Header list of 1p9z.pdb file
Complete list - 25 20 Bytes
HEADER ANTIFUNGAL PROTEIN 13-MAY-03 1P9Z
TITLE THE SOLUTION STRUCTURE OF ANTIFUNGAL PEPTIDE DISTINCT WITH A FIVE-
TITLE 2 DISULFIDE MOTIF FROM EUCOMMIA ULMOIDES OLIVER
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EUCOMMIA ANTIFUNGAL PEPTIDE 2;
COMPND 3 CHAIN: A;
COMPND 4 OTHER_DETAILS: EAFP2
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: EUCOMMIA ULMOIDES;
SOURCE 3 ORGANISM_TAXID: 4392;
SOURCE 4 TISSUE: BARK
KEYWDS ANTIFUNGAL PEPTIDE, CHITIN-BINDING PEPTIDE, DISULFIDE STABILIZED
KEYWDS 2 MOTIF, ANTIFUNGAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 21
AUTHOR R.H.HUANG,Y.XIANG,G.Z.TU,Y.ZHANG,D.C.WANG
REVDAT 4 25-DEC-19 1P9Z 1 REMARK SEQRES LINK
REVDAT 3 28-APR-09 1P9Z 1 REMARK
REVDAT 2 24-FEB-09 1P9Z 1 VERSN
REVDAT 1 25-MAY-04 1P9Z 0
JRNL AUTH R.H.HUANG,Y.XIANG,G.Z.TU,Y.ZHANG,D.C.WANG
JRNL TITL SOLUTION STRUCTURE OF EUCOMMIA ANTIFUNGAL PEPTIDE: A NOVEL
JRNL TITL 2 STRUCTURAL MODEL DISTINCT WITH A FIVE-DISULFIDE MOTIF.
JRNL REF BIOCHEMISTRY V. 43 6005 2004
JRNL REFN ISSN 0006-2960
JRNL PMID 15147184
JRNL DOI 10.1021/BI036263Y
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.H.HUANG,Y.XIANG,X.Z.LIU,Y.ZHANG,Z.HU,D.C.WANG
REMARK 1 TITL TWO NOVEL ANTIFUNGAL PEPTIDES DISTINCT WITH A FIVE-DISULFIDE
REMARK 1 TITL 2 MOTIF FRON THE BARK OF EUCOMMIA ULMOIDES OLIVER
REMARK 1 REF FEBS LETT. V. 521 87 2002
REMARK 1 REFN ISSN 0014-5793
REMARK 1 DOI 10.1016/S0014-5793(02)02829-6
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, CNS 1.1
REMARK 3 AUTHORS : BRUKER CORP. (XWINNMR), BRUNGER, A.T. ETC. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 630 RESTRAINTS, 594 ARE NOE-
REMARK 3 DERIVED
REMARK 3 DISTANCE CONSTRAINTS, 16 DIHEDRAL ANGLE RESTRAINTS,20 DISTANCE
REMARK 3 RESTRAINTS
REMARK 3 FROM HYDROGEN BONDS.
REMARK 4
REMARK 4 1P9Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-03.
REMARK 100 THE DEPOSITION ID IS D_1000019193.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300; 300; 290
REMARK 210 PH : 5.6; 5.6; 5.6
REMARK 210 IONIC STRENGTH : 20 MM PHOSPATE BUFFER; 20 MM
REMARK 210 PHOSPATE BUFFER; 20 MM PHOSPATE
REMARK 210 BUFFER
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 6MM ANTIFUNGAL PEPTIDE(EAFP2);
REMARK 210 20 MM PHOSPHATE BUFFER,0.01 MM
REMARK 210 EDTA; 6MM ANTIFUNGAL
REMARK 210 PEPTIDE(EAFP2); 20 MM PHOSPHATE
REMARK 210 BUFFER, 0.01 MMEDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; 2D TOCSY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3.105, CNS 1.1
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 21
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
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: 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 THR A 2 40.21 -148.51
REMARK 500 1 ARG A 9 70.00 -115.99
REMARK 500 2 THR A 2 46.07 -148.44
REMARK 500 3 THR A 2 53.47 -152.77
REMARK 500 3 ASN A 12 -173.59 -63.93
REMARK 500 3 ASN A 34 28.32 -148.78
REMARK 500 4 THR A 2 43.57 -151.58
REMARK 500 4 ASN A 12 -170.64 -63.45
REMARK 500 4 CYS A 30 30.52 -150.65
REMARK 500 4 ASN A 34 33.83 -141.73
REMARK 500 6 THR A 2 35.88 -153.25
REMARK 500 6 ASN A 12 -170.42 -65.39
REMARK 500 6 ASN A 34 39.71 -160.06
REMARK 500 6 CYS A 39 -44.98 -131.20
REMARK 500 7 ASN A 12 -174.60 -59.48
REMARK 500 8 THR A 2 34.31 -148.79
REMARK 500 8 ASN A 34 43.96 -153.98
REMARK 500 9 ASN A 34 48.45 -152.79
REMARK 500 9 ARG A 40 30.70 -147.71
REMARK 500 10 THR A 2 45.28 -141.39
REMARK 500 10 CYS A 30 30.20 -160.08
REMARK 500 11 THR A 2 45.11 -158.80
REMARK 500 11 ALA A 32 76.16 -119.98
REMARK 500 12 THR A 2 44.11 -148.63
REMARK 500 12 ASN A 12 -171.44 -61.74
REMARK 500 12 ASN A 34 23.48 -143.28
REMARK 500 12 ARG A 40 30.93 -143.69
REMARK 500 15 ASN A 12 -171.22 -67.83
REMARK 500 17 ASN A 12 -169.69 -69.18
REMARK 500 17 CYS A 30 35.89 -152.65
REMARK 500 19 THR A 2 39.90 -144.32
REMARK 500 19 ASN A 12 -169.84 -73.74
REMARK 500 20 PRO A 8 44.21 -97.12
REMARK 500 20 ARG A 9 51.99 -143.42
REMARK 500 20 ASN A 12 -171.09 -59.63
REMARK 500 20 ASN A 34 32.94 -160.10
REMARK 500 20 ARG A 40 30.50 -162.16
REMARK 500 21 THR A 2 48.40 -140.44
REMARK 500 21 ASN A 12 -177.31 -63.90
REMARK 500 21 ASN A 34 30.58 -159.91
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 700
REMARK 700 SHEET DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5795 RELATED DB: BMRB
REMARK 900 THE CHEMICAL SHIFTS OF THE HYDROGENS
DBREF 1P9Z A 1 41 UNP P83597 EAP2_EUCUL 1 41
SEQRES 1 A 41 PCA THR CYS ALA SER ARG CYS PRO ARG PRO CYS ASN ALA
SEQRES 2 A 41 GLY LEU CYS CYS SER ILE TYR GLY TYR CYS GLY SER GLY
SEQRES 3 A 41 ALA ALA TYR CYS GLY ALA GLY ASN CYS ARG CYS GLN CYS
SEQRES 4 A 41 ARG GLY
MODRES 1P9Z PCA A 1 GLN PYROGLUTAMIC ACID
HET PCA A 1 14
HETNAM PCA PYROGLUTAMIC ACID
FORMUL 1 PCA C5 H7 N O3
HELIX 1 1 CYS A 3 ARG A 6 5 4
HELIX 2 2 GLY A 26 CYS A 30 1 5
SHEET 1 A 3 TYR A 22 GLY A 24 0
SHEET 2 A 3 CYS A 16 SER A 18 -1 O TYR A 22 N SER A 18
SHEET 3 A 3 ARG A 36 CYS A 37 -1 O CYS A 37 N CYS A 17
SSBOND 1 CYS A 3 CYS A 17 1555 1555 2.03
SSBOND 2 CYS A 7 CYS A 37 1555 1555 2.03
SSBOND 3 CYS A 11 CYS A 23 1555 1555 2.03
SSBOND 4 CYS A 16 CYS A 30 1555 1555 2.03
SSBOND 5 CYS A 35 CYS A 39 1555 1555 2.03
LINK C PCA A 1 N THR A 2 1555 1555 1.33
CISPEP 1 CYS A 7 PRO A 8 1 0.03
CISPEP 2 CYS A 7 PRO A 8 2 0.16
CISPEP 3 CYS A 7 PRO A 8 3 0.22
CISPEP 4 CYS A 7 PRO A 8 4 0.14
CISPEP 5 CYS A 7 PRO A 8 5 0.28
CISPEP 6 CYS A 7 PRO A 8 6 0.08
CISPEP 7 CYS A 7 PRO A 8 7 0.16
CISPEP 8 CYS A 7 PRO A 8 8 0.25
CISPEP 9 CYS A 7 PRO A 8 9 0.11
CISPEP 10 CYS A 7 PRO A 8 10 0.45
CISPEP 11 CYS A 7 PRO A 8 11 0.13
CISPEP 12 CYS A 7 PRO A 8 12 0.23
CISPEP 13 CYS A 7 PRO A 8 13 0.32
CISPEP 14 CYS A 7 PRO A 8 14 0.40
CISPEP 15 CYS A 7 PRO A 8 15 0.41
CISPEP 16 CYS A 7 PRO A 8 16 0.28
CISPEP 17 CYS A 7 PRO A 8 17 0.51
CISPEP 18 CYS A 7 PRO A 8 18 0.44
CISPEP 19 CYS A 7 PRO A 8 19 0.15
CISPEP 20 CYS A 7 PRO A 8 20 0.73
CISPEP 21 CYS A 7 PRO A 8 21 0.43
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 - 25 20 Bytes