Header list of 2hfv.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-JUN-06 2HFV
TITLE SOLUTION NMR STRUCTURE OF PROTEIN RPA1041 FROM PSEUDOMONAS AERUGINOSA.
TITLE 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PAT90.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN RPA1041;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
SOURCE 3 ORGANISM_TAXID: 287;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 GOLD MAGIC;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P15TV LIC
KEYWDS NESG, GFT-NMR, ALPHA+BETA, STRUCTURAL GENOMICS, PSI-2, PROTEIN
KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM,
KEYWDS 3 UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.ELETSKY,H.S.ATREYA,G.LIU,D.SUKUMARAN,M.GARCIA,A.YEE,C.ARROWSMITH,
AUTHOR 2 T.SZYPERSKI,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 3 09-MAR-22 2HFV 1 REMARK
REVDAT 2 24-FEB-09 2HFV 1 VERSN
REVDAT 1 25-JUL-06 2HFV 0
JRNL AUTH A.ELETSKY,H.S.ATREYA,G.LIU,D.SUKUMARAN,M.GARCIA,A.YEE,
JRNL AUTH 2 C.ARROWSMITH,T.SZYPERSKI
JRNL TITL SOLUTION NMR STRUCTURE OF PSEUDOMONAS AERUGINOSA
JRNL TITL 2 HYPOTHETICAL PROTEIN RPA1041
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CNS 1.1
REMARK 3 AUTHORS : VARIAN, INC. (VNMR),
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 2HFV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-JUN-06.
REMARK 100 THE DEPOSITION ID IS D_1000038299.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 450 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 10 MM MOPS, 450 MM NACL, ~10 UM
REMARK 210 ZNSO4, 10 MM DTT, 0.01% NAN3,
REMARK 210 1MM BENZAMIDINE, 1X INHIBITOR
REMARK 210 COCKTAIL, 90% H2O / 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N,13C-SEPARATED NOESY;
REMARK 210 (4,3)D_GFT_HNNCABCA; (4,3)D_GFT_
REMARK 210 CABCA(CO)NHN; 3D_HAB(CO)NH; (4,3)
REMARK 210 D_GFT_HCCH-COSYALI; 3D_HCCH-
REMARK 210 TOCSYALI
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 1.3.13, CARA 1.5.3, CYANA
REMARK 210 2.1, AUTOSTRUCTURE 2.0.0, PROSA
REMARK 210 6.0
REMARK 210 METHOD USED : REFINEMENT IN EXPLICIT WATER
REMARK 210 BATH
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : 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: 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: 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 TYR A 18 -159.69 -129.39
REMARK 500 1 PHE A 19 75.88 73.97
REMARK 500 1 HIS A 22 -51.24 177.67
REMARK 500 1 LEU A 26 -65.86 -106.77
REMARK 500 1 THR A 29 163.61 178.29
REMARK 500 1 GLU A 60 93.56 50.58
REMARK 500 1 LEU A 89 -44.50 -167.58
REMARK 500 1 ALA A 90 94.67 55.96
REMARK 500 1 HIS A 91 -64.96 -157.64
REMARK 500 2 ASN A 16 143.47 176.47
REMARK 500 2 GLN A 20 -65.20 -171.92
REMARK 500 2 HIS A 22 -77.28 -141.66
REMARK 500 2 LEU A 52 102.05 68.06
REMARK 500 2 LEU A 63 119.64 -173.09
REMARK 500 2 ILE A 66 91.03 69.09
REMARK 500 2 PRO A 67 99.98 -69.24
REMARK 500 2 ASP A 75 -71.41 -52.19
REMARK 500 2 LEU A 89 -51.89 -172.61
REMARK 500 2 ALA A 90 82.98 59.20
REMARK 500 2 HIS A 91 -44.59 -158.79
REMARK 500 2 SER A 95 -167.19 64.30
REMARK 500 3 LEU A 26 -70.17 -81.82
REMARK 500 3 VAL A 51 56.32 -96.49
REMARK 500 3 ASP A 53 -64.47 -144.30
REMARK 500 3 SER A 62 56.83 -170.25
REMARK 500 3 LEU A 89 -35.16 176.77
REMARK 500 3 ARG A 94 -58.22 72.05
REMARK 500 4 SER A 11 85.80 -152.52
REMARK 500 4 TYR A 18 81.97 -150.99
REMARK 500 4 LEU A 52 119.42 64.56
REMARK 500 4 GLU A 60 -77.50 -68.33
REMARK 500 4 SER A 62 -50.68 -124.23
REMARK 500 4 ASP A 76 30.59 -141.49
REMARK 500 4 ALA A 90 86.67 -65.65
REMARK 500 4 HIS A 91 -37.23 -163.77
REMARK 500 4 ARG A 94 71.60 -118.52
REMARK 500 4 SER A 95 31.29 -81.80
REMARK 500 5 HIS A 9 82.79 -170.74
REMARK 500 5 ASN A 16 109.50 -161.26
REMARK 500 5 LEU A 26 -66.21 -100.60
REMARK 500 5 GLN A 54 120.86 68.07
REMARK 500 5 LEU A 59 97.73 167.31
REMARK 500 5 GLU A 60 92.33 64.88
REMARK 500 6 ARG A 14 -14.65 -143.18
REMARK 500 6 TYR A 18 -74.28 -123.88
REMARK 500 6 PHE A 19 -8.64 70.26
REMARK 500 6 LEU A 23 139.17 84.31
REMARK 500 6 SER A 57 103.99 62.48
REMARK 500 6 GLU A 60 -156.24 43.73
REMARK 500 6 HIS A 91 -44.71 -155.13
REMARK 500
REMARK 500 THIS ENTRY HAS 209 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: PAT90 RELATED DB: TARGETDB
REMARK 900 RELATED ID: 7191 RELATED DB: BMRB
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 AT THE TIME OF PROCESSING, THE SEQUENCE OF THIS PROTEIN IS
REMARK 999 NOT AVAILABLE AT THE UNP SEQUENCE DATABASE.
DBREF 2HFV A 24 97 UNP Q6NAY9 Q6NAY9_RHOPA 2 75
SEQRES 1 A 97 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 97 ARG GLU ASN LEU TYR PHE GLN GLY HIS LEU ARG GLU LEU
SEQRES 3 A 97 LEU ARG THR ASN ASP ALA VAL LEU LEU SER ALA VAL GLY
SEQRES 4 A 97 ALA LEU LEU ASP GLY ALA ASP ILE GLY HIS LEU VAL LEU
SEQRES 5 A 97 ASP GLN ASN MET SER ILE LEU GLU GLY SER LEU GLY VAL
SEQRES 6 A 97 ILE PRO ARG ARG VAL LEU VAL HIS GLU ASP ASP LEU ALA
SEQRES 7 A 97 GLY ALA ARG ARG LEU LEU THR ASP ALA GLY LEU ALA HIS
SEQRES 8 A 97 GLU LEU ARG SER ASP ASP
HELIX 1 1 ASP A 31 ALA A 45 1 15
HELIX 2 2 ASP A 76 ALA A 87 1 12
SHEET 1 A 3 LEU A 23 THR A 29 0
SHEET 2 A 3 ARG A 68 HIS A 73 -1 O VAL A 70 N LEU A 27
SHEET 3 A 3 HIS A 49 LEU A 50 -1 N LEU A 50 O LEU A 71
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