Header list of 2flg.pdb file
Complete list - r 9 2 Bytes
HEADER SURFACE ACTIVE PROTEIN 06-JAN-06 2FLG TITLE SOLUTION STRUCTURE OF AN EGF-LIKE DOMAIN FROM THE PLASMODIUM TITLE 2 FALCIPARUM MEROZOITE SURFACE PROTEIN 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MEROZOITE SURFACE PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL FRAGMENT, RESIDUES 1526-1573; COMPND 5 SYNONYM: MEROZOITE SURFACE ANTIGENS, PMMSA, P195; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN OCCURS NATURALLY IN PLASMODIUM FALCIPARUM KEYWDS EGF-LIKE DOMAIN, EXTRACELLULAR, MODULAR PROTEIN, SURFACE ANTIGEN, KEYWDS 2 MALARIA VACCINE COMPONENT, SURFACE PROTEIN, SURFACE ACTIVE PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR S.JAMES,K.MOEHLE,G.PLUSCHKE,J.ROBINSON REVDAT 4 09-MAR-22 2FLG 1 REMARK LINK REVDAT 3 24-FEB-09 2FLG 1 VERSN REVDAT 2 24-APR-07 2FLG 1 JRNL REVDAT 1 21-FEB-06 2FLG 0 JRNL AUTH S.JAMES,K.MOEHLE,A.RENARD,M.S.MUELLER,D.VOGEL,R.ZURBRIGGEN, JRNL AUTH 2 G.PLUSCHKE,J.A.ROBINSON JRNL TITL SYNTHESIS, SOLUTION STRUCTURE AND IMMUNE RECOGNITION OF AN JRNL TITL 2 EPIDERMAL GROWTH FACTOR-LIKE DOMAIN FROM PLASMODIUM JRNL TITL 3 FALCIPARUM MEROZOITE SURFACE PROTEIN-1. JRNL REF CHEMBIOCHEM V. 7 1943 2006 JRNL REFN ISSN 1439-4227 JRNL PMID 17068840 JRNL DOI 10.1002/CBIC.200600357 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.1 REMARK 3 AUTHORS : P.GUNTERT ET AL. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2FLG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JAN-06. REMARK 100 THE DEPOSITION ID IS D_1000036019. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 0 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.25 MM FIRST N-TERMINAL EGF REMARK 210 -LIKE DOMAIN OF MSP1(19), 90% REMARK 210 H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XEASY 1.53, CYANA 2.1 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS AND LOWEST REMARK 210 TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 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 CYS A 18 166.62 -49.40 REMARK 500 1 PHE A 19 139.44 -173.27 REMARK 500 1 LEU A 31 179.55 -55.66 REMARK 500 1 GLU A 43 87.90 -67.39 REMARK 500 1 ASN A 44 76.34 51.31 REMARK 500 1 ASN A 46 70.91 -119.70 REMARK 500 2 GLN A 11 -75.41 -78.93 REMARK 500 2 CYS A 12 154.75 64.00 REMARK 500 2 CYS A 18 164.35 -48.13 REMARK 500 2 HIS A 21 -179.86 -58.29 REMARK 500 2 LEU A 31 179.67 -55.76 REMARK 500 2 LYS A 35 91.18 -65.26 REMARK 500 2 ASP A 39 51.82 -118.49 REMARK 500 2 GLU A 43 82.81 -69.58 REMARK 500 2 ASN A 44 75.14 50.38 REMARK 500 3 HIS A 5 171.02 -55.00 REMARK 500 3 GLN A 11 -75.71 -77.73 REMARK 500 3 CYS A 12 154.94 63.77 REMARK 500 3 CYS A 18 165.47 -48.73 REMARK 500 3 PHE A 19 138.95 -172.96 REMARK 500 3 ASP A 23 34.82 -98.96 REMARK 500 3 LEU A 31 179.90 -55.84 REMARK 500 3 GLN A 36 105.86 -49.97 REMARK 500 3 GLU A 43 88.42 -66.90 REMARK 500 3 ASN A 44 76.93 51.86 REMARK 500 3 ASN A 46 73.02 -114.05 REMARK 500 4 GLN A 11 -71.67 -95.25 REMARK 500 4 CYS A 12 154.63 64.25 REMARK 500 4 CYS A 18 165.11 -48.72 REMARK 500 4 PHE A 19 141.19 -173.38 REMARK 500 4 LEU A 31 179.61 -55.74 REMARK 500 4 ASN A 44 74.56 49.11 REMARK 500 5 HIS A 5 170.16 -54.54 REMARK 500 5 GLN A 11 -76.16 -94.35 REMARK 500 5 CYS A 12 154.77 63.84 REMARK 500 5 CYS A 18 164.67 -48.50 REMARK 500 5 PHE A 19 141.94 -172.70 REMARK 500 5 HIS A 21 -179.69 -69.47 REMARK 500 5 ASP A 23 30.40 -95.94 REMARK 500 5 LEU A 31 -179.93 -55.91 REMARK 500 5 LYS A 35 94.17 -63.92 REMARK 500 5 GLU A 43 84.04 -69.47 REMARK 500 5 ASN A 44 70.93 50.59 REMARK 500 6 GLN A 6 -176.34 -62.16 REMARK 500 6 CYS A 18 166.08 -49.38 REMARK 500 6 PHE A 19 144.84 -174.38 REMARK 500 6 CYS A 28 87.38 -67.58 REMARK 500 6 LEU A 31 -179.89 -56.02 REMARK 500 6 GLU A 43 86.90 -68.25 REMARK 500 6 ASN A 44 75.08 51.56 REMARK 500 REMARK 500 THIS ENTRY HAS 186 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 49 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CEJ RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A 96-RESIDUE C-TERMINAL FRAGMENT OF MEROZOITE REMARK 900 SURFACE PROTEIN-1 DBREF 2FLG A 1 48 UNP P04933 MSP1_PLAFW 1526 1573 SEQRES 1 A 49 ASN ILE SER GLN HIS GLN CYS VAL LYS LYS GLN CYS PRO SEQRES 2 A 49 GLN ASN SER GLY CYS PHE ARG HIS LEU ASP GLU ARG GLU SEQRES 3 A 49 GLU CYS LYS CYS LEU LEU ASN TYR LYS GLN GLU GLY ASP SEQRES 4 A 49 LYS CYS VAL GLU ASN PRO ASN PRO THR NH2 HET NH2 A 49 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N SSBOND 1 CYS A 7 CYS A 18 1555 1555 2.12 SSBOND 2 CYS A 12 CYS A 28 1555 1555 1.97 SSBOND 3 CYS A 30 CYS A 41 1555 1555 1.93 LINK C THR A 48 N NH2 A 49 1555 1555 1.33 SITE 1 AC1 1 THR A 48 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 9 2 Bytes