Header list of 1pnb.pdb file
Complete list - 2 20 Bytes
HEADER SEED STORAGE PROTEIN 17-SEP-96 1PNB
TITLE STRUCTURE OF NAPIN BNIB, NMR, 10 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NAPIN BNIB;
COMPND 3 CHAIN: A;
COMPND 4 MOL_ID: 2;
COMPND 5 MOLECULE: NAPIN BNIB;
COMPND 6 CHAIN: B
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA NAPUS;
SOURCE 3 ORGANISM_COMMON: RAPE;
SOURCE 4 ORGANISM_TAXID: 3708;
SOURCE 5 MOL_ID: 2;
SOURCE 6 ORGANISM_SCIENTIFIC: BRASSICA NAPUS;
SOURCE 7 ORGANISM_COMMON: RAPE;
SOURCE 8 ORGANISM_TAXID: 3708
KEYWDS NAPIN IA AND IB, ALBUMIN SEED PROTEIN, SEED STORAGE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.RICO,M.BRUIX,C.GONZALEZ,R.MONSALVE,R.RODRIGUEZ
REVDAT 3 02-MAR-22 1PNB 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1PNB 1 VERSN
REVDAT 1 17-SEP-97 1PNB 0
JRNL AUTH M.RICO,M.BRUIX,C.GONZALEZ,R.I.MONSALVE,R.RODRIGUEZ
JRNL TITL 1H NMR ASSIGNMENT AND GLOBAL FOLD OF NAPIN BNIB, A
JRNL TITL 2 REPRESENTATIVE 2S ALBUMIN SEED PROTEIN.
JRNL REF BIOCHEMISTRY V. 35 15672 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8961930
JRNL DOI 10.1021/BI961748Q
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DIANA
REMARK 3 AUTHORS : WUTHRICH
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1PNB 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_1000175745.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 O ILE B 54 O ALA B 55 1.62
REMARK 500 O LEU B 30 O PRO B 71 2.09
REMARK 500 O CYS B 25 OG1 THR B 29 2.15
REMARK 500 O ASN B 60 N CYS B 62 2.17
REMARK 500 O VAL B 26 OG1 THR B 29 2.17
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 ARG A 7 -71.65 -64.75
REMARK 500 1 GLU A 12 -91.60 -75.92
REMARK 500 1 GLN A 13 71.21 174.20
REMARK 500 1 HIS A 14 113.57 -5.32
REMARK 500 1 LEU A 15 162.37 -41.34
REMARK 500 1 GLN A 19 -32.77 -35.08
REMARK 500 1 GLN A 20 -83.91 -59.13
REMARK 500 1 GLN A 25 -38.66 -39.26
REMARK 500 1 ALA A 27 166.39 -44.16
REMARK 500 1 SER A 29 88.44 -174.12
REMARK 500 1 GLN B 5 40.50 -169.38
REMARK 500 1 ASN B 16 -38.12 -38.50
REMARK 500 1 GLN B 20 -37.86 -38.57
REMARK 500 1 GLU B 21 -150.04 -90.95
REMARK 500 1 CYS B 25 66.01 -113.91
REMARK 500 1 VAL B 26 -85.44 -104.01
REMARK 500 1 VAL B 37 -79.65 -44.33
REMARK 500 1 ARG B 38 -81.31 -23.51
REMARK 500 1 VAL B 39 99.99 2.09
REMARK 500 1 GLN B 40 -96.58 -19.00
REMARK 500 1 PHE B 46 -178.70 -174.57
REMARK 500 1 SER B 48 -37.49 -38.92
REMARK 500 1 ILE B 51 -34.76 -37.84
REMARK 500 1 TYR B 52 -70.62 -53.73
REMARK 500 1 ILE B 54 -70.30 -32.27
REMARK 500 1 ALA B 55 -153.81 6.96
REMARK 500 1 LYS B 56 121.51 163.29
REMARK 500 1 ASN B 57 -46.90 -20.76
REMARK 500 1 LEU B 58 -55.59 -158.78
REMARK 500 1 ASN B 60 -59.36 151.34
REMARK 500 1 VAL B 61 -61.40 -4.82
REMARK 500 1 CYS B 62 -80.78 -129.93
REMARK 500 1 ASN B 63 44.66 131.36
REMARK 500 2 GLU A 12 -92.03 -84.00
REMARK 500 2 GLN A 13 69.00 177.43
REMARK 500 2 HIS A 14 107.63 1.13
REMARK 500 2 LEU A 15 171.46 -39.52
REMARK 500 2 GLN A 20 -74.18 -35.56
REMARK 500 2 ARG A 23 -70.64 -87.04
REMARK 500 2 GLN A 24 -34.38 -37.01
REMARK 500 2 ALA A 27 -154.40 -67.70
REMARK 500 2 TRP B 9 45.72 -142.30
REMARK 500 2 GLU B 21 -149.30 -100.24
REMARK 500 2 GLN B 23 -0.12 -54.63
REMARK 500 2 VAL B 37 -76.13 -41.50
REMARK 500 2 ARG B 38 -63.80 -10.90
REMARK 500 2 VAL B 39 100.39 3.33
REMARK 500 2 GLN B 40 -101.88 -8.88
REMARK 500 2 HIS B 43 54.95 -119.46
REMARK 500 2 GLN B 47 -27.00 177.26
REMARK 500
REMARK 500 THIS ENTRY HAS 345 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1PNB A 1 31 UNP P24565 2SSI_BRANA 1 31
DBREF 1PNB B 1 75 UNP P24565 2SSI_BRANA 32 106
SEQADV 1PNB GLN B 6 UNP P24565 GLU 37 CONFLICT
SEQRES 1 A 31 GLN PRO GLN LYS CYS GLN ARG GLU PHE GLN GLN GLU GLN
SEQRES 2 A 31 HIS LEU ARG ALA CYS GLN GLN TRP ILE ARG GLN GLN LEU
SEQRES 3 A 31 ALA GLY SER PRO PHE
SEQRES 1 B 75 GLN SER GLY PRO GLN GLN GLY PRO TRP LEU ARG GLU GLN
SEQRES 2 B 75 CYS CYS ASN GLU LEU TYR GLN GLU ASP GLN VAL CYS VAL
SEQRES 3 B 75 CYS PRO THR LEU LYS GLN ALA ALA LYS SER VAL ARG VAL
SEQRES 4 B 75 GLN GLY GLN HIS GLY PRO PHE GLN SER THR ARG ILE TYR
SEQRES 5 B 75 GLN ILE ALA LYS ASN LEU PRO ASN VAL CYS ASN MET LYS
SEQRES 6 B 75 GLN ILE GLY THR CYS PRO PHE ILE ALA ILE
HELIX 1 1 GLN A 3 GLU A 12 1 10
HELIX 2 2 ALA A 17 LEU A 26 5 10
HELIX 3 3 ARG B 11 TYR B 19 5 9
HELIX 4 4 GLN B 23 CYS B 25 5 3
HELIX 5 5 CYS B 27 ARG B 38 1 12
HELIX 6 6 GLN B 40 GLN B 42 5 3
HELIX 7 7 SER B 48 ILE B 54 1 7
SSBOND 1 CYS A 5 CYS B 25 1555 1555 1.86
SSBOND 2 CYS A 18 CYS B 14 1555 1555 1.77
SSBOND 3 CYS B 15 CYS B 62 1555 1555 2.16
SSBOND 4 CYS B 27 CYS B 70 1555 1555 1.94
CISPEP 1 LEU B 58 PRO B 59 1 0.06
CISPEP 2 LEU B 58 PRO B 59 2 0.01
CISPEP 3 LEU B 58 PRO B 59 3 -0.05
CISPEP 4 LEU B 58 PRO B 59 4 -0.07
CISPEP 5 LEU B 58 PRO B 59 5 -0.02
CISPEP 6 LEU B 58 PRO B 59 6 0.04
CISPEP 7 LEU B 58 PRO B 59 7 0.00
CISPEP 8 LEU B 58 PRO B 59 8 0.15
CISPEP 9 LEU B 58 PRO B 59 9 0.02
CISPEP 10 LEU B 58 PRO B 59 10 -0.02
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 - 2 20 Bytes