Header list of 1mvg.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSPORT PROTEIN 25-SEP-02 1MVG
TITLE NMR SOLUTION STRUCTURE OF CHICKEN LIVER BASIC FATTY ACID BINDING
TITLE 2 PROTEIN (LB-FABP)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LIVER BASIC FATTY ACID BINDING PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: L-FABP, LIVER BASIC FABP, LB-FABP
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
SOURCE 3 ORGANISM_COMMON: CHICKEN;
SOURCE 4 ORGANISM_TAXID: 9031;
SOURCE 5 TISSUE: LIVER;
SOURCE 6 OTHER_DETAILS: PURIFIED FROM CHICKEN LIVER
KEYWDS BETA-BARREL, CALYCIN, TEN ANTIPARALLEL BETA STRANDS, HELIX-TURN-HELIX
KEYWDS 2 MOTIF, FATTY ACID BINDING PROTEIN, TRANSPORT PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR F.VASILE,L.RAGONA,M.CATALANO,L.ZETTA,M.PERDUCA,H.MONACO,H.MOLINARI
REVDAT 4 23-FEB-22 1MVG 1 REMARK
REVDAT 3 24-FEB-09 1MVG 1 VERSN
REVDAT 2 09-AUG-05 1MVG 1 DBREF
REVDAT 1 04-MAR-03 1MVG 0
JRNL AUTH F.VASILE,L.RAGONA,M.CATALANO,L.ZETTA,M.PERDUCA,H.MONACO,
JRNL AUTH 2 H.MOLINARI
JRNL TITL SOLUTION STRUCTURE OF CHICKEN LIVER BASIC TYPE FATTY ACID
JRNL TITL 2 BINDING PROTEIN
JRNL REF J.BIOMOL.NMR V. 25 157 2003
JRNL REFN ISSN 0925-2738
JRNL PMID 12652125
JRNL DOI 10.1023/A:1022277727303
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, DYANA 1.5, DISCOVER 1998
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT (DYANA), MSI (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1293 NON REDUNDANT RESTRAINTS, 1179 ARE NOE-DERIVED DISTANCE
REMARK 3 CONSTRAINTS, 64 DIHEDRAL ANGLE RESTARINTS, 50 DISTANCE
REMARK 3 RESTRAINTS FROM HYDROGEN BONDS
REMARK 4
REMARK 4 1MVG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-02.
REMARK 100 THE DEPOSITION ID IS D_1000017218.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310; 310
REMARK 210 PH : 5.6; 5.6
REMARK 210 IONIC STRENGTH : 20MM PHOSPHATE BUFFER NA; 20MM
REMARK 210 PHOSPHATE BUFFER NA
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM LIVER BASIC FATTY ACID
REMARK 210 BINDING PROTEIN; 20MM PHOSPHATE
REMARK 210 BUFFER; 1MM LIVER BASIC FATTY
REMARK 210 ACID BINDING PROTEIN; 20MM
REMARK 210 PHOSPHATE BUFFER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 1.3.13, MOLMOL 2K.1
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS SIMULATED
REMARK 210 ANNEALING ENERGY MINIMISATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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: 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 1 GLU A 12 CD GLU A 12 OE2 0.110
REMARK 500 1 GLU A 15 CD GLU A 15 OE2 0.111
REMARK 500 1 GLU A 16 CD GLU A 16 OE2 0.113
REMARK 500 1 GLU A 25 CD GLU A 25 OE2 0.112
REMARK 500 1 GLU A 39 CD GLU A 39 OE2 0.111
REMARK 500 1 GLU A 67 CD GLU A 67 OE2 0.112
REMARK 500 1 GLU A 94 CD GLU A 94 OE2 0.111
REMARK 500 1 GLU A 99 CD GLU A 99 OE2 0.111
REMARK 500 1 GLU A 101 CD GLU A 101 OE2 0.113
REMARK 500 1 GLU A 106 CD GLU A 106 OE2 0.112
REMARK 500 1 GLU A 109 CD GLU A 109 OE2 0.112
REMARK 500 2 GLU A 12 CD GLU A 12 OE2 0.111
REMARK 500 2 GLU A 15 CD GLU A 15 OE2 0.111
REMARK 500 2 GLU A 16 CD GLU A 16 OE2 0.111
REMARK 500 2 GLU A 25 CD GLU A 25 OE2 0.111
REMARK 500 2 GLU A 39 CD GLU A 39 OE2 0.112
REMARK 500 2 GLU A 67 CD GLU A 67 OE2 0.111
REMARK 500 2 GLU A 94 CD GLU A 94 OE2 0.110
REMARK 500 2 GLU A 99 CD GLU A 99 OE2 0.111
REMARK 500 2 GLU A 101 CD GLU A 101 OE2 0.111
REMARK 500 2 GLU A 106 CD GLU A 106 OE2 0.111
REMARK 500 2 GLU A 109 CD GLU A 109 OE2 0.112
REMARK 500 3 GLU A 12 CD GLU A 12 OE2 0.111
REMARK 500 3 GLU A 15 CD GLU A 15 OE2 0.110
REMARK 500 3 GLU A 16 CD GLU A 16 OE2 0.112
REMARK 500 3 GLU A 25 CD GLU A 25 OE2 0.111
REMARK 500 3 GLU A 39 CD GLU A 39 OE2 0.112
REMARK 500 3 GLU A 67 CD GLU A 67 OE2 0.112
REMARK 500 3 GLU A 94 CD GLU A 94 OE2 0.113
REMARK 500 3 GLU A 99 CD GLU A 99 OE2 0.112
REMARK 500 3 GLU A 101 CD GLU A 101 OE2 0.111
REMARK 500 3 GLU A 106 CD GLU A 106 OE2 0.111
REMARK 500 3 GLU A 109 CD GLU A 109 OE2 0.110
REMARK 500 4 GLU A 12 CD GLU A 12 OE2 0.111
REMARK 500 4 GLU A 15 CD GLU A 15 OE2 0.112
REMARK 500 4 GLU A 16 CD GLU A 16 OE2 0.110
REMARK 500 4 GLU A 25 CD GLU A 25 OE2 0.112
REMARK 500 4 GLU A 39 CD GLU A 39 OE2 0.111
REMARK 500 4 GLU A 67 CD GLU A 67 OE2 0.110
REMARK 500 4 GLU A 94 CD GLU A 94 OE2 0.112
REMARK 500 4 GLU A 99 CD GLU A 99 OE2 0.112
REMARK 500 4 GLU A 101 CD GLU A 101 OE2 0.113
REMARK 500 4 GLU A 106 CD GLU A 106 OE2 0.111
REMARK 500 4 GLU A 109 CD GLU A 109 OE2 0.112
REMARK 500 5 GLU A 12 CD GLU A 12 OE2 0.111
REMARK 500 5 GLU A 15 CD GLU A 15 OE2 0.112
REMARK 500 5 GLU A 16 CD GLU A 16 OE2 0.112
REMARK 500 5 GLU A 25 CD GLU A 25 OE2 0.113
REMARK 500 5 GLU A 39 CD GLU A 39 OE2 0.111
REMARK 500 5 GLU A 67 CD GLU A 67 OE2 0.112
REMARK 500
REMARK 500 THIS ENTRY HAS 110 BOND DEVIATIONS.
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 LYS A 43 59.54 -151.33
REMARK 500 1 ASP A 45 -43.96 76.93
REMARK 500 1 ARG A 55 -41.89 -162.35
REMARK 500 1 ALA A 85 -134.02 -111.08
REMARK 500 1 SER A 93 -160.61 -125.27
REMARK 500 2 SER A 3 75.63 50.77
REMARK 500 2 ARG A 32 -70.69 -69.45
REMARK 500 2 LYS A 43 56.25 -147.70
REMARK 500 2 PRO A 54 40.42 -80.19
REMARK 500 2 ARG A 55 -50.72 -142.94
REMARK 500 2 THR A 72 -80.64 -65.03
REMARK 500 2 MET A 73 -66.40 -150.58
REMARK 500 2 ASP A 74 -71.64 -68.65
REMARK 500 2 LYS A 95 -23.00 178.51
REMARK 500 2 LYS A 103 -155.09 -125.12
REMARK 500 3 LEU A 21 -71.82 -68.78
REMARK 500 3 ALA A 22 -54.53 -174.47
REMARK 500 3 THR A 72 -177.64 -64.77
REMARK 500 3 ASP A 74 83.91 62.43
REMARK 500 3 ASN A 86 78.10 -156.96
REMARK 500 3 SER A 93 -168.60 -126.16
REMARK 500 3 LYS A 95 -37.12 -133.75
REMARK 500 4 LYS A 43 58.04 -147.05
REMARK 500 4 GLN A 56 79.82 -166.21
REMARK 500 4 MET A 73 -69.15 -174.16
REMARK 500 4 ASN A 86 83.82 -161.66
REMARK 500 5 PHE A 2 -55.18 -152.26
REMARK 500 5 SER A 3 100.29 -52.92
REMARK 500 5 ASN A 13 -35.66 72.31
REMARK 500 5 ALA A 22 -58.31 -167.99
REMARK 500 5 THR A 72 -177.35 -67.22
REMARK 500 5 ALA A 85 49.30 -150.63
REMARK 500 5 ASN A 86 95.41 68.09
REMARK 500 5 SER A 93 -149.03 -141.71
REMARK 500 5 GLU A 94 -73.92 -75.64
REMARK 500 5 HIS A 98 -145.74 180.00
REMARK 500 5 PHE A 113 80.68 -150.81
REMARK 500 6 ASN A 13 89.96 59.24
REMARK 500 6 TYR A 14 -51.41 -148.64
REMARK 500 6 ALA A 22 -65.62 -168.11
REMARK 500 6 MET A 30 46.75 -96.20
REMARK 500 6 ALA A 31 -52.07 -156.90
REMARK 500 6 LYS A 43 42.09 -140.85
REMARK 500 6 ASP A 45 18.52 57.29
REMARK 500 6 GLN A 56 173.32 127.83
REMARK 500 6 THR A 72 47.44 -149.09
REMARK 500 6 MET A 73 56.57 -148.05
REMARK 500 6 THR A 81 61.31 -116.26
REMARK 500 6 ALA A 85 -68.38 -93.28
REMARK 500 6 ASN A 86 88.52 -164.51
REMARK 500
REMARK 500 THIS ENTRY HAS 80 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 2 PHE A 47 0.14 SIDE CHAIN
REMARK 500 2 ARG A 124 0.09 SIDE CHAIN
REMARK 500 3 TYR A 14 0.08 SIDE CHAIN
REMARK 500 4 TYR A 14 0.08 SIDE CHAIN
REMARK 500 6 PHE A 96 0.07 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1MVG A 1 125 UNP P80226 FABPL_CHICK 1 125
SEQRES 1 A 125 ALA PHE SER GLY THR TRP GLN VAL TYR ALA GLN GLU ASN
SEQRES 2 A 125 TYR GLU GLU PHE LEU LYS ALA LEU ALA LEU PRO GLU ASP
SEQRES 3 A 125 LEU ILE LYS MET ALA ARG ASP ILE LYS PRO ILE VAL GLU
SEQRES 4 A 125 ILE GLN GLN LYS GLY ASP ASP PHE VAL VAL THR SER LYS
SEQRES 5 A 125 THR PRO ARG GLN THR VAL THR ASN SER PHE THR LEU GLY
SEQRES 6 A 125 LYS GLU ALA ASP ILE THR THR MET ASP GLY LYS LYS LEU
SEQRES 7 A 125 LYS CYS THR VAL HIS LEU ALA ASN GLY LYS LEU VAL THR
SEQRES 8 A 125 LYS SER GLU LYS PHE SER HIS GLU GLN GLU VAL LYS GLY
SEQRES 9 A 125 ASN GLU MET VAL GLU THR ILE THR PHE GLY GLY VAL THR
SEQRES 10 A 125 LEU ILE ARG ARG SER LYS ARG VAL
HELIX 1 1 ASN A 13 LEU A 21 1 9
HELIX 2 2 PRO A 24 ASP A 33 1 10
SHEET 1 A10 THR A 57 THR A 63 0
SHEET 2 A10 ASP A 46 LYS A 52 -1 N VAL A 49 O ASN A 60
SHEET 3 A10 ILE A 37 LYS A 43 -1 N GLU A 39 O THR A 50
SHEET 4 A10 GLY A 4 GLU A 12 -1 N TRP A 6 O VAL A 38
SHEET 5 A10 VAL A 116 VAL A 125 -1 O LYS A 123 N GLN A 7
SHEET 6 A10 GLU A 106 PHE A 113 -1 N PHE A 113 O VAL A 116
SHEET 7 A10 PHE A 96 LYS A 103 -1 N GLU A 99 O THR A 110
SHEET 8 A10 LYS A 88 LYS A 92 -1 N THR A 91 O HIS A 98
SHEET 9 A10 LYS A 76 LEU A 84 -1 N HIS A 83 O VAL A 90
SHEET 10 A10 LYS A 66 THR A 72 -1 N ALA A 68 O CYS A 80
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 23 2 Bytes