Header list of 1tit.pdb file
Complete list - 2 20 Bytes
HEADER IMMUNOGLOBULIN-LIKE DOMAIN 02-FEB-96 1TIT
TITLE TITIN, IG REPEAT 27, NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TITIN, I27;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: CONNECTIN I27, TITIN IG REPEAT 27;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: SOLUTION STRUCTURE, T=308K, PH 4.5, 10MM ACETATE
COMPND 7 BUFFER
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 CELL_LINE: 293;
SOURCE 6 ORGAN: HEART;
SOURCE 7 TISSUE: MUSCLE;
SOURCE 8 ORGANELLE: SARCOMERE;
SOURCE 9 GENE: TITIN GENE;
SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 11 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 12 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PET8C;
SOURCE 14 EXPRESSION_SYSTEM_GENE: TITIN GENE
KEYWDS MUSCLE PROTEIN, IMMUNOGLOBULIN-LIKE DOMAIN
EXPDTA SOLUTION NMR
AUTHOR S.IMPROTA,A.S.POLITOU,A.PASTORE
REVDAT 3 02-MAR-22 1TIT 1 REMARK
REVDAT 2 24-FEB-09 1TIT 1 VERSN
REVDAT 1 11-JUL-96 1TIT 0
JRNL AUTH S.IMPROTA,A.S.POLITOU,A.PASTORE
JRNL TITL IMMUNOGLOBULIN-LIKE MODULES FROM TITIN I-BAND: EXTENSIBLE
JRNL TITL 2 COMPONENTS OF MUSCLE ELASTICITY.
JRNL REF STRUCTURE V. 4 323 1996
JRNL REFN ISSN 0969-2126
JRNL PMID 8805538
JRNL DOI 10.1016/S0969-2126(96)00036-6
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.PFUHL,A.PASTORE
REMARK 1 TITL TERTIARY STRUCTURE OF AN IMMUNOGLOBULIN-LIKE DOMAIN FROM THE
REMARK 1 TITL 2 GIANT MUSCLE PROTEIN TITIN: A NEW MEMBER OF THE I SET
REMARK 1 REF STRUCTURE V. 3 391 1995
REMARK 1 REFN ISSN 0969-2126
REMARK 1 REFERENCE 2
REMARK 1 AUTH S.LABEIT,B.KOLMERER
REMARK 1 TITL TITINS: GIANT PROTEINS IN CHARGE OF MUSCLE ULTRASTRUCTURE
REMARK 1 TITL 2 AND ELASTICITY
REMARK 1 REF SCIENCE V. 270 293 1995
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TIT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000176706.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
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 : NULL
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 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 RES C SSSEQI
REMARK 465 MET A -8
REMARK 465 HIS A -7
REMARK 465 HIS A -6
REMARK 465 HIS A -5
REMARK 465 HIS A -4
REMARK 465 HIS A -3
REMARK 465 HIS A -2
REMARK 465 SER A -1
REMARK 465 SER A 0
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 HB3 SER A 44 HD2 PRO A 45 1.27
REMARK 500 HA LEU A 65 HG13 VAL A 86 1.27
REMARK 500 HB3 PHE A 21 HZ3 TRP A 34 1.27
REMARK 500 HA2 GLY A 16 HB2 ASN A 62 1.30
REMARK 500 O GLY A 66 H THR A 68 1.40
REMARK 500 O LEU A 8 HD1 TYR A 9 1.41
REMARK 500 O GLY A 53 H LYS A 55 1.42
REMARK 500 O LEU A 65 HG1 THR A 68 1.42
REMARK 500 O GLN A 64 HG12 VAL A 86 1.54
REMARK 500 HD2 LYS A 35 C GLY A 38 1.58
REMARK 500 O LEU A 65 OG1 THR A 68 1.62
REMARK 500 O GLY A 53 N LYS A 55 1.79
REMARK 500 O LEU A 36 N GLY A 38 1.80
REMARK 500 O GLY A 66 N THR A 68 1.89
REMARK 500 O GLN A 64 CG1 VAL A 86 2.15
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 VAL A 15 107.03 22.15
REMARK 500 GLU A 17 -148.36 -59.66
REMARK 500 ILE A 23 119.50 -169.74
REMARK 500 LEU A 25 -146.26 -105.34
REMARK 500 ASP A 29 87.45 65.90
REMARK 500 HIS A 31 94.91 -164.02
REMARK 500 LEU A 36 -162.11 -54.40
REMARK 500 LYS A 37 -28.77 -17.03
REMARK 500 LEU A 41 -129.08 -70.12
REMARK 500 THR A 42 111.99 -167.98
REMARK 500 ALA A 43 109.93 -37.24
REMARK 500 SER A 44 -143.07 -129.60
REMARK 500 LYS A 54 -11.35 -26.50
REMARK 500 ASN A 62 79.91 -14.55
REMARK 500 MET A 67 -0.05 -36.44
REMARK 500 THR A 68 80.20 -65.36
REMARK 500 ALA A 76 -99.95 39.32
REMARK 500 ALA A 81 100.18 -165.30
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1TIU RELATED DB: PDB
DBREF 1TIT A 1 89 UNP Q10466 Q10466_HUMAN 5253 5341
SEQRES 1 A 98 MET HIS HIS HIS HIS HIS HIS SER SER LEU ILE GLU VAL
SEQRES 2 A 98 GLU LYS PRO LEU TYR GLY VAL GLU VAL PHE VAL GLY GLU
SEQRES 3 A 98 THR ALA HIS PHE GLU ILE GLU LEU SER GLU PRO ASP VAL
SEQRES 4 A 98 HIS GLY GLN TRP LYS LEU LYS GLY GLN PRO LEU THR ALA
SEQRES 5 A 98 SER PRO ASP CYS GLU ILE ILE GLU ASP GLY LYS LYS HIS
SEQRES 6 A 98 ILE LEU ILE LEU HIS ASN CYS GLN LEU GLY MET THR GLY
SEQRES 7 A 98 GLU VAL SER PHE GLN ALA ALA ASN ALA LYS SER ALA ALA
SEQRES 8 A 98 ASN LEU LYS VAL LYS GLU LEU
SHEET 1 S1 4 VAL A 4 PRO A 7 0
SHEET 2 S1 4 THR A 18 LEU A 25 -1 N GLU A 24 O LYS A 6
SHEET 3 S1 4 LYS A 55 HIS A 61 -1 O LEU A 60 N ALA A 19
SHEET 4 S1 4 CYS A 47 ASP A 52 -1 N GLU A 48 O ILE A 59
SHEET 1 S2 4 VAL A 11 VAL A 15 0
SHEET 2 S2 4 ALA A 78 GLU A 88 1 N LYS A 85 O VAL A 11
SHEET 3 S2 4 GLY A 69 ALA A 75 -1 O GLY A 69 N LEU A 84
SHEET 4 S2 4 GLY A 32 LEU A 36 -1 N LYS A 35 O SER A 72
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 - 2 20 Bytes