Header list of 1ri0.pdb file
Complete list - r 2 2 Bytes
HEADER HORMONE/GROWTH FACTOR 16-NOV-03 1RI0
TITLE NMR STRUCTURE OF THE N-TERMINAL HATH DOMAIN OF HUMAN HDGF
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEPATOMA-DERIVED GROWTH FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL 100 RESIDUES;
COMPND 5 SYNONYM: THE HATH DOMAIN OF HHDGF, HDGF, HIGH-MOBILITY GROUP PROTEIN
COMPND 6 1-LIKE 2, HMG-1L2;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: HDGF;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11D
KEYWDS HDGF, HATH DOMAIN, PWWP DOMAIN, HEPARIN-BINDING, GROWTH FACTOR,
KEYWDS 2 HORMONE-GROWTH FACTOR COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.-C.SUE,J.-Y.CHEN,T.-H.HUANG
REVDAT 3 02-MAR-22 1RI0 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1RI0 1 VERSN
REVDAT 1 16-NOV-04 1RI0 0
JRNL AUTH S.-C.SUE,J.-Y.CHEN,S.-C.LEE,W.-G.WU,T.-H.HUANG
JRNL TITL SOLUTION STRUCTURE AND HEPARIN INTERACTION OF HUMAN
JRNL TITL 2 HEPATOMA-DERIVED GROWTH FACTOR
JRNL REF J.MOL.BIOL. V. 343 1365 2004
JRNL REFN ISSN 0022-2836
JRNL PMID 15491618
JRNL DOI 10.1016/J.JMB.2004.09.014
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, CYANA 1.0.5
REMARK 3 AUTHORS : BRUKER (XWINNMR), PETER GUNTERT, TORSTEN HERRMANN
REMARK 3 (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1507 RESTRAINTS, INCLUDING 1245 NOE-DERIVED DISTANCE CONSTRAINTS,
REMARK 3 196 DIHEDRAL ANGLE RESTRAINTS, 66 DISTANCE RESTRAINTS OF
REMARK 3 HYDROGEN BONDS.
REMARK 4
REMARK 4 1RI0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000020759.
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 : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2 TO 3MM 15N AND 13C UNIFORM
REMARK 210 LABELED PROTEIN, 100MM PHOSPHATE
REMARK 210 BUFFER, 150MM NACL, 1MM EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA 2.8.13, CYANA 1.0.5
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 DYNAMICS
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: THE STRUCTURE WAS DETERMINED BY USING STANDARD TRIPLE
REMARK 210 -RESONANCE NMR SPECTROSCOPY.
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 1-20
REMARK 465 RES C SSSEQI
REMARK 465 MET A -9
REMARK 465 HIS A -8
REMARK 465 HIS A -7
REMARK 465 HIS A -6
REMARK 465 HIS A -5
REMARK 465 HIS A -4
REMARK 465 HIS A -3
REMARK 465 ALA A -2
REMARK 465 MET A -1
REMARK 465 ALA A 0
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 TYR A 66 H LYS A 70 1.51
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 2 140.57 -179.65
REMARK 500 1 ARG A 6 -178.50 -69.93
REMARK 500 1 GLN A 7 -82.98 -102.17
REMARK 500 1 GLU A 35 41.92 -144.57
REMARK 500 1 ALA A 36 -70.16 -106.14
REMARK 500 1 LYS A 44 147.26 -173.20
REMARK 500 1 HIS A 53 39.35 74.29
REMARK 500 1 LYS A 72 -65.77 -103.60
REMARK 500 1 PHE A 73 -72.32 -131.44
REMARK 500 1 LYS A 96 -38.65 -178.99
REMARK 500 2 ASN A 5 -171.23 -54.06
REMARK 500 2 ARG A 6 -178.38 -66.69
REMARK 500 2 LYS A 8 -40.80 -141.22
REMARK 500 2 GLU A 9 98.38 -59.43
REMARK 500 2 GLU A 35 33.46 -142.48
REMARK 500 2 ALA A 36 -70.07 -99.66
REMARK 500 2 ASN A 43 -43.58 -163.01
REMARK 500 2 HIS A 53 37.84 74.54
REMARK 500 2 LYS A 72 -69.05 -104.30
REMARK 500 2 PHE A 73 -83.52 -133.05
REMARK 500 2 LYS A 96 -43.66 -171.53
REMARK 500 2 SER A 98 160.36 62.64
REMARK 500 3 LYS A 8 -40.90 -141.12
REMARK 500 3 GLU A 9 97.68 -58.34
REMARK 500 3 CYS A 12 136.20 -39.19
REMARK 500 3 GLU A 35 36.08 -145.59
REMARK 500 3 ALA A 36 -65.79 -104.58
REMARK 500 3 LYS A 44 147.26 -172.48
REMARK 500 3 HIS A 53 39.14 74.61
REMARK 500 3 LYS A 72 -67.67 -101.28
REMARK 500 3 PHE A 73 -85.35 -132.55
REMARK 500 3 LYS A 96 -36.76 179.70
REMARK 500 4 LYS A 8 -38.38 -140.60
REMARK 500 4 ASN A 43 -32.39 168.93
REMARK 500 4 HIS A 53 40.71 70.69
REMARK 500 4 LYS A 72 -67.60 -104.00
REMARK 500 4 PHE A 73 -75.64 -132.83
REMARK 500 4 VAL A 95 98.49 -56.53
REMARK 500 5 ARG A 6 -177.35 -64.43
REMARK 500 5 GLN A 7 -71.30 -115.14
REMARK 500 5 GLU A 35 31.41 -144.04
REMARK 500 5 ALA A 36 -62.89 -106.35
REMARK 500 5 ASN A 43 -33.86 171.22
REMARK 500 5 HIS A 53 40.21 72.19
REMARK 500 5 LYS A 72 -66.70 -93.44
REMARK 500 5 PHE A 73 -52.48 -133.09
REMARK 500 5 LYS A 96 -43.02 -163.94
REMARK 500 5 ALA A 97 102.82 -42.04
REMARK 500 6 GLN A 7 -126.30 -60.62
REMARK 500 6 ASN A 43 82.30 40.54
REMARK 500
REMARK 500 THIS ENTRY HAS 172 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1KHC RELATED DB: PDB
REMARK 900 DNA METHYLTRANSFERASE, DNMT3B
REMARK 900 RELATED ID: 1H3Z RELATED DB: PDB
REMARK 900 S. POMBE PROTEIN SPBC215.07C
REMARK 900 RELATED ID: 6541 RELATED DB: BMRB
REMARK 900 S. POMBE PROTEIN SPBC215.07C
DBREF 1RI0 A 1 100 UNP P51858 HDGF_HUMAN 1 100
SEQADV 1RI0 MET A -9 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -8 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -7 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -6 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -5 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -4 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 HIS A -3 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 ALA A -2 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 MET A -1 UNP P51858 EXPRESSION TAG
SEQADV 1RI0 ALA A 0 UNP P51858 EXPRESSION TAG
SEQRES 1 A 110 MET HIS HIS HIS HIS HIS HIS ALA MET ALA MET SER ARG
SEQRES 2 A 110 SER ASN ARG GLN LYS GLU TYR LYS CYS GLY ASP LEU VAL
SEQRES 3 A 110 PHE ALA LYS MET LYS GLY TYR PRO HIS TRP PRO ALA ARG
SEQRES 4 A 110 ILE ASP GLU MET PRO GLU ALA ALA VAL LYS SER THR ALA
SEQRES 5 A 110 ASN LYS TYR GLN VAL PHE PHE PHE GLY THR HIS GLU THR
SEQRES 6 A 110 ALA PHE LEU GLY PRO LYS ASP LEU PHE PRO TYR GLU GLU
SEQRES 7 A 110 SER LYS GLU LYS PHE GLY LYS PRO ASN LYS ARG LYS GLY
SEQRES 8 A 110 PHE SER GLU GLY LEU TRP GLU ILE GLU ASN ASN PRO THR
SEQRES 9 A 110 VAL LYS ALA SER GLY TYR
HELIX 1 1 TYR A 66 LYS A 72 1 7
HELIX 2 2 LYS A 80 GLU A 90 1 11
SHEET 1 A 5 GLU A 54 LEU A 58 0
SHEET 2 A 5 TYR A 45 PHE A 49 -1 N PHE A 49 O GLU A 54
SHEET 3 A 5 TYR A 23 ASP A 31 -1 N ARG A 29 O PHE A 48
SHEET 4 A 5 LEU A 15 MET A 20 -1 N ALA A 18 O TRP A 26
SHEET 5 A 5 LEU A 63 PHE A 64 -1 O PHE A 64 N PHE A 17
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