Header list of 1gxg.pdb file
Complete list - 25 20 Bytes
HEADER INHIBITOR 04-APR-02 1GXG TITLE NON-COGNATE PROTEIN-PROTEIN INTERACTIONS: THE NMR STRUCTURE TITLE 2 OF THE COLICIN E8 INHIBITOR PROTEIN IM8 AND ITS INTERACTION TITLE 3 WITH THE DNASE DOMAIN OF COLICIN E9 COMPND MOL_ID: 1; COMPND 2 MOLECULE: COLICIN E8 IMMUNITY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: IMME8, MICROCIN E8 IMMUNITY PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: IM8 IS THE IMMUNITY PROTEIN OF COLICIN E8 COMPND 7 (DNASE) SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS INHIBITOR, INHIBITOR PROTEIN OF DNASE COLICIN E8, KEYWDS 2 BACTERIOCIN IMMUNITY, PLASMID, EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.S.LE DUFF,H.VIDELER,R.BOETZEL,M.CZISCH,R.JAMES, AUTHOR 2 C.KLEANTHOUS,G.R.MOORE REVDAT 2 24-FEB-09 1GXG 1 VERSN REVDAT 1 01-MAY-02 1GXG 0 SPRSDE 04-APR-02 1GXG 1IMZ JRNL AUTH C.S.LE DUFF,H.VIDELER,R.BOETZEL,M.CZISCH,R.JAMES, JRNL AUTH 2 C.KLEANTHOUS,G.R.MOORE JRNL TITL NON-COGNATE PROTEIN-PROTEIN INTERACTION: THE NMR JRNL TITL 2 STRUCTURE OF THE COLICIN E8 INHIBITOR PROTEIN IM8 JRNL TITL 3 AND ITS INTERACTION WITH THE DNASE DOMAIN OF JRNL TITL 4 COLICIN E9 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPAL REMARK 3 AUTHORS : LUGINBUHL,GUNTERT,BILLETER,WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT USING A RESTRAINT REMARK 3 MOLECULAR DYNAMICS RUN IN VACUO REMARK 4 REMARK 4 1GXG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-APR-02. REMARK 100 THE PDBE ID CODE IS EBI-8628. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 0.05M REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 0.01M DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 15N-EDITED TOCSY-HSQC, REMARK 210 3D 15N-EDITED NOESY-HSQC, REMARK 210 2D 1H-1H TOCSY (80MS), REMARK 210 2D 1H-1H REMARK 210 NOESY(100MS) REMARK 210 SPECTROMETER FIELD STRENGTH : 750 REMARK 210 SPECTROMETER MODEL : UNITY+ REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 300 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : THE 30 LOWEST TARGET REMARK 210 FUNCTION STRUCTURES FROM DYANA REMARK 210 WERE ENERGY MINIMISED IN OPAL; REMARK 210 THE 20 LOWEST ENERGY STRUCTURES REMARK 210 WERE CHOSEN AS THE FINAL REMARK 210 ENSEMBLE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NMR STRUCTURE DETERMINED USING 15-LABELLED IM8 REMARK 210 PROTEIN. THIS ENTRY REPRESENTS THE LOWEST ENERGY STRUCTURE REMARK 210 FROM AN ENSEMBLE OF 20 STRUCTURES (THE ENSEMBLE HAS BEEN REMARK 210 DEPOSITED AS ENTRY 1GXH). 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT 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 PHE A 39 - HG1 THR A 43 1.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 VAL A 42 CA - CB - CG2 ANGL. DEV. = 12.3 DEGREES 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 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 GLU A 2 35.24 -78.79 REMARK 500 LEU A 3 -178.06 -67.13 REMARK 500 LYS A 4 117.42 -36.16 REMARK 500 CYS A 25 72.81 87.34 REMARK 500 ASP A 28 37.86 -148.90 REMARK 500 GLU A 29 -47.44 79.41 REMARK 500 GLU A 44 -0.28 65.53 REMARK 500 PHE A 82 -171.97 -60.88 REMARK 500 LYS A 83 156.84 -38.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 74 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IMY RELATED DB: PDB REMARK 900 COLICIN E8 IMMUNITY PROTEIN IM8, NMR, 20 REMARK 900 STRUCTURES REMARK 900 RELATED ID: 1IMZ RELATED DB: PDB REMARK 900 COLICIN E8 IMMUNITY PROTEIN IM8, NMR, REMARK 900 MINIMIZED AVERAGE STRUCTURE DBREF 1GXG A 1 85 UNP P09881 IMM8_ECOLI 1 85 SEQRES 1 A 85 MET GLU LEU LYS ASN SER ILE SER ASP TYR THR GLU THR SEQRES 2 A 85 GLU PHE LYS LYS ILE ILE GLU ASP ILE ILE ASN CYS GLU SEQRES 3 A 85 GLY ASP GLU LYS LYS GLN ASP ASP ASN LEU GLU HIS PHE SEQRES 4 A 85 ILE SER VAL THR GLU HIS PRO SER GLY SER ASP LEU ILE SEQRES 5 A 85 TYR TYR PRO GLU GLY ASN ASN ASP GLY SER PRO GLU ALA SEQRES 6 A 85 VAL ILE LYS GLU ILE LYS GLU TRP ARG ALA ALA ASN GLY SEQRES 7 A 85 LYS SER GLY PHE LYS GLN GLY HELIX 1 1 THR A 11 CYS A 25 1 15 HELIX 2 2 GLU A 29 VAL A 42 1 14 HELIX 3 3 SER A 49 TYR A 54 1 6 HELIX 4 4 SER A 62 ASN A 77 1 16 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 - 25 20 Bytes