Header list of 1sjq.pdb file
Complete list - r 2 2 Bytes
HEADER RNA BINDING PROTEIN 04-MAR-04 1SJQ
TITLE NMR STRUCTURE OF RRM1 FROM HUMAN POLYPYRIMIDINE TRACT BINDING PROTEIN
TITLE 2 ISOFORM 1 (PTB1)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: POLYPYRIMIDINE TRACT-BINDING PROTEIN 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RRM1, RESIDUES 54-147;
COMPND 5 SYNONYM: PTB, HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN I, HNRNP I, 57
COMPND 6 KDA RNA-BINDING PROTEIN PPTB-1;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: PTBP1, PTB;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: SG13009 (QIAGEN);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PQE9
KEYWDS BABBAB MOTIF, RNA BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 16
MDLTYP MINIMIZED AVERAGE
AUTHOR P.J.SIMPSON,T.P.MONIE,A.SZENDROI,N.DAVYDOVA,J.K.TYZACK,M.R.CONTE,
AUTHOR 2 C.M.READ,P.D.CARY,D.I.SVERGUN,P.V.KONAREV,M.V.PETOUKHOV,S.CURRY,
AUTHOR 3 S.J.MATTHEWS
REVDAT 3 02-MAR-22 1SJQ 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1SJQ 1 VERSN
REVDAT 1 14-SEP-04 1SJQ 0
JRNL AUTH P.J.SIMPSON,T.P.MONIE,A.SZENDROI,N.DAVYDOVA,J.K.TYZACK,
JRNL AUTH 2 M.R.CONTE,C.M.READ,P.D.CARY,D.I.SVERGUN,P.V.KONAREV,S.CURRY,
JRNL AUTH 3 S.J.MATTHEWS
JRNL TITL STRUCTURE AND RNA INTERACTIONS OF THE N-TERMINAL RRM DOMAINS
JRNL TITL 2 OF PTB
JRNL REF STRUCTURE V. 12 1631 2004
JRNL REFN ISSN 0969-2126
JRNL PMID 15341728
JRNL DOI 10.1016/J.STR.2004.07.008
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, X-PLOR 3.851
REMARK 3 AUTHORS : BRUKER BIOSPIN (XWINNMR), BRUNGER, A.T (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1SJQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAR-04.
REMARK 100 THE DEPOSITION ID IS D_1000021769.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 0.3 M
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM PTB1-1 U-15N,13C, 50 MM NA
REMARK 210 PHOSPHATE BUFFER, 100 MM NACL, 2
REMARK 210 MM NAN3,10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 3.1, AURELIA 2.8.11,
REMARK 210 NMRPIPE 1, NMRVIEW 4.1.3, X-PLOR
REMARK 210 3.851
REMARK 210 METHOD USED : HYBRID DISTANCE
REMARK 210 GEOMETRY/SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 16
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH LOWEST ENERGY
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 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 MODELS 1-16
REMARK 465 RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 ARG A 2
REMARK 465 GLY A 3
REMARK 465 SER A 4
REMARK 465 HIS A 5
REMARK 465 HIS A 6
REMARK 465 HIS A 7
REMARK 465 HIS A 8
REMARK 465 HIS A 9
REMARK 465 HIS A 10
REMARK 465 GLY A 11
REMARK 465 PRO A 100
REMARK 465 ASN A 101
REMARK 465 GLN A 102
REMARK 465 ALA A 103
REMARK 465 ARG A 104
REMARK 465 ALA A 105
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 THR A 44 O GLU A 58 1.50
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 PRO A 15 86.12 -52.04
REMARK 500 1 ILE A 26 110.60 -27.22
REMARK 500 1 ASP A 27 -18.74 146.07
REMARK 500 1 VAL A 28 -167.78 -52.41
REMARK 500 1 ASN A 45 152.31 170.98
REMARK 500 1 LYS A 52 55.88 -107.90
REMARK 500 1 SER A 74 -57.19 -122.25
REMARK 500 1 ARG A 80 23.37 46.58
REMARK 500 1 LYS A 92 -88.63 -38.54
REMARK 500 1 ASP A 97 -91.04 40.77
REMARK 500 1 SER A 98 37.28 -157.83
REMARK 500 2 PRO A 15 -86.03 -65.79
REMARK 500 2 PRO A 25 78.32 -53.32
REMARK 500 2 ILE A 26 118.33 -34.62
REMARK 500 2 ASP A 27 -19.55 149.76
REMARK 500 2 VAL A 28 -155.38 -55.44
REMARK 500 2 ASN A 45 151.72 176.40
REMARK 500 2 ASN A 53 78.73 36.35
REMARK 500 2 ASN A 66 -70.01 -51.82
REMARK 500 2 ARG A 80 16.67 56.88
REMARK 500 2 ASN A 90 31.32 -94.47
REMARK 500 3 VAL A 14 112.07 51.57
REMARK 500 3 PRO A 15 -86.13 -65.35
REMARK 500 3 SER A 16 172.51 167.08
REMARK 500 3 LYS A 23 90.82 43.77
REMARK 500 3 LEU A 24 115.42 -167.66
REMARK 500 3 PRO A 25 73.43 -59.08
REMARK 500 3 ILE A 26 153.42 -30.01
REMARK 500 3 ASP A 27 9.43 87.46
REMARK 500 3 VAL A 28 -149.93 -57.86
REMARK 500 3 ASN A 45 146.95 -176.88
REMARK 500 3 ASN A 53 86.47 68.81
REMARK 500 3 THR A 73 -31.76 -35.54
REMARK 500 3 ARG A 80 -59.51 67.27
REMARK 500 3 ASN A 90 34.35 -96.38
REMARK 500 3 LYS A 92 -72.34 -66.54
REMARK 500 4 ARG A 17 -53.30 -179.53
REMARK 500 4 PRO A 25 80.15 -60.49
REMARK 500 4 ILE A 26 154.61 -32.18
REMARK 500 4 VAL A 28 -165.54 -54.81
REMARK 500 4 ASN A 45 158.47 170.69
REMARK 500 4 LYS A 50 -168.39 -74.30
REMARK 500 4 ASN A 53 77.93 159.97
REMARK 500 4 ARG A 80 -62.12 62.24
REMARK 500 4 PRO A 83 106.01 -55.30
REMARK 500 4 PHE A 88 -173.66 -65.48
REMARK 500 4 HIS A 91 45.11 159.37
REMARK 500 4 ASP A 97 111.60 57.15
REMARK 500 5 SER A 16 63.64 36.17
REMARK 500 5 LYS A 23 31.66 39.32
REMARK 500
REMARK 500 THIS ENTRY HAS 199 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1SJR RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF RRM2 FROM HUMAN POLYPYRIMIDINE TRACT BINDING
REMARK 900 PROTEIN ISOFORM 1 (PTB1)
DBREF 1SJQ A 12 105 UNP P26599 PTBP1_HUMAN 54 147
SEQADV 1SJQ MET A 1 UNP P26599 INITIATING METHIONINE
SEQADV 1SJQ ARG A 2 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ GLY A 3 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ SER A 4 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 5 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 6 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 7 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 8 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 9 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ HIS A 10 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ GLY A 11 UNP P26599 EXPRESSION TAG
SEQADV 1SJQ SER A 12 UNP P26599 ALA 54 CLONING ARTIFACT
SEQRES 1 A 105 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER GLY
SEQRES 2 A 105 VAL PRO SER ARG VAL ILE HIS ILE ARG LYS LEU PRO ILE
SEQRES 3 A 105 ASP VAL THR GLU GLY GLU VAL ILE SER LEU GLY LEU PRO
SEQRES 4 A 105 PHE GLY LYS VAL THR ASN LEU LEU MET LEU LYS GLY LYS
SEQRES 5 A 105 ASN GLN ALA PHE ILE GLU MET ASN THR GLU GLU ALA ALA
SEQRES 6 A 105 ASN THR MET VAL ASN TYR TYR THR SER VAL THR PRO VAL
SEQRES 7 A 105 LEU ARG GLY GLN PRO ILE TYR ILE GLN PHE SER ASN HIS
SEQRES 8 A 105 LYS GLU LEU LYS THR ASP SER SER PRO ASN GLN ALA ARG
SEQRES 9 A 105 ALA
HELIX 1 1 THR A 29 GLY A 41 1 13
HELIX 2 2 THR A 61 THR A 73 1 13
SHEET 1 A 3 VAL A 18 ILE A 21 0
SHEET 2 A 3 GLN A 54 MET A 59 -1 O ILE A 57 N ILE A 19
SHEET 3 A 3 VAL A 43 LEU A 49 -1 N THR A 44 O GLU A 58
SHEET 1 B 2 VAL A 78 LEU A 79 0
SHEET 2 B 2 GLN A 82 PRO A 83 -1 O GLN A 82 N LEU A 79
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 - r 2 2 Bytes