Header list of 1ei0.pdb file
Complete list - 16 202 Bytes
HEADER CELL CYCLE 23-FEB-00 1EI0
TITLE NMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: P8MTCP1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ALPHA-HELICAL HAIRPIN MOTIF OF P8MTCP1;
COMPND 5 SYNONYM: MATURE T-CELL PROLIFERATION-1 TYPE A;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE SEQUENCE IS FOUND NATURALLY IN HOMO SAPIENS
SOURCE 4 (HUMANS).
KEYWDS HELIX-TURN-HELIX, DISULFIDE BRIDGES, CELL CYCLE
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND
REVDAT 3 16-FEB-22 1EI0 1 REMARK
REVDAT 2 24-FEB-09 1EI0 1 VERSN
REVDAT 1 23-FEB-01 1EI0 0
JRNL AUTH P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND
JRNL TITL SYNTHESIS AND NMR SOLUTION STRUCTURE OF AN ALPHA-HELICAL
JRNL TITL 2 HAIRPIN STAPLED WITH TWO DISULFIDE BRIDGES.
JRNL REF PROTEIN SCI. V. 9 942 2000
JRNL REFN ISSN 0961-8368
JRNL PMID 10850804
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : UXNMR 94, AMBER 4.1
REMARK 3 AUTHORS : BRUKER (UXNMR), PEARLMAN (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 322 RESTRAINTS, 285 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 29
REMARK 3 DIHEDRAL ANGLE RESTRAINTS, NO DISTANCE RESTRAINTS FROM HYDROGEN
REMARK 3 BONDS.
REMARK 4
REMARK 4 1EI0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-FEB-00.
REMARK 100 THE DEPOSITION ID IS D_1000010592.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM ALPHA2-P8
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GIFA 4.2, DIANA 2.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY, MOLECULAR
REMARK 210 DYNAMICS
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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: 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 PRO A 2 -80.85 -50.47
REMARK 500 CYS A 3 25.88 -147.08
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1HP8 RELATED DB: PDB
REMARK 900 AVERAGE NMR STRUCTURE OF P8MTCP1
REMARK 900 RELATED ID: 2HP8 RELATED DB: PDB
REMARK 900 30 BEST NMR STRUCTURES OF P8MTCP1
DBREF 1EI0 A 1 38 UNP P56277 MTCPA_HUMAN 5 42
SEQADV 1EI0 ALA A 8 UNP P56277 CYS 12 SEE REMARK 999
SEQADV 1EI0 LEU A 20 UNP P56277 MET 24 SEE REMARK 999
SEQADV 1EI0 LYS A 32 UNP P56277 ARG 36 SEE REMARK 999
SEQADV 1EI0 ALA A 35 UNP P56277 CYS 39 SEE REMARK 999
SEQRES 1 A 38 ASP PRO CYS GLN LYS GLN ALA ALA GLU ILE GLN LYS CYS
SEQRES 2 A 38 LEU GLN ALA ASN SER TYR LEU GLU SER LYS CYS GLN ALA
SEQRES 3 A 38 VAL ILE GLN GLU LEU LYS LYS CYS ALA ALA GLN TYR
HELIX 1 1 CYS A 3 ASN A 17 1 15
HELIX 2 2 LEU A 20 LYS A 23 5 4
HELIX 3 3 CYS A 24 TYR A 38 1 15
SSBOND 1 CYS A 3 CYS A 34 1555 1555 2.03
SSBOND 2 CYS A 13 CYS A 24 1555 1555 2.03
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 - 16 202 Bytes