Header list of 1tz5.pdb file
Complete list - 1 20 Bytes
HEADER HORMONE/GROWTH FACTOR 09-JUL-04 1TZ5
TITLE [PNPY19-23]-HPP BOUND TO DPC MICELLES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PANCREATIC PROHORMONE,NEUROPEPTIDE Y,PANCREATIC PROHORMONE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: PANCREATIC POLYPEPTIDE,PP,PANCREATIC POLYPEPTIDE,PP;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, SUS SCROFA;
SOURCE 3 ORGANISM_COMMON: HUMAN, PIG;
SOURCE 4 ORGANISM_TAXID: 9606, 9823;
SOURCE 5 GENE: PPY, PNP, NPY;
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: PUBK19-[PNPY19-23]-HPP-G
KEYWDS NPY-PP CHIMERA, HORMONE-GROWTH FACTOR COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR M.LERCH,H.KAMIMORI,G.FOLKERS,M.I.AGUILAR,A.G.BECK-SICKINGER,O.ZERBE
REVDAT 3 01-JAN-20 1TZ5 1 COMPND SOURCE REMARK DBREF
REVDAT 3 2 1 SEQADV LINK
REVDAT 2 24-FEB-09 1TZ5 1 VERSN
REVDAT 1 05-JUL-05 1TZ5 0
JRNL AUTH M.LERCH,H.KAMIMORI,G.FOLKERS,M.I.AGUILAR,A.G.BECK-SICKINGER,
JRNL AUTH 2 O.ZERBE
JRNL TITL STRONGLY ALTERED RECEPTOR BINDING PROPERTIES IN PP AND NPY
JRNL TITL 2 CHIMERAS ARE ACCOMPANIED BY CHANGES IN STRUCTURE AND
JRNL TITL 3 MEMBRANE BINDING
JRNL REF BIOCHEMISTRY V. 44 9255 2005
JRNL REFN ISSN 0006-2960
JRNL PMID 15966750
JRNL DOI 10.1021/BI0501232
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: FURTHER REFINEMENT USING THE PROGRAM
REMARK 3 AMBER (EXPLICIT SOLVENT)
REMARK 4
REMARK 4 1TZ5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1000023044.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 2MM [PNPY19-23]-HPP; 90% H2O,
REMARK 210 10% D2O; 2MM [PNPY19-23]-HPP; 99%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 700 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.53, DYANA
REMARK 210 1.5
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS FOLLOWED
REMARK 210 BY REFINEMENT IN AMBER6
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY, STRUCTURES
REMARK 210 WITH FAVORABLE NON-BOND ENERGY,
REMARK 210 STRUCTURES WITH THE LOWEST 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 ANGLES
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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
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 ATM2 ATM3
REMARK 500 13 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 18 ARG A 35 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
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 LEU A 3 92.68 -168.12
REMARK 500 1 VAL A 6 152.87 64.36
REMARK 500 1 TYR A 7 78.99 58.92
REMARK 500 1 ASN A 11 100.55 66.43
REMARK 500 2 VAL A 6 156.63 64.70
REMARK 500 2 ASP A 10 87.77 65.56
REMARK 500 2 ALA A 12 90.64 60.16
REMARK 500 2 ARG A 35 89.10 -167.19
REMARK 500 3 GLU A 4 151.54 -46.09
REMARK 500 3 PRO A 5 1.97 -68.99
REMARK 500 3 VAL A 6 12.65 58.69
REMARK 500 3 TYR A 7 87.77 -151.38
REMARK 500 3 ASP A 10 175.77 62.12
REMARK 500 3 ASN A 11 70.11 -155.21
REMARK 500 3 THR A 13 142.23 -172.23
REMARK 500 3 ARG A 33 146.72 63.12
REMARK 500 4 LEU A 3 116.28 -161.66
REMARK 500 4 TYR A 7 77.37 51.28
REMARK 500 4 ASN A 11 -78.26 -59.29
REMARK 500 5 GLU A 4 70.60 67.73
REMARK 500 5 PRO A 5 -168.23 -69.36
REMARK 500 5 VAL A 6 154.99 -46.30
REMARK 500 5 TYR A 7 163.11 62.32
REMARK 500 5 ASP A 10 177.78 63.19
REMARK 500 5 ALA A 12 -169.92 55.43
REMARK 500 5 ARG A 35 86.79 -165.61
REMARK 500 6 TYR A 7 91.79 -27.06
REMARK 500 6 ASP A 10 79.58 39.90
REMARK 500 6 ASN A 11 77.58 57.26
REMARK 500 6 THR A 13 103.72 -52.89
REMARK 500 6 ARG A 35 -39.71 -164.32
REMARK 500 7 LEU A 3 138.74 66.17
REMARK 500 7 VAL A 6 152.58 64.14
REMARK 500 7 TYR A 7 87.08 54.19
REMARK 500 7 ARG A 35 -75.63 161.01
REMARK 500 8 PRO A 5 -173.63 -69.53
REMARK 500 8 TYR A 7 86.90 -153.05
REMARK 500 8 ASP A 10 168.66 68.47
REMARK 500 8 THR A 13 155.51 84.96
REMARK 500 8 THR A 32 30.02 -93.23
REMARK 500 8 ARG A 35 87.46 -163.64
REMARK 500 9 GLU A 15 4.70 55.73
REMARK 500 9 ARG A 35 84.48 -173.52
REMARK 500 10 GLU A 4 169.18 59.85
REMARK 500 10 ASN A 11 73.09 -172.06
REMARK 500 10 ALA A 12 107.53 69.76
REMARK 500 10 ARG A 33 -60.21 -175.99
REMARK 500 10 ARG A 35 -30.73 165.22
REMARK 500 11 ASN A 11 119.19 65.98
REMARK 500 11 ALA A 12 -170.40 -64.98
REMARK 500
REMARK 500 THIS ENTRY HAS 89 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 NH2 A 37
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LJV RELATED DB: PDB
REMARK 900 BPP BOUND TO DPC MICELLES
REMARK 900 RELATED ID: 1F8P RELATED DB: PDB
REMARK 900 PNPY BOUND TO DPC MICELLES
REMARK 900 RELATED ID: 1TZ4 RELATED DB: PDB
REMARK 900 [HPP19-23]-PNPY BOUND TO DPC MICELLES
DBREF 1TZ5 A 1 18 UNP P01298 PAHO_HUMAN 30 47
DBREF 1TZ5 A 19 23 UNP P01304 NPY_PIG 28 32
DBREF 1TZ5 A 24 36 UNP P01298 PAHO_HUMAN 53 65
SEQADV 1TZ5 NH2 A 37 UNP P01298 AMIDATION
SEQRES 1 A 37 ALA PRO LEU GLU PRO VAL TYR PRO GLY ASP ASN ALA THR
SEQRES 2 A 37 PRO GLU GLN MET ALA ARG TYR TYR SER ALA LEU ARG ARG
SEQRES 3 A 37 TYR ILE ASN MET LEU THR ARG PRO ARG TYR NH2
HET NH2 A 37 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
HELIX 1 1 THR A 13 THR A 32 1 20
LINK C TYR A 36 N NH2 A 37 1555 1555 1.32
SITE 1 AC1 1 TYR A 36
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 - 1 20 Bytes