Header list of 1pcn.pdb file
Complete list - 29 201 Bytes
HEADER LIPASE PROTEIN COFACTOR 08-JUN-94 1PCN
TITLE SOLUTION STRUCTURE OF PORCINE PANCREATIC PROCOLIPASE AS DETERMINED
TITLE 2 FROM 1H HOMONUCLEAR TWO-AND THREE-DIMENSIONAL NMR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PORCINE PANCREATIC PROCOLIPASE B;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA;
SOURCE 3 ORGANISM_COMMON: PIG;
SOURCE 4 ORGANISM_TAXID: 9823;
SOURCE 5 ORGAN: PANCREAS
KEYWDS LIPASE PROTEIN COFACTOR
EXPDTA SOLUTION NMR
AUTHOR J.N.BREG,L.SARDA,P.J.COZZONE,N.RUGANI,R.BOELENS,R.KAPTEIN
REVDAT 3 29-NOV-17 1PCN 1 REMARK HELIX
REVDAT 2 24-FEB-09 1PCN 1 VERSN
REVDAT 1 20-DEC-94 1PCN 0
JRNL AUTH J.N.BREG,L.SARDA,P.J.COZZONE,N.RUGANI,R.BOELENS,R.KAPTEIN
JRNL TITL SOLUTION STRUCTURE OF PORCINE PANCREATIC PROCOLIPASE AS
JRNL TITL 2 DETERMINED FROM 1H HOMONUCLEAR TWO-DIMENSIONAL AND
JRNL TITL 3 THREE-DIMENSIONAL NMR.
JRNL REF EUR.J.BIOCHEM. V. 227 663 1995
JRNL REFN ISSN 0014-2956
JRNL PMID 7867624
JRNL DOI 10.1111/J.1432-1033.1995.TB20186.X
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.N.BREG,E.C.UJAH,L.SARDA,P.J.COZZONE,R.KAPTEIN
REMARK 1 TITL A PROTEIN FOLD ELEMENT COMPRISING A TRIPLE-STRAND B-SHEET
REMARK 1 TITL 2 AND TWO DISULPHIDE BRIDGES RECOGNIZED IN PROCOLIPASE AND
REMARK 1 TITL 3 OTHER UNRELATED PROTEINS
REMARK 1 REF TO BE PUBLISHED
REMARK 1 REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1PCN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000175604.
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 : 1
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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 GLU A 13 CD GLU A 13 OE2 0.106
REMARK 500 GLU A 15 CD GLU A 15 OE2 0.107
REMARK 500 GLU A 45 CD GLU A 45 OE1 0.108
REMARK 500 GLU A 48 CD GLU A 48 OE1 0.107
REMARK 500 GLU A 64 CD GLU A 64 OE1 0.109
REMARK 500 GLU A 70 CD GLU A 70 OE2 0.112
REMARK 500
REMARK 500 REMARK: NULL
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 PRO A 2 N - CA - C ANGL. DEV. = 25.3 DEGREES
REMARK 500 ASP A 3 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES
REMARK 500 ARG A 5 N - CA - CB ANGL. DEV. = 14.8 DEGREES
REMARK 500 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 ASP A 12 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 HIS A 30 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 ASP A 31 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES
REMARK 500 ASP A 31 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES
REMARK 500 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 ALA A 40 N - CA - CB ANGL. DEV. = -8.5 DEGREES
REMARK 500 ARG A 44 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 TYR A 58 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 LYS A 60 CD - CE - NZ ANGL. DEV. = 20.3 DEGREES
REMARK 500 ARG A 65 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 ASP A 72 CB - CG - OD1 ANGL. DEV. = -5.8 DEGREES
REMARK 500 HIS A 88 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES
REMARK 500 ARG A 92 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 SER A 93 N - CA - CB ANGL. DEV. = 18.6 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 PRO A 2 52.47 -26.78
REMARK 500 ASP A 3 154.46 76.98
REMARK 500 ILE A 9 -163.42 -122.39
REMARK 500 ASN A 10 79.58 86.91
REMARK 500 LEU A 18 -74.11 -88.96
REMARK 500 ASN A 26 84.08 -69.88
REMARK 500 CYS A 27 77.29 -161.34
REMARK 500 ASP A 31 38.07 -73.09
REMARK 500 THR A 32 85.13 68.36
REMARK 500 ILE A 33 -29.75 61.34
REMARK 500 SER A 35 0.24 84.90
REMARK 500 LYS A 73 -81.37 -156.80
REMARK 500 ARG A 92 -61.06 -129.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 TYR A 55 0.13 SIDE CHAIN
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 OH A 94
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1PCO RELATED DB: PDB
DBREF 1PCN A 1 93 UNP P02703 COL_PIG 1 93
SEQRES 1 A 93 VAL PRO ASP PRO ARG GLY ILE ILE ILE ASN LEU ASP GLU
SEQRES 2 A 93 GLY GLU LEU CYS LEU ASN SER ALA GLN CYS LYS SER ASN
SEQRES 3 A 93 CYS CYS GLN HIS ASP THR ILE LEU SER LEU SER ARG CYS
SEQRES 4 A 93 ALA LEU LYS ALA ARG GLU ASN SER GLU CYS SER ALA PHE
SEQRES 5 A 93 THR LEU TYR GLY VAL TYR TYR LYS CYS PRO CYS GLU ARG
SEQRES 6 A 93 GLY LEU THR CYS GLU GLY ASP LYS SER LEU VAL GLY SER
SEQRES 7 A 93 ILE THR ASN THR ASN PHE GLY ILE CYS HIS ASN VAL GLY
SEQRES 8 A 93 ARG SER
HET OH A 94 1
HETNAM OH HYDROXIDE ION
FORMUL 2 OH H O 1-
HELIX 1 1 ASN A 19 GLN A 22 5 4
SHEET 1 S1 3 GLU A 15 CYS A 17 0
SHEET 2 S1 3 SER A 37 ALA A 40 -1 O CYS A 39 N GLU A 15
SHEET 3 S1 3 CYS A 27 HIS A 30 -1 N GLN A 29 O ARG A 38
SHEET 1 S2 3 SER A 47 ALA A 51 0
SHEET 2 S2 3 ASN A 83 HIS A 88 -1 O GLY A 85 N CYS A 49
SHEET 3 S2 3 THR A 68 GLU A 70 -1 N GLU A 70 O ILE A 86
SSBOND 1 CYS A 17 CYS A 28 1555 1555 2.01
SSBOND 2 CYS A 23 CYS A 39 1555 1555 2.00
SSBOND 3 CYS A 27 CYS A 61 1555 1555 1.99
SSBOND 4 CYS A 49 CYS A 69 1555 1555 2.01
SSBOND 5 CYS A 63 CYS A 87 1555 1555 2.01
LINK C SER A 93 O OH A 94 1555 1555 1.37
SITE 1 AC1 1 SER A 93
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
Complete list - 29 201 Bytes