Header list of 1rml.pdb file
Complete list - r 2 2 Bytes
HEADER GROWTH FACTOR 21-MAY-98 1RML
TITLE NMR STUDY OF ACID FIBROBLAST GROWTH FACTOR BOUND TO 1,3,6-NAPHTHALENE
TITLE 2 TRISULPHONATE, 26 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACIDIC FIBROBLAST GROWTH FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 23 - 154;
COMPND 5 SYNONYM: HEPARIN-BINDING GROWTH FACTOR 1;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PMG47
KEYWDS GROWTH FACTOR, FIBROBLAST GROWTH FACTOR, ANTITUMORAL, NAPHTHALENE
EXPDTA SOLUTION NMR
NUMMDL 26
AUTHOR R.M.LOZANO,M.A.JIMENEZ,J.SANTORO,M.RICO,G.GIMENEZ-GALLEGO
REVDAT 4 02-MAR-22 1RML 1 REMARK
REVDAT 3 24-FEB-09 1RML 1 VERSN
REVDAT 2 01-APR-03 1RML 1 JRNL
REVDAT 1 11-NOV-98 1RML 0
JRNL AUTH R.M.LOZANO,M.JIMENEZ,J.SANTORO,M.RICO,G.GIMENEZ-GALLEGO
JRNL TITL SOLUTION STRUCTURE OF ACIDIC FIBROBLAST GROWTH FACTOR BOUND
JRNL TITL 2 TO 1,3, 6-NAPHTHALENETRISULFONATE: A MINIMAL MODEL FOR THE
JRNL TITL 3 ANTI-TUMORAL ACTION OF SURAMINS AND SURADISTAS.
JRNL REF J.MOL.BIOL. V. 281 899 1998
JRNL REFN ISSN 0022-2836
JRNL PMID 9719643
JRNL DOI 10.1006/JMBI.1998.1977
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.PINEDA-LUCENA,M.A.JIMENEZ,R.M.LOZANO,J.L.NIETO,J.SANTORO,
REMARK 1 AUTH 2 M.RICO,G.GIMENEZ-GALLEGO
REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF ACIDIC FIBROBLAST GROWTH
REMARK 1 TITL 2 FACTOR IN SOLUTION: EFFECTS OF BINDING TO A HEPARIN
REMARK 1 TITL 3 FUNCTIONAL ANALOG
REMARK 1 REF J.MOL.BIOL. V. 264 162 1996
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 2
REMARK 1 AUTH A.PINEDA-LUCENA,M.A.JIMENEZ,J.L.NIETO,J.SANTORO,M.RICO,
REMARK 1 AUTH 2 G.GIMENEZ-GALLEGO
REMARK 1 TITL 1H-NMR ASSIGNMENT AND SOLUTION STRUCTURE OF HUMAN ACIDIC
REMARK 1 TITL 2 FIBROBLAST GROWTH FACTOR ACTIVATED BY INOSITOL HEXASULFATE
REMARK 1 REF J.MOL.BIOL. V. 242 81 1994
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH A.PINEDA-LUCENA,M.A.JIMENEZ,J.L.NIETO,J.SANTORO,M.RICO,
REMARK 1 AUTH 2 G.GIMENEZ-GALLEGO
REMARK 1 TITL ERRATUM. 1H-NMR ASSIGNMENT AND SOLUTION STRUCTURE OF HUMAN
REMARK 1 TITL 2 ACIDIC FIBROBLAST GROWTH FACTOR ACTIVATED BY INOSITOL
REMARK 1 TITL 3 HEXASULFATE
REMARK 1 REF J.MOL.BIOL. V. 244 251 1994
REMARK 1 REFN ISSN 0022-2836
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DIANA
REMARK 3 AUTHORS : GUNTERT, BRAUN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1RML COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000176123.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : WATER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY; TOCSY; NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX-600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DIANA
REMARK 210 METHOD USED : VARIABLE TARGET FUNCTION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 26
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 26
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-26
REMARK 465 RES C SSSEQI
REMARK 465 MET A 0
REMARK 465 ALA A 1
REMARK 465 GLU A 2
REMARK 465 GLY A 3
REMARK 465 GLU A 4
REMARK 465 ILE A 5
REMARK 465 THR A 6
REMARK 465 THR A 7
REMARK 465 PHE A 8
REMARK 465 THR A 9
REMARK 465 ALA A 10
REMARK 465 LEU A 11
REMARK 465 THR A 12
REMARK 465 GLU A 13
REMARK 465 LYS A 14
REMARK 465 PHE A 15
REMARK 465 ASN A 16
REMARK 465 LEU A 17
REMARK 465 PRO A 18
REMARK 465 PRO A 19
REMARK 465 GLY A 20
REMARK 465 ASN A 21
REMARK 465 TYR A 22
REMARK 465 LYS A 23
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 ASP A 82 H GLY A 85 1.51
REMARK 500 O LYS A 126 H ASN A 128 1.55
REMARK 500 O ALA A 80 H TYR A 88 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 LYS A 26 138.27 -172.82
REMARK 500 1 SER A 31 -94.71 -54.64
REMARK 500 1 LEU A 37 150.09 -37.61
REMARK 500 1 ASP A 46 -171.21 172.41
REMARK 500 1 SER A 52 69.35 179.90
REMARK 500 1 HIS A 55 103.17 -168.90
REMARK 500 1 GLN A 59 142.79 -176.93
REMARK 500 1 SER A 61 55.34 -144.87
REMARK 500 1 SER A 64 136.71 159.60
REMARK 500 1 GLU A 67 101.82 -163.51
REMARK 500 1 SER A 72 71.67 -66.78
REMARK 500 1 THR A 73 109.96 -38.13
REMARK 500 1 GLU A 74 -63.65 168.56
REMARK 500 1 LEU A 79 106.75 -59.84
REMARK 500 1 ASN A 94 -153.18 -157.07
REMARK 500 1 GLU A 95 69.42 -66.68
REMARK 500 1 GLU A 96 -47.90 -179.11
REMARK 500 1 LEU A 98 170.84 -52.31
REMARK 500 1 LEU A 100 101.29 -41.85
REMARK 500 1 ARG A 102 -95.97 -142.80
REMARK 500 1 LEU A 103 119.12 -175.87
REMARK 500 1 GLU A 105 -103.03 -120.66
REMARK 500 1 ASN A 106 47.14 -167.36
REMARK 500 1 HIS A 107 -64.83 -172.04
REMARK 500 1 TYR A 108 -156.60 -59.72
REMARK 500 1 ASN A 109 77.27 -163.69
REMARK 500 1 ILE A 112 114.14 -160.68
REMARK 500 1 SER A 113 95.13 -37.62
REMARK 500 1 HIS A 116 55.71 -153.87
REMARK 500 1 PHE A 122 179.53 -55.96
REMARK 500 1 LYS A 126 128.34 -36.46
REMARK 500 1 LYS A 127 59.44 -67.85
REMARK 500 1 ASN A 128 -44.46 -150.05
REMARK 500 1 SER A 130 114.72 169.92
REMARK 500 1 CYS A 131 -178.97 -58.41
REMARK 500 1 LYS A 132 -167.55 -111.49
REMARK 500 1 ARG A 133 110.48 -170.12
REMARK 500 1 ARG A 136 41.00 169.39
REMARK 500 1 THR A 137 59.09 -148.95
REMARK 500 1 TYR A 139 -177.41 -49.70
REMARK 500 1 GLN A 141 -90.29 -133.89
REMARK 500 1 LYS A 142 60.37 -178.40
REMARK 500 1 LEU A 145 91.63 -52.88
REMARK 500 1 VAL A 151 56.89 -172.22
REMARK 500 1 SER A 152 87.35 -56.75
REMARK 500 2 SER A 31 -90.43 -61.14
REMARK 500 2 LEU A 37 145.95 -38.42
REMARK 500 2 ASP A 46 -159.42 -175.84
REMARK 500 2 ARG A 51 123.00 -34.31
REMARK 500 2 SER A 52 69.46 179.75
REMARK 500
REMARK 500 THIS ENTRY HAS 1035 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NTS A 178
DBREF 1RML A 0 154 UNP P05230 FGF1_HUMAN 1 155
SEQRES 1 A 155 MET ALA GLU GLY GLU ILE THR THR PHE THR ALA LEU THR
SEQRES 2 A 155 GLU LYS PHE ASN LEU PRO PRO GLY ASN TYR LYS LYS PRO
SEQRES 3 A 155 LYS LEU LEU TYR CYS SER ASN GLY GLY HIS PHE LEU ARG
SEQRES 4 A 155 ILE LEU PRO ASP GLY THR VAL ASP GLY THR ARG ASP ARG
SEQRES 5 A 155 SER ASP GLN HIS ILE GLN LEU GLN LEU SER ALA GLU SER
SEQRES 6 A 155 VAL GLY GLU VAL TYR ILE LYS SER THR GLU THR GLY GLN
SEQRES 7 A 155 TYR LEU ALA MET ASP THR ASP GLY LEU LEU TYR GLY SER
SEQRES 8 A 155 GLN THR PRO ASN GLU GLU CYS LEU PHE LEU GLU ARG LEU
SEQRES 9 A 155 GLU GLU ASN HIS TYR ASN THR TYR ILE SER LYS LYS HIS
SEQRES 10 A 155 ALA GLU LYS ASN TRP PHE VAL GLY LEU LYS LYS ASN GLY
SEQRES 11 A 155 SER CYS LYS ARG GLY PRO ARG THR HIS TYR GLY GLN LYS
SEQRES 12 A 155 ALA ILE LEU PHE LEU PRO LEU PRO VAL SER SER ASP
HET NTS A 178 27
HETNAM NTS NAPHTHALENE TRISULFONATE
FORMUL 2 NTS C10 H5 O9 S3 3-
HELIX 1 1 ALA A 117 LYS A 119 5 3
SHEET 1 A 2 LEU A 28 CYS A 30 0
SHEET 2 A 2 PHE A 146 PRO A 148 -1 N LEU A 147 O TYR A 29
SHEET 1 B 2 PHE A 36 ILE A 39 0
SHEET 2 B 2 VAL A 45 THR A 48 -1 N THR A 48 O PHE A 36
SHEET 1 C 2 LEU A 79 MET A 81 0
SHEET 2 C 2 LEU A 87 GLY A 89 -1 N TYR A 88 O ALA A 80
SITE 1 AC1 10 GLY A 124 LYS A 126 LYS A 127 THR A 137
SITE 2 AC1 10 HIS A 138 TYR A 139 GLN A 141 LYS A 142
SITE 3 AC1 10 ALA A 143 ILE A 144
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