Header list of 1z23.pdb file
Complete list - t 20 2 Bytes
HEADER CELL ADHESION 07-MAR-05 1Z23 TITLE THE SERINE-RICH DOMAIN FROM CRK-ASSOCIATED SUBSTRATE (P130CAS) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CRK-ASSOCIATED SUBSTRATE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SERINE-RICH DOMAIN, SRR-B, RESIDUES 546-708; COMPND 5 SYNONYM: P130CAS, BREAST CANCER ANTI-ESTROGEN RESISTANCE 1 PROTEIN; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: 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) KEYWDS FOUR-HELIX BUNDLE, CELL ADHESION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR K.BRIKNAROVA,F.NASERTORABI,M.L.HAVERT,E.EGGLESTON,D.W.HOYT,C.LI, AUTHOR 2 A.J.OLSON,K.VUORI,K.R.ELY REVDAT 4 20-OCT-21 1Z23 1 REMARK SEQADV REVDAT 3 24-FEB-09 1Z23 1 VERSN REVDAT 2 02-AUG-05 1Z23 1 JRNL REVDAT 1 05-APR-05 1Z23 0 JRNL AUTH K.BRIKNAROVA,F.NASERTORABI,M.L.HAVERT,E.EGGLESTON,D.W.HOYT, JRNL AUTH 2 C.LI,A.J.OLSON,K.VUORI,K.R.ELY JRNL TITL THE SERINE-RICH DOMAIN FROM CRK-ASSOCIATED SUBSTRATE JRNL TITL 2 (P130CAS) IS A FOUR-HELIX BUNDLE. JRNL REF J.BIOL.CHEM. V. 280 21908 2005 JRNL REFN ISSN 0021-9258 JRNL PMID 15795225 JRNL DOI 10.1074/JBC.M501258200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.GARCIA-GUZMAN,F.DOLFI,M.RUSSELLO,K.VUORI REMARK 1 TITL CELL ADHESION REGULATES THE INTERACTIONS BETWEEN THE DOCKING REMARK 1 TITL 2 PROTEIN P130(CAS) AND THE 14-3-3 PROTEINS REMARK 1 REF J.BIOL.CHEM. V. 274 5762 1999 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : FELIX 2000, XPLOR-NIH 2.9.4A REMARK 3 AUTHORS : ACCELRYS, INC., SAN DIEGO, CA (FELIX), REMARK 3 C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE REMARK 3 (XPLOR-NIH) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE CALCULATION EMPLOYED A TOTAL OF REMARK 3 1562 UNAMBIGUOUS DISTANCE RESTRAINTS (166 LONG RANGE, 245 MEDIUM REMARK 3 RANGE, 346 SEQUENTIAL AND 805 INTRARESIDUAL), 6 AMBIGUOUS LONG- REMARK 3 RANGE DISTANCE RESTRAINTS, 176 HYDROGEN BOND RESTRAINTS, 107 PHI REMARK 3 AND 107 PSI DIHEDRAL ANGLE RESTRAINTS, AND 79 RESIDUAL DIPOLAR REMARK 3 COUPLING RESTRAINTS. REMARK 4 REMARK 4 1Z23 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAR-05. REMARK 100 THE DEPOSITION ID IS D_1000032200. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.9 REMARK 210 IONIC STRENGTH : 0.1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.8MM PROTEIN U-15N, 20MM TRIS U REMARK 210 -2H, PH 7.9, 100MM NACL, 5MM REMARK 210 BETA-MERCAPTOETHANOL, 1MM 4-(2- REMARK 210 AMINOETHYL)BENZENE FLUORIDE REMARK 210 (AEBSF), 90% H2O, 10% D2O;; REMARK 210 1.8MM PROTEIN U-13C, U-15N, 20MM REMARK 210 TRIS U-2H, PH 7.9, 100MM NACL, REMARK 210 5MM BETA-MERCAPTOETHANOL, 1MM 4- REMARK 210 (2-AMINOETHYL)BENZENE FLUORIDE REMARK 210 (AEBSF), 90% H2O, 10% D2O; 1.8MM REMARK 210 PROTEIN U-13C, U-15N, ~60% 2H, REMARK 210 20MM TRIS U-2H, PH 7.9, 100MM REMARK 210 NACL, 5MM BETA-MERCAPTOETHANOL, REMARK 210 1MM 4-(2-AMINOETHYL)BENZENE REMARK 210 FLUORIDE (AEBSF), 90% H2O, 10% REMARK 210 D2O; 1.8MM PROTEIN U-15N, ~60% REMARK 210 2H, 20MM TRIS U-2H, PH 7.9, REMARK 210 100MM NACL, 5MM BETA- REMARK 210 MERCAPTOETHANOL, 1MM 4-(2- REMARK 210 AMINOETHYL)BENZENE FLUORIDE REMARK 210 (AEBSF), 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; 4D_13C- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS; INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2000, XPLOR-NIH 2.9.4A REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 99 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: 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: 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 HIS A 636 H SER A 640 1.51 REMARK 500 O HIS A 610 HH TYR A 650 1.52 REMARK 500 O LEU A 653 H GLY A 657 1.52 REMARK 500 O VAL A 654 H GLN A 658 1.52 REMARK 500 O LEU A 635 H LEU A 639 1.58 REMARK 500 O HIS A 610 OH TYR A 650 2.10 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 SER A 547 94.92 48.96 REMARK 500 1 TRP A 588 -62.98 -94.48 REMARK 500 1 SER A 590 58.62 -149.42 REMARK 500 1 THR A 591 -169.19 46.27 REMARK 500 1 GLU A 596 -46.85 176.43 REMARK 500 1 HIS A 629 99.12 176.10 REMARK 500 1 ARG A 633 -28.76 -164.49 REMARK 500 1 PHE A 703 -80.66 -121.07 REMARK 500 1 ARG A 704 -81.78 -173.11 REMARK 500 1 ARG A 705 104.32 57.47 REMARK 500 2 THR A 591 -2.62 61.22 REMARK 500 2 PRO A 594 -77.01 -80.34 REMARK 500 2 THR A 628 178.89 50.98 REMARK 500 2 SER A 631 -163.11 53.46 REMARK 500 2 SER A 662 21.94 45.78 REMARK 500 2 ARG A 664 138.36 60.65 REMARK 500 2 PHE A 703 -74.57 -118.56 REMARK 500 2 ARG A 704 66.69 -63.43 REMARK 500 3 GLU A 593 69.96 -171.21 REMARK 500 3 HIS A 629 -12.80 170.74 REMARK 500 3 THR A 630 -92.94 46.88 REMARK 500 3 SER A 631 -125.73 47.13 REMARK 500 3 ARG A 633 -7.71 65.77 REMARK 500 3 ASP A 661 -104.72 -169.56 REMARK 500 3 THR A 670 149.30 66.70 REMARK 500 3 PHE A 703 -99.07 -122.11 REMARK 500 3 ARG A 704 62.48 -171.87 REMARK 500 4 PRO A 551 165.15 -40.31 REMARK 500 4 SER A 581 17.45 45.55 REMARK 500 4 ALA A 582 102.49 54.37 REMARK 500 4 GLU A 593 71.15 52.14 REMARK 500 4 GLU A 596 -60.58 -159.08 REMARK 500 4 SER A 625 -146.80 51.55 REMARK 500 4 ALA A 627 -13.75 70.07 REMARK 500 4 PHE A 703 -97.54 -104.89 REMARK 500 4 ARG A 704 -101.77 -139.95 REMARK 500 5 ALA A 582 143.44 61.70 REMARK 500 5 ARG A 589 -22.29 -172.11 REMARK 500 5 PHE A 703 -63.54 -128.88 REMARK 500 5 THR A 706 100.31 -166.66 REMARK 500 6 ARG A 549 74.30 46.72 REMARK 500 6 ARG A 589 104.47 55.33 REMARK 500 6 PRO A 594 -178.27 -69.56 REMARK 500 6 GLN A 595 -113.52 -60.00 REMARK 500 6 PRO A 598 95.00 -41.28 REMARK 500 6 ALA A 627 -139.06 -77.43 REMARK 500 6 THR A 628 100.68 53.90 REMARK 500 6 HIS A 629 -8.92 -167.92 REMARK 500 6 SER A 631 22.24 -72.23 REMARK 500 6 ASP A 632 95.91 51.89 REMARK 500 REMARK 500 THIS ENTRY HAS 195 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1Z23 A 546 708 UNP Q63767 BCA1_RAT 546 708 SEQADV 1Z23 GLY A 546 UNP Q63767 VAL 546 ENGINEERED MUTATION SEQADV 1Z23 SER A 547 UNP Q63767 PRO 547 ENGINEERED MUTATION SEQRES 1 A 163 GLY SER GLY ARG GLU PRO LEU GLU LEU GLU VAL ALA VAL SEQRES 2 A 163 GLU THR LEU ALA ARG LEU GLN GLN GLY VAL SER THR THR SEQRES 3 A 163 VAL ALA HIS LEU LEU ASP LEU VAL GLY SER ALA SER GLY SEQRES 4 A 163 PRO GLY GLY TRP ARG SER THR SER GLU PRO GLN GLU PRO SEQRES 5 A 163 PRO VAL GLN ASP LEU LYS ALA ALA VAL ALA ALA VAL HIS SEQRES 6 A 163 GLY ALA VAL HIS GLU LEU LEU GLU PHE ALA ARG SER ALA SEQRES 7 A 163 VAL SER SER ALA THR HIS THR SER ASP ARG THR LEU HIS SEQRES 8 A 163 ALA LYS LEU SER ARG GLN LEU GLN LYS MET GLU ASP VAL SEQRES 9 A 163 TYR GLN THR LEU VAL VAL HIS GLY GLN VAL LEU ASP SER SEQRES 10 A 163 GLY ARG GLY GLY PRO GLY PHE THR LEU ASP ASP LEU ASP SEQRES 11 A 163 ARG LEU VAL ALA CYS SER ARG ALA VAL PRO GLU ASP ALA SEQRES 12 A 163 LYS GLN LEU ALA SER PHE LEU HIS GLY ASN ALA SER LEU SEQRES 13 A 163 LEU PHE ARG ARG THR LYS ALA HELIX 1 1 GLU A 553 ALA A 582 1 30 HELIX 2 2 PRO A 598 SER A 625 1 28 HELIX 3 3 ARG A 633 SER A 662 1 30 HELIX 4 4 THR A 670 PHE A 703 1 34 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 - t 20 2 Bytes