Header list of 2aqe.pdb file
Complete list - r 9 2 Bytes
HEADER TRANSCRIPTION 17-AUG-05 2AQE TITLE STRUCTURAL AND FUNCTIONAL ANALYSIS OF ADA2 ALPHA SWIRM DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTIONAL ADAPTOR 2, ADA2 ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SWIRM DOMAIN, RESIDUES 355-443; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: TADA21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET32A KEYWDS HELIX-TURN-HELIX, TRANSCRIPTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR C.QIAN,Q.ZHANG,L.ZENG,M.-M.ZHOU REVDAT 3 09-MAR-22 2AQE 1 REMARK SEQADV REVDAT 2 24-FEB-09 2AQE 1 VERSN REVDAT 1 13-DEC-05 2AQE 0 JRNL AUTH C.QIAN,Q.ZHANG,S.D.LI,L.ZENG,M.J.WALSH,M.-M.ZHOU JRNL TITL STRUCTURE AND CHROMOSOMAL DNA BINDING OF THE SWIRM DOMAIN JRNL REF NAT.STRUCT.MOL.BIOL. V. 12 1078 2005 JRNL REFN ISSN 1545-9993 JRNL PMID 16299514 JRNL DOI 10.1038/NSMB1022 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE, CNS 1.1, ARIA 1.2 REMARK 3 AUTHORS : BAX, A. (NMRPIPE), BRUNGER ET AL (CNS), NIGLES, M. REMARK 3 (ARIA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2AQE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-SEP-05. REMARK 100 THE DEPOSITION ID IS D_1000034190. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1MM ADA2 ALPHA SWIRM DOMAIN, U REMARK 210 -15N,13C, 50MM PHOSPHATE BUFFER, REMARK 210 100MM NACL, PH 6.5, 90% H2O, 10% REMARK 210 D2O; 1MM ADA2 ALPHA SWIRM DOMAIN, REMARK 210 U-15N, 13C, 50MM PHOSPHATE REMARK 210 BUFFER, 100MM NACL, PH 6.5, 100% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; HNHA; HNCACB; REMARK 210 HN(CO)CACB REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRVIEW 5.0 REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY 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: CLOSE CONTACTS 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 ASN A 24 H LYS A 28 1.55 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 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 PRO A 11 -158.27 -72.35 REMARK 500 1 LEU A 12 -79.83 -135.20 REMARK 500 1 ARG A 35 91.25 -29.02 REMARK 500 1 PRO A 38 -71.18 -62.27 REMARK 500 1 LEU A 66 -72.02 -90.52 REMARK 500 1 LYS A 68 -134.03 42.24 REMARK 500 1 ILE A 69 -33.13 -149.45 REMARK 500 1 ASP A 70 -91.36 -109.42 REMARK 500 1 VAL A 71 -45.34 -175.61 REMARK 500 1 ILE A 82 -77.81 -51.10 REMARK 500 1 TYR A 86 -75.12 -120.62 REMARK 500 1 ILE A 87 -147.84 -103.43 REMARK 500 2 ASN A 3 -72.18 -128.37 REMARK 500 2 ARG A 7 96.99 52.97 REMARK 500 2 SER A 8 -145.78 -170.08 REMARK 500 2 ALA A 9 168.19 -47.49 REMARK 500 2 PRO A 10 106.68 -46.84 REMARK 500 2 LEU A 12 -78.53 -89.60 REMARK 500 2 ASN A 13 18.07 -144.69 REMARK 500 2 ARG A 35 92.42 -31.56 REMARK 500 2 LEU A 36 -152.75 -126.16 REMARK 500 2 LEU A 66 -77.25 -90.33 REMARK 500 2 LYS A 68 -153.36 46.87 REMARK 500 2 ILE A 69 -34.35 -137.36 REMARK 500 2 ASP A 70 -162.09 -108.26 REMARK 500 3 LEU A 12 -73.34 -121.64 REMARK 500 3 ASN A 13 -42.25 -144.47 REMARK 500 3 PRO A 18 -80.10 -59.14 REMARK 500 3 ARG A 35 94.18 -29.07 REMARK 500 3 ARG A 59 168.07 -49.07 REMARK 500 3 LEU A 66 -70.47 -90.90 REMARK 500 3 LYS A 68 -125.61 38.98 REMARK 500 3 ILE A 69 -7.76 -156.90 REMARK 500 3 ASP A 70 -89.90 -135.95 REMARK 500 3 VAL A 71 -44.12 -172.07 REMARK 500 3 TYR A 86 -43.60 -152.18 REMARK 500 3 ILE A 87 -155.31 -140.74 REMARK 500 4 SER A 2 88.66 -168.64 REMARK 500 4 ASN A 3 -60.10 -127.65 REMARK 500 4 ARG A 7 -170.20 53.86 REMARK 500 4 PRO A 10 107.86 -59.21 REMARK 500 4 LEU A 12 -84.33 -85.43 REMARK 500 4 ASN A 24 172.27 -48.18 REMARK 500 4 ARG A 35 91.57 -30.50 REMARK 500 4 LEU A 66 -83.77 -72.98 REMARK 500 4 LYS A 68 -154.70 51.53 REMARK 500 4 ILE A 69 -32.77 -143.11 REMARK 500 4 ASP A 70 -90.97 -100.47 REMARK 500 4 VAL A 71 -47.21 -176.74 REMARK 500 4 TYR A 86 -50.06 -149.47 REMARK 500 REMARK 500 THIS ENTRY HAS 272 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2AQF RELATED DB: PDB REMARK 900 NMR STRUCTURE OF ADA2 ALPHA SWIRM DOMAIN DBREF 2AQE A 2 90 UNP Q8BNK0 Q8BNK0_MOUSE 355 443 SEQADV 2AQE GLY A 1 UNP Q8BNK0 CLONING ARTIFACT SEQRES 1 A 90 GLY SER ASN SER GLY ARG ARG SER ALA PRO PRO LEU ASN SEQRES 2 A 90 LEU THR GLY LEU PRO GLY THR GLU LYS LEU ASN GLU LYS SEQRES 3 A 90 GLU LYS GLU LEU CYS GLN VAL VAL ARG LEU VAL PRO GLY SEQRES 4 A 90 ALA TYR LEU GLU TYR LYS SER ALA LEU LEU ASN GLU CYS SEQRES 5 A 90 HIS LYS GLN GLY GLY LEU ARG LEU ALA GLN ALA ARG ALA SEQRES 6 A 90 LEU ILE LYS ILE ASP VAL ASN LYS THR ARG LYS ILE TYR SEQRES 7 A 90 ASP PHE LEU ILE ARG GLU GLY TYR ILE THR LYS ALA HELIX 1 1 ASN A 24 VAL A 34 1 11 HELIX 2 2 VAL A 37 GLY A 56 1 20 HELIX 3 3 ARG A 59 ALA A 65 1 7 HELIX 4 4 VAL A 71 GLU A 84 1 14 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