Header list of 1t0g.pdb file
Complete list - b 5 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-APR-04 1T0G
TITLE HYPOTHETICAL PROTEIN AT2G24940.1 FROM ARABIDOPSIS THALIANA HAS A
TITLE 2 CYTOCHROME B5 LIKE FOLD
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYTOCHROME B5 DOMAIN-CONTAINING PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;
SOURCE 3 ORGANISM_COMMON: THALE CRESS;
SOURCE 4 ORGANISM_TAXID: 3702;
SOURCE 5 GENE: AT2G24940.1;
SOURCE 6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEU(N)HIS6;
SOURCE 9 OTHER_DETAILS: WHEAT GERM CELL-FREE, IN VITRO EXPRESSION
KEYWDS STRUCTURAL GENOMICS, HYPOTHETICAL PROTEIN, AT2G24940.1, PSI, PROTEIN
KEYWDS 2 STRUCTURE INITIATIVE, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS,
KEYWDS 3 CESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.SONG,D.A.VINAROV,E.M.TYLER,M.N.SHAHAN,R.C.TYLER,J.L.MARKLEY,CENTER
AUTHOR 2 FOR EUKARYOTIC STRUCTURAL GENOMICS (CESG)
REVDAT 7 05-FEB-20 1T0G 1 REMARK SEQADV
REVDAT 6 24-FEB-09 1T0G 1 VERSN
REVDAT 5 29-APR-08 1T0G 1 SOURCE
REVDAT 4 12-FEB-08 1T0G 1 REMARK
REVDAT 3 15-MAR-05 1T0G 1 JRNL
REVDAT 2 01-FEB-05 1T0G 1 AUTHOR KEYWDS REMARK
REVDAT 1 13-APR-04 1T0G 0
SPRSDE 13-APR-04 1T0G 1SV7
JRNL AUTH J.SONG,D.A.VINAROV,E.M.TYLER,M.N.SHAHAN,R.C.TYLER,
JRNL AUTH 2 J.L.MARKLEY
JRNL TITL HYPOTHETICAL PROTEIN AT2G24940.1 FROM ARABIDOPSIS THALIANA
JRNL TITL 2 HAS A CYTOCHROME B5 LIKE FOLD
JRNL REF J.BIOMOL.NMR V. 30 215 2004
JRNL REFN ISSN 0925-2738
JRNL PMID 15702529
JRNL DOI 10.1023/B:JNMR.0000048943.34504.29
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.2, XPLOR-NIH 2.9.3
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER ET AL; SCHWIETERS ET AL
REMARK 3 (XPLOR-NIH)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1T0G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-04.
REMARK 100 THE DEPOSITION ID IS D_1000022157.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 0.5 MM AT2G24940.1; 50MM KCL; 10
REMARK 210 MM KH2PO4; 0.02% (W/V) SODIUM
REMARK 210 AZIDE; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2.1, SPARKY 3.72, CYANA
REMARK 210 1.0.5
REMARK 210 METHOD USED : MOLECULAR DYNAMICS, TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH
REMARK 210 EXPERIMENTAL NOESY SPECTRUM,
REMARK 210 TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 3D
REMARK 210 HETERONUCLEAR NMR TECHNIQUES
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 OD1 ASP A 60 HG SER A 62 1.59
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 HIS A 4 97.00 -68.66
REMARK 500 1 HIS A 5 70.69 -150.61
REMARK 500 1 HIS A 8 -44.48 -155.62
REMARK 500 1 LEU A 9 -169.25 -125.99
REMARK 500 1 TYR A 20 33.48 -91.23
REMARK 500 1 SER A 26 71.95 64.04
REMARK 500 1 TYR A 47 -66.75 -96.68
REMARK 500 1 SER A 49 20.59 -150.40
REMARK 500 1 PRO A 77 20.71 -77.12
REMARK 500 2 HIS A 3 82.48 62.79
REMARK 500 2 HIS A 8 -78.71 -173.56
REMARK 500 2 LEU A 9 155.72 165.48
REMARK 500 2 SER A 18 2.48 -60.66
REMARK 500 2 SER A 26 15.71 81.53
REMARK 500 2 TYR A 47 -69.29 -93.09
REMARK 500 2 SER A 49 10.09 -142.66
REMARK 500 2 ALA A 57 -16.09 -41.67
REMARK 500 2 MET A 68 62.55 72.51
REMARK 500 2 GLU A 80 95.73 53.91
REMARK 500 2 LYS A 100 -55.58 -126.02
REMARK 500 3 HIS A 8 -74.45 64.21
REMARK 500 3 SER A 26 80.12 76.00
REMARK 500 3 MET A 68 60.94 67.64
REMARK 500 3 THR A 83 -169.60 -105.42
REMARK 500 4 HIS A 7 -86.09 -126.45
REMARK 500 4 TYR A 20 31.18 -98.85
REMARK 500 4 TYR A 47 -74.56 -92.34
REMARK 500 4 SER A 49 -29.23 -172.13
REMARK 500 4 GLU A 80 -93.29 43.97
REMARK 500 4 LYS A 100 -66.60 -139.28
REMARK 500 5 HIS A 6 -169.02 -108.63
REMARK 500 5 HIS A 7 68.18 -117.64
REMARK 500 5 HIS A 8 -49.52 176.66
REMARK 500 5 TYR A 20 80.00 -107.87
REMARK 500 5 SER A 26 65.02 62.61
REMARK 500 5 TYR A 47 -64.44 -102.69
REMARK 500 6 HIS A 3 -156.81 60.80
REMARK 500 6 HIS A 4 -67.05 76.84
REMARK 500 6 SER A 18 9.13 -69.15
REMARK 500 6 TYR A 47 -63.58 -93.75
REMARK 500 6 ALA A 61 31.78 -97.87
REMARK 500 6 MET A 68 -52.25 70.99
REMARK 500 6 SER A 69 -86.73 43.03
REMARK 500 6 SER A 76 148.31 -174.69
REMARK 500 7 HIS A 6 -168.48 -170.59
REMARK 500 7 HIS A 8 108.26 164.60
REMARK 500 7 LEU A 9 113.25 68.45
REMARK 500 7 SER A 18 8.19 -68.05
REMARK 500 7 TYR A 20 39.13 -92.40
REMARK 500 7 GLU A 25 -69.32 68.27
REMARK 500
REMARK 500 THIS ENTRY HAS 148 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 6138 RELATED DB: BMRB
REMARK 900 RELATED ID: GO.6705 RELATED DB: TARGETDB
DBREF 1T0G A 10 109 UNP Q9SK39 SBP3_ARATH 1 100
SEQADV 1T0G GLY A 2 UNP Q9SK39 CLONING ARTIFACT
SEQADV 1T0G HIS A 3 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G HIS A 4 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G HIS A 5 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G HIS A 6 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G HIS A 7 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G HIS A 8 UNP Q9SK39 EXPRESSION TAG
SEQADV 1T0G LEU A 9 UNP Q9SK39 CLONING ARTIFACT
SEQADV 1T0G GLU A 10 UNP Q9SK39 CLONING ARTIFACT
SEQRES 1 A 109 MET GLY HIS HIS HIS HIS HIS HIS LEU GLU GLU PHE THR
SEQRES 2 A 109 ALA GLU GLN LEU SER GLN TYR ASN GLY THR ASP GLU SER
SEQRES 3 A 109 LYS PRO ILE TYR VAL ALA ILE LYS GLY ARG VAL PHE ASP
SEQRES 4 A 109 VAL THR THR GLY LYS SER PHE TYR GLY SER GLY GLY ASP
SEQRES 5 A 109 TYR SER MET PHE ALA GLY LYS ASP ALA SER ARG ALA LEU
SEQRES 6 A 109 GLY LYS MET SER LYS ASN GLU GLU ASP VAL SER PRO SER
SEQRES 7 A 109 LEU GLU GLY LEU THR GLU LYS GLU ILE ASN THR LEU ASN
SEQRES 8 A 109 ASP TRP GLU THR LYS PHE GLU ALA LYS TYR PRO VAL VAL
SEQRES 9 A 109 GLY ARG VAL VAL SER
HELIX 1 1 ALA A 14 SER A 18 1 5
HELIX 2 2 THR A 41 LYS A 44 5 4
HELIX 3 3 ALA A 61 MET A 68 1 8
HELIX 4 4 THR A 83 ALA A 99 1 17
SHEET 1 A 5 GLU A 10 THR A 13 0
SHEET 2 A 5 VAL A 103 VAL A 108 1 O VAL A 108 N PHE A 12
SHEET 3 A 5 ARG A 36 ASP A 39 -1 N VAL A 37 O GLY A 105
SHEET 4 A 5 TYR A 30 ILE A 33 -1 N VAL A 31 O PHE A 38
SHEET 5 A 5 LYS A 59 ASP A 60 1 O LYS A 59 N ALA A 32
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 - b 5 2 Bytes