Header list of 1s4z.pdb file
Complete list - t 27 2 Bytes
HEADER GENE REGULATION 19-JAN-04 1S4Z TITLE HP1 CHROMO SHADOW DOMAIN IN COMPLEX WITH PXVXL MOTIF OF CAF-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHROMOBOX PROTEIN HOMOLOG 1; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: CHROMO SHADOW DOMAIN; COMPND 5 SYNONYM: HETEROCHROMATIN PROTEIN 1 HOMOLOG BETA, HP1 BETA, MODIFIER 1 COMPND 6 PROTEIN, M31, HETEROCHROMATIN PROTEIN P25; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: CHROMATIN ASSEMBLY FACTOR 1 SUBUNIT A; COMPND 10 CHAIN: C; COMPND 11 FRAGMENT: CHROMATIN ASSEMBLY FACTOR 1; COMPND 12 SYNONYM: CAF-1 SUBUNIT A, CHROMATIN ASSEMBLY FACTOR I P150 SUBUNIT, COMPND 13 CAF-I 150 KDA SUBUNIT, CAF-IP150; COMPND 14 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 GENE: CBX1, CBX; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET16B; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 12 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 13 ORGANISM_TAXID: 10090; SOURCE 14 GENE: CHAF1A, CAIP150; SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 17 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 18 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX2T KEYWDS GENE REGULATION EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR A.THIRU,D.NIETLISPACH,H.R.MOTT,M.OKUWAKI,D.LYON,P.R.NIELSEN, AUTHOR 2 M.HIRSHBERG,A.VERREAULT,N.V.MURZINA,E.D.LAUE REVDAT 3 27-OCT-21 1S4Z 1 REMARK SEQADV REVDAT 2 24-FEB-09 1S4Z 1 VERSN REVDAT 1 23-MAR-04 1S4Z 0 JRNL AUTH A.THIRU,D.NIETLISPACH,H.R.MOTT,M.OKUWAKI,D.LYON,P.R.NIELSEN, JRNL AUTH 2 M.HIRSHBERG,A.VERREAULT,N.V.MURZINA,E.D.LAUE JRNL TITL STRUCTURAL BASIS OF HP1/PXVXL MOTIF PEPTIDE INTERACTIONS AND JRNL TITL 2 HP1 LOCALISATION TO HETEROCHROMATIN. JRNL REF EMBO J. V. 23 489 2004 JRNL REFN ISSN 0261-4189 JRNL PMID 14765118 JRNL DOI 10.1038/SJ.EMBOJ.7600088 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0, CNS 1.0 REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1S4Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JAN-04. REMARK 100 THE DEPOSITION ID IS D_1000021373. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 298 REMARK 210 PH : 7.5; 7.5 REMARK 210 IONIC STRENGTH : 150MM; 150MM REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 15N-LABELLED AND 13C,15N REMARK 210 LABELLED MATERIAL COMPLEXED WITH REMARK 210 UNLABELLED PEPTIDE; 15N LABELLED REMARK 210 PEPTIDE COMPLEXED WITH REMARK 210 UNLABELLED PROTEIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : CNS/ARIA1.1 REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 14 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 MET A 103 135.07 64.59 REMARK 500 1 GLU A 105 135.30 64.10 REMARK 500 1 PRO A 110 -165.00 -57.19 REMARK 500 1 ARG A 111 -125.78 -91.32 REMARK 500 1 ARG A 121 131.60 -179.27 REMARK 500 1 ILE A 123 30.80 -142.96 REMARK 500 1 SER A 128 -129.29 -80.07 REMARK 500 1 ASP A 142 87.30 -51.93 REMARK 500 1 ALA A 144 118.45 68.54 REMARK 500 1 CYS A 156 84.03 -168.27 REMARK 500 1 ARG A 167 39.36 -79.06 REMARK 500 1 TRP A 170 135.76 68.68 REMARK 500 1 HIS A 171 -112.16 -72.98 REMARK 500 1 SER A 175 43.57 -170.22 REMARK 500 1 MET B 103 134.91 64.86 REMARK 500 1 GLU B 105 135.54 64.60 REMARK 500 1 PRO B 110 -163.45 -58.35 REMARK 500 1 ARG B 111 -131.91 -91.72 REMARK 500 1 ARG B 121 139.27 -177.24 REMARK 500 1 ASP B 142 87.17 -51.35 REMARK 500 1 ALA B 144 119.95 70.36 REMARK 500 1 CYS B 156 83.32 -166.72 REMARK 500 1 ARG B 167 44.31 -82.57 REMARK 500 1 SER C 210 -132.35 -70.63 REMARK 500 1 ALA C 212 47.56 -78.66 REMARK 500 1 LEU C 215 -38.51 -141.18 REMARK 500 1 PHE C 217 -123.27 -153.75 REMARK 500 1 LYS C 220 -133.84 -107.39 REMARK 500 1 GLU C 227 50.35 -107.62 REMARK 500 1 ASP C 228 -123.77 61.66 REMARK 500 1 ILE C 229 -42.66 -140.75 REMARK 500 1 LYS C 233 69.19 -150.92 REMARK 500 1 ALA C 237 48.95 -80.39 REMARK 500 2 GLU A 106 46.59 -79.72 REMARK 500 2 GLU A 108 41.95 -174.27 REMARK 500 2 PRO A 110 -130.29 -62.46 REMARK 500 2 PHE A 113 44.19 -76.86 REMARK 500 2 LEU A 117 -145.02 45.93 REMARK 500 2 ARG A 121 127.24 -179.41 REMARK 500 2 ILE A 123 29.41 -145.48 REMARK 500 2 SER A 128 -125.00 -74.58 REMARK 500 2 SER A 141 -137.37 -178.77 REMARK 500 2 ALA A 144 125.24 60.53 REMARK 500 2 ASP A 145 124.19 -172.50 REMARK 500 2 CYS A 156 72.36 -163.90 REMARK 500 2 ARG A 167 37.12 -92.85 REMARK 500 2 TRP A 170 -165.11 68.45 REMARK 500 2 HIS A 171 149.12 -175.56 REMARK 500 2 GLU B 106 46.37 -79.34 REMARK 500 2 GLU B 108 41.83 -174.51 REMARK 500 REMARK 500 THIS ENTRY HAS 941 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1S4Z A 104 176 UNP P23197 CBX1_HUMAN 104 176 DBREF 1S4Z B 104 176 UNP P23197 CBX1_HUMAN 104 176 DBREF 1S4Z C 210 238 UNP Q9QWF0 CAFA_MOUSE 210 238 SEQADV 1S4Z HIS A 102 UNP P23197 CLONING ARTIFACT SEQADV 1S4Z MET A 103 UNP P23197 CLONING ARTIFACT SEQADV 1S4Z ASP A 176 UNP P23197 GLU 176 ENGINEERED MUTATION SEQADV 1S4Z HIS B 102 UNP P23197 CLONING ARTIFACT SEQADV 1S4Z MET B 103 UNP P23197 CLONING ARTIFACT SEQADV 1S4Z ASP B 176 UNP P23197 GLU 176 ENGINEERED MUTATION SEQADV 1S4Z GLY C 209 UNP Q9QWF0 CLONING ARTIFACT SEQRES 1 A 75 HIS MET LYS GLU GLU SER GLU LYS PRO ARG GLY PHE ALA SEQRES 2 A 75 ARG GLY LEU GLU PRO GLU ARG ILE ILE GLY ALA THR ASP SEQRES 3 A 75 SER SER GLY GLU LEU MET PHE LEU MET LYS TRP LYS ASN SEQRES 4 A 75 SER ASP GLU ALA ASP LEU VAL PRO ALA LYS GLU ALA ASN SEQRES 5 A 75 VAL LYS CYS PRO GLN VAL VAL ILE SER PHE TYR GLU GLU SEQRES 6 A 75 ARG LEU THR TRP HIS SER TYR PRO SER ASP SEQRES 1 B 75 HIS MET LYS GLU GLU SER GLU LYS PRO ARG GLY PHE ALA SEQRES 2 B 75 ARG GLY LEU GLU PRO GLU ARG ILE ILE GLY ALA THR ASP SEQRES 3 B 75 SER SER GLY GLU LEU MET PHE LEU MET LYS TRP LYS ASN SEQRES 4 B 75 SER ASP GLU ALA ASP LEU VAL PRO ALA LYS GLU ALA ASN SEQRES 5 B 75 VAL LYS CYS PRO GLN VAL VAL ILE SER PHE TYR GLU GLU SEQRES 6 B 75 ARG LEU THR TRP HIS SER TYR PRO SER ASP SEQRES 1 C 30 GLY SER LYS ALA GLY ASP LEU LEU PHE ILE GLU LYS VAL SEQRES 2 C 30 PRO VAL VAL VAL LEU GLU ASP ILE LEU ALA THR LYS PRO SEQRES 3 C 30 SER ILE ALA SER HELIX 1 1 ALA A 149 CYS A 156 1 8 HELIX 2 2 CYS A 156 ARG A 167 1 12 HELIX 3 3 PRO B 148 CYS B 156 1 9 HELIX 4 4 CYS B 156 ARG B 167 1 12 SHEET 1 A 2 MET A 133 MET A 136 0 SHEET 2 A 2 ASP A 145 PRO A 148 -1 O ASP A 145 N MET A 136 SHEET 1 B 2 PRO B 119 ILE B 122 0 SHEET 2 B 2 MET B 136 TRP B 138 -1 O LYS B 137 N GLU B 120 SHEET 1 C 2 THR B 126 SER B 128 0 SHEET 2 C 2 GLU B 131 MET B 133 -1 O MET B 133 N THR B 126 SHEET 1 D 2 LEU B 168 TRP B 170 0 SHEET 2 D 2 PRO C 222 VAL C 224 -1 O VAL C 223 N THR B 169 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 27 2 Bytes