3 ASN B 412 -69.92 -153.86 REMARK 500 3 PHE B 414 -59.32 -156.63 REMARK 500 3 SER B 415 -158.75 53.52 REMARK 500 3 LEU B 422 37.20 -177.09 REMARK 500 4 ALA A 652 40.79 -173.49 REMARK 500 4 SER A 664 19.08 -156.64 REMARK 500 4 LYS A 667 42.38 -162.77 REMARK 500 4 LYS A 681 33.71 -167.18 REMARK 500 4 GLN A 682 32.03 -154.06 REMARK 500 4 PRO B 406 105.76 -50.42 REMARK 500 4 PRO B 407 105.97 -51.05 REMARK 500 4 HIS B 411 31.50 -152.54 REMARK 500 4 ASN B 412 109.84 60.59 REMARK 500 4 SER B 415 -158.54 54.09 REMARK 500 4 PRO B 420 -72.27 -76.68 REMARK 500 REMARK 500 THIS ENTRY HAS 341 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2BN6 RELATED DB: PDB REMARK 900 P-ELEMENT SOMATIC INHIBITOR PROTEIN REMARK 900 RELATED ID: 6690 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUES 651-683 ONLY REMARK 999 RESIDUES 405-425 ONLY DBREF 2BN5 A 651 683 UNP Q7JPS0 Q7JPS0_DROSP 651 683 DBREF 2BN5 B 405 425 UNP P17133 RU17_DROME 405 425 SEQRES 1 A 33 GLY ALA ASP TYR SER ALA GLN TRP ALA GLU TYR TYR ARG SEQRES 2 A 33 SER VAL GLY LYS ILE GLU GLU ALA GLU ALA ILE GLU LYS SEQRES 3 A 33 THR LEU LYS ASN LYS GLN ASN SEQRES 1 B 21 ARG PRO PRO PRO ALA HIS HIS ASN MET PHE SER VAL PRO SEQRES 2 B 21 PRO PRO PRO ILE LEU GLY ARG GLY HELIX 1 1 TYR A 654 GLY A 666 1 13 HELIX 2 2 LYS A 667 LYS A 679 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 - n 15 2 Bytes