Header list of 1x3q.pdb file
Complete list - r 2 2 Bytes
HEADER UNKNOWN FUNCTION 10-MAY-05 1X3Q
TITLE 3D SOLUTION STRUCTURE OF THE CHROMO-2 DOMAIN OF CPSRP43
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CPSRP43;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CHROMO-2 DOMAIN;
COMPND 5 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 TISSUE: CHLOROPLAST;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS CHROMO-2 DOMAIN, CPSRP43, LHCP, THYLAKOID, PROTEIN TRANSLOCATION,
KEYWDS 2 UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
MDLTYP MINIMIZED AVERAGE
AUTHOR V.SIVARAJA,T.K.S.KUMAR,R.HENRY,C.YU
REVDAT 3 02-MAR-22 1X3Q 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X3Q 1 VERSN
REVDAT 1 20-SEP-05 1X3Q 0
JRNL AUTH V.SIVARAJA,T.K.S.KUMAR,R.HENRY,C.YU
JRNL TITL 3D SOLUTION STRUCTURE OF THE CHROMO-2 DOMAIN OF CPSRP43
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CNS 1.1
REMARK 3 AUTHORS : BRUKER (XWINNMR),
REMARK 3 BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,
REMARK 3 NILGES, PANNU,READ,RICE,SIMONSON,WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1X3Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024340.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 100MM PHOSPHATE BUFFER, 100MM
REMARK 210 NACL; 90% H20, 10% D20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CNS 1.1
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 : 20
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D AND 3D NMR
REMARK 210 EXPERIMENTS
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
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 3 TYR A 25 CZ TYR A 25 CE2 0.112
REMARK 500 7 TYR A 7 CE1 TYR A 7 CZ -0.088
REMARK 500 7 TYR A 7 CZ TYR A 7 CE2 0.088
REMARK 500 8 TYR A 25 CZ TYR A 25 OH 0.125
REMARK 500 11 TYR A 25 CE1 TYR A 25 CZ -0.081
REMARK 500 11 TYR A 25 CZ TYR A 25 CE2 0.107
REMARK 500 15 TYR A 25 CE1 TYR A 25 CZ -0.084
REMARK 500 15 TYR A 25 CZ TYR A 25 CE2 0.122
REMARK 500 19 TYR A 25 CE1 TYR A 25 CZ -0.085
REMARK 500 19 TYR A 25 CZ TYR A 25 CE2 0.091
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 SER A 2 -153.12 -177.52
REMARK 500 1 VAL A 4 -77.61 -71.48
REMARK 500 1 PHE A 5 -147.25 -68.70
REMARK 500 1 ASP A 11 -25.17 160.75
REMARK 500 1 ILE A 13 123.10 32.06
REMARK 500 1 LYS A 16 -160.62 -178.43
REMARK 500 1 ARG A 17 126.33 89.38
REMARK 500 1 ASP A 22 110.09 -178.00
REMARK 500 1 LEU A 26 72.96 174.07
REMARK 500 1 ARG A 28 -42.07 -131.25
REMARK 500 1 TRP A 29 -87.14 -47.46
REMARK 500 1 LYS A 30 -95.27 -84.93
REMARK 500 1 ASP A 31 -172.35 43.52
REMARK 500 1 TRP A 37 -174.10 -54.50
REMARK 500 1 VAL A 38 -63.97 -125.22
REMARK 500 1 VAL A 43 36.05 -97.34
REMARK 500 1 ASP A 53 -39.74 -33.11
REMARK 500 1 LEU A 55 -92.05 -63.66
REMARK 500 2 GLN A 3 -149.84 -65.81
REMARK 500 2 VAL A 4 -98.48 -63.31
REMARK 500 2 PHE A 5 -105.44 -59.81
REMARK 500 2 ALA A 8 60.38 -115.64
REMARK 500 2 ASP A 11 -20.23 161.69
REMARK 500 2 ILE A 13 123.29 27.67
REMARK 500 2 LYS A 16 -159.29 -179.06
REMARK 500 2 ARG A 17 130.78 76.76
REMARK 500 2 LYS A 19 161.74 -41.19
REMARK 500 2 LYS A 21 -36.55 -139.11
REMARK 500 2 LEU A 26 80.46 154.67
REMARK 500 2 VAL A 27 34.15 -141.64
REMARK 500 2 TRP A 29 -96.16 -48.81
REMARK 500 2 LYS A 30 -95.80 -86.43
REMARK 500 2 ASP A 31 -159.68 44.52
REMARK 500 2 LYS A 39 136.94 -24.51
REMARK 500 2 VAL A 43 37.91 -92.90
REMARK 500 2 ASP A 53 -36.13 -32.81
REMARK 500 2 LEU A 55 -96.03 -66.95
REMARK 500 3 GLN A 3 139.68 65.31
REMARK 500 3 VAL A 4 -87.66 -68.74
REMARK 500 3 PHE A 5 -124.61 -63.73
REMARK 500 3 ASP A 11 -17.41 170.95
REMARK 500 3 ILE A 13 119.97 36.68
REMARK 500 3 LYS A 16 -156.70 -178.61
REMARK 500 3 ARG A 17 125.60 72.82
REMARK 500 3 LYS A 19 150.49 -45.45
REMARK 500 3 ASP A 22 111.91 177.59
REMARK 500 3 LEU A 26 75.85 158.12
REMARK 500 3 TRP A 29 -88.26 -45.61
REMARK 500 3 ASP A 31 143.26 -28.68
REMARK 500 3 LYS A 39 141.34 -23.34
REMARK 500
REMARK 500 THIS ENTRY HAS 373 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 3 TYR A 25 0.09 SIDE CHAIN
REMARK 500 5 ARG A 28 0.07 SIDE CHAIN
REMARK 500 8 TYR A 25 0.15 SIDE CHAIN
REMARK 500 8 TYR A 51 0.05 SIDE CHAIN
REMARK 500 11 TYR A 25 0.07 SIDE CHAIN
REMARK 500 14 TYR A 25 0.09 SIDE CHAIN
REMARK 500 15 TYR A 25 0.10 SIDE CHAIN
REMARK 500 19 TYR A 7 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1X3P RELATED DB: PDB
REMARK 900 CHROMO-3 DOMAIN OF CPSRP43
DBREF 1X3Q A 3 57 UNP O22265 O22265_ARATH 268 322
SEQADV 1X3Q GLY A 1 UNP O22265 CLONING ARTIFACT
SEQADV 1X3Q SER A 2 UNP O22265 CLONING ARTIFACT
SEQRES 1 A 57 GLY SER GLN VAL PHE GLU TYR ALA GLU VAL ASP GLU ILE
SEQRES 2 A 57 VAL GLU LYS ARG GLY LYS GLY LYS ASP VAL GLU TYR LEU
SEQRES 3 A 57 VAL ARG TRP LYS ASP GLY GLY ASP CYS GLU TRP VAL LYS
SEQRES 4 A 57 GLY VAL HIS VAL ALA GLU ASP VAL ALA LYS ASP TYR GLU
SEQRES 5 A 57 ASP GLY LEU GLU TYR
HELIX 1 1 ALA A 44 LEU A 55 1 12
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 2 2 Bytes