Header list of 1yxe.pdb file
Complete list - r 25 2 Bytes
HEADER IMMUNE SYSTEM 21-FEB-05 1YXE TITLE STRUCTURE AND INTER-DOMAIN INTERACTIONS OF DOMAIN II FROM THE BLOOD TITLE 2 STAGE MALARIAL PROTEIN, APICAL MEMBRANE ANTIGEN 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: APICAL MEMBRANE ANTIGEN 1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; SOURCE 3 ORGANISM_TAXID: 36329; SOURCE 4 STRAIN: 3D7; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 KEYWDS MALARIA, APICAL MEMBRANE ANTIGEN 1, MOLTEN GLOBULE, IMMUNE SYSTEM EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Z.P.FENG,D.W.KEIZER,R.A.STEVENSON,S.YAO,J.J.BABON,V.J.MURPHY, AUTHOR 2 R.F.ANDERS,R.S.NORTON REVDAT 3 13-JUL-11 1YXE 1 VERSN REVDAT 2 24-FEB-09 1YXE 1 VERSN REVDAT 1 05-JUL-05 1YXE 0 JRNL AUTH Z.P.FENG,D.W.KEIZER,R.A.STEVENSON,S.YAO,J.J.BABON, JRNL AUTH 2 V.J.MURPHY,R.F.ANDERS,R.S.NORTON JRNL TITL STRUCTURE AND INTER-DOMAIN INTERACTIONS OF DOMAIN II FROM JRNL TITL 2 THE BLOOD-STAGE MALARIAL PROTEIN, APICAL MEMBRANE ANTIGEN 1. JRNL REF J.MOL.BIOL. V. 350 641 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 15964019 JRNL DOI 10.1016/J.JMB.2005.05.011 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR NIH REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YXE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032032. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 0.8 MM AMA1 DII, 10 MM SODIUM REMARK 210 ACETATE, 95% H2O, 5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY; 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE; DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR NIH REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 12 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 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 HIS A -5 47.40 -147.78 REMARK 500 1 HIS A -4 -159.65 -110.78 REMARK 500 1 SER A -1 -65.11 -105.15 REMARK 500 1 PHE A 312 80.19 -150.09 REMARK 500 1 VAL A 316 171.29 -48.40 REMARK 500 1 ASP A 322 -154.98 -174.09 REMARK 500 1 LEU A 334 -76.86 -95.29 REMARK 500 1 PHE A 335 -75.28 -163.71 REMARK 500 1 LEU A 340 91.29 -169.51 REMARK 500 1 VAL A 341 42.71 -146.09 REMARK 500 1 GLU A 343 28.28 -149.53 REMARK 500 1 LYS A 351 -169.02 -116.18 REMARK 500 1 GLN A 352 98.28 -62.21 REMARK 500 1 GLN A 355 65.16 -102.80 REMARK 500 1 ASN A 369 -139.93 -76.39 REMARK 500 1 SER A 377 47.62 -151.20 REMARK 500 1 PHE A 379 88.09 -64.12 REMARK 500 1 LEU A 380 99.55 -41.31 REMARK 500 1 ALA A 384 -75.99 -65.21 REMARK 500 1 PHE A 385 42.46 -91.14 REMARK 500 1 LYS A 391 -162.69 -66.14 REMARK 500 1 LYS A 395 52.95 -114.92 REMARK 500 1 GLU A 405 -66.01 -122.34 REMARK 500 1 THR A 406 -73.29 -121.41 REMARK 500 1 GLN A 407 72.18 -174.70 REMARK 500 1 PHE A 412 -62.85 -170.72 REMARK 500 1 ASN A 413 -167.42 -170.07 REMARK 500 1 THR A 417 72.00 -160.39 REMARK 500 1 ASN A 422 -82.87 -151.82 REMARK 500 1 THR A 429 89.04 -61.14 REMARK 500 1 LEU A 431 -68.54 -154.49 REMARK 500 1 PRO A 434 -169.41 -72.30 REMARK 500 2 ASN A 309 -69.58 -140.59 REMARK 500 2 PHE A 312 44.63 -106.35 REMARK 500 2 TRP A 315 148.57 -171.78 REMARK 500 2 ASP A 317 -63.96 -169.29 REMARK 500 2 ASN A 319 -45.48 -152.28 REMARK 500 2 ALA A 331 33.69 -172.06 REMARK 500 2 ILE A 332 59.40 -109.52 REMARK 500 2 PHE A 335 -50.40 -149.29 REMARK 500 2 ASN A 338 39.18 -141.41 REMARK 500 2 VAL A 341 53.54 -103.30 REMARK 500 2 PHE A 342 29.67 -144.08 REMARK 500 2 GLU A 343 -42.98 -160.55 REMARK 500 2 GLN A 349 108.24 -52.08 REMARK 500 2 LYS A 351 -76.46 -60.68 REMARK 500 2 GLN A 352 94.43 -69.79 REMARK 500 2 GLU A 354 -79.35 -128.68 REMARK 500 2 GLN A 355 -156.66 -175.52 REMARK 500 2 PHE A 367 96.28 -59.58 REMARK 500 REMARK 500 THIS ENTRY HAS 630 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1YXE A 309 436 UNP P22621 AMA1_PLAFF 309 436 SEQADV 1YXE MET A -12 UNP P22621 EXPRESSION TAG SEQADV 1YXE ARG A -11 UNP P22621 EXPRESSION TAG SEQADV 1YXE GLY A -10 UNP P22621 EXPRESSION TAG SEQADV 1YXE SER A -9 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -8 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -7 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -6 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -5 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -4 UNP P22621 EXPRESSION TAG SEQADV 1YXE HIS A -3 UNP P22621 EXPRESSION TAG SEQADV 1YXE GLY A -2 UNP P22621 EXPRESSION TAG SEQADV 1YXE SER A -1 UNP P22621 EXPRESSION TAG SEQRES 1 A 140 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER ASN SEQRES 2 A 140 ALA LYS PHE GLY LEU TRP VAL ASP GLY ASN CYS GLU ASP SEQRES 3 A 140 ILE PRO HIS VAL ASN GLU PHE PRO ALA ILE ASP LEU PHE SEQRES 4 A 140 GLU CYS ASN LYS LEU VAL PHE GLU LEU SER ALA SER ASP SEQRES 5 A 140 GLN PRO LYS GLN TYR GLU GLN HIS LEU THR ASP TYR GLU SEQRES 6 A 140 LYS ILE LYS GLU GLY PHE LYS ASN LYS ASN ALA SER MET SEQRES 7 A 140 ILE LYS SER ALA PHE LEU PRO THR GLY ALA PHE LYS ALA SEQRES 8 A 140 ASP ARG TYR LYS SER HIS GLY LYS GLY TYR ASN TRP GLY SEQRES 9 A 140 ASN TYR ASN THR GLU THR GLN LYS CYS GLU ILE PHE ASN SEQRES 10 A 140 VAL LYS PRO THR CYS LEU ILE ASN ASN SER SER TYR ILE SEQRES 11 A 140 ALA THR THR ALA LEU SER HIS PRO ILE GLU HELIX 1 1 LEU A 344 ASP A 348 5 5 HELIX 2 2 HIS A 356 GLY A 366 5 11 HELIX 3 3 LYS A 370 ILE A 375 1 6 HELIX 4 4 LYS A 376 ALA A 378 5 3 HELIX 5 5 PHE A 385 ARG A 389 5 5 HELIX 6 6 SER A 392 GLY A 396 5 5 SHEET 1 A 3 ASN A 327 PHE A 329 0 SHEET 2 A 3 LYS A 408 ILE A 411 -1 O CYS A 409 N PHE A 329 SHEET 3 A 3 GLY A 400 ASN A 403 -1 N ASN A 401 O GLU A 410 SSBOND 1 CYS A 320 CYS A 418 1555 1555 2.02 SSBOND 2 CYS A 337 CYS A 409 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 MODEL 1
Complete list - r 25 2 Bytes