Header list of 1hfg.pdb file
Complete list - 25 20 Bytes
HEADER CHEMOKINE 01-DEC-00 1HFG TITLE NMR SOLUTION STRUCTURE OF VMIP-II 1-71 FROM TITLE 2 KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS (MINIMIZED TITLE 3 AVERAGE STRUCTURE). COMPND MOL_ID: 1; COMPND 2 MOLECULE: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-71; COMPND 5 SYNONYM: VMIP-II, VMIP-1B SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 8; SOURCE 4 ORGANISM_TAXID: 37296 KEYWDS CHEMOKINE, CXCR4, ANATAGONIST, VMIP-II EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.P.CRUMP,E.ELISSEEVA,J.-H.GONG,I.CLARK-LEWIS,B.D.SYKES REVDAT 5 21-JUL-09 1HFG 1 REVDAT REVDAT 4 24-FEB-09 1HFG 1 VERSN REVDAT 3 19-FEB-01 1HFG 1 JRNL REVDAT 2 11-JAN-01 1HFG 1 TITLE REMARK ATOM REVDAT 1 07-JAN-01 1HFG 0 JRNL AUTH M.P.CRUMP,E.ELISSEEVA,J.-H.GONG,I.CLARK-LEWIS, JRNL AUTH 2 B.D.SYKES JRNL TITL STRUCTURE/FUNCTION OF HUMAN HERPESVIRUS-8 MIP-II JRNL TITL 2 (1-71) AND THE ANTAGONIST N-TERMINAL SEGMENT JRNL TITL 3 (1-10) JRNL REF FEBS LETT. V. 489 171 2001 JRNL REFN ISSN 0014-5793 JRNL PMID 11165244 JRNL DOI 10.1016/S0014-5793(00)02393-0 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: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JOURNAL CITATION. REMARK 4 REMARK 4 1HFG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-DEC-00. REMARK 100 THE PDBE ID CODE IS EBI-5619. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, TOCSY, NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 REMARK 210 SPECTROMETER MODEL : VARIAN UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 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: SEE PAPER FOR FURTHER EXPERIMENTAL DETAILS. 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 PRO A 8 - H LYS A 10 1.56 REMARK 500 O LEU A 62 - H LEU A 66 1.54 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 ASP A 9 61.37 -66.50 REMARK 500 CYS A 12 120.68 -38.06 REMARK 500 LYS A 17 -16.58 87.42 REMARK 500 SER A 26 -71.79 -115.48 REMARK 500 SER A 27 -158.91 -147.62 REMARK 500 LEU A 34 46.61 -88.07 REMARK 500 LYS A 37 71.99 -170.05 REMARK 500 LYS A 56 -169.23 -52.42 REMARK 500 PRO A 67 -91.59 -80.01 REMARK 500 VAL A 68 144.30 172.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HFF RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURES OF THE VMIP-II 1-10 PEPTIDE FROM REMARK 900 KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS. REMARK 900 (RESIDUES 1-10 55 STRUCTURES) REMARK 900 RELATED ID: 1CM9 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II REMARK 900 RELATED ID: 1VMP RELATED DB: PDB REMARK 900 STRUCTURE OF THE ANTI-HIV CHEMOKINE VMIP-II DBREF 1HFG A 1 71 UNP Q98157 VMI2_KSHV 24 94 SEQRES 1 A 71 LEU GLY ALA SER TRP HIS ARG PRO ASP LYS CYS CYS LEU SEQRES 2 A 71 GLY TYR GLN LYS ARG PRO LEU PRO GLN VAL LEU LEU SER SEQRES 3 A 71 SER TRP TYR PRO THR SER GLN LEU CYS SER LYS PRO GLY SEQRES 4 A 71 VAL ILE PHE LEU THR LYS ARG GLY ARG GLN VAL CYS ALA SEQRES 5 A 71 ASP LYS SER LYS ASP TRP VAL LYS LYS LEU MET GLN GLN SEQRES 6 A 71 LEU PRO VAL THR ALA ARG HELIX 1 1 ALA A 3 ARG A 7 5 5 HELIX 2 2 ASP A 57 LEU A 66 1 10 SHEET 1 A 3 SER A 27 PRO A 30 0 SHEET 2 A 3 VAL A 40 LEU A 43 -1 N LEU A 43 O SER A 27 SHEET 3 A 3 GLN A 49 ALA A 52 -1 N ALA A 52 O VAL A 40 SSBOND 1 CYS A 11 CYS A 35 1555 1555 2.02 SSBOND 2 CYS A 12 CYS A 51 1555 1555 2.02 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