Header list of 1aca.pdb file
Complete list - v 29 2 Bytes
HEADER ACYL-COENZYME A BINDING PROTEIN 17-NOV-92 1ACA
TITLE THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A
TITLE 2 BINDING PROTEIN AND PALMITOYL-COENZYME A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACYL-COENZYME A BINDING PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913;
SOURCE 5 ORGAN: LIVER;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS ACYL-COENZYME A BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR B.B.KRAGELUND,K.V.ANDERSEN,J.C.MADSEN,J.KNUDSEN,F.M.POULSEN
REVDAT 6 29-NOV-17 1ACA 1 HELIX
REVDAT 5 23-MAY-12 1ACA 1 REVDAT VERSN
REVDAT 4 19-MAY-09 1ACA 1 REMARK
REVDAT 3 24-FEB-09 1ACA 1 VERSN
REVDAT 2 30-APR-94 1ACA 1 HET FORMUL HETATM
REVDAT 1 31-JAN-94 1ACA 0
JRNL AUTH B.B.KRAGELUND,K.V.ANDERSEN,J.C.MADSEN,J.KNUDSEN,F.M.POULSEN
JRNL TITL THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN
JRNL TITL 2 ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A.
JRNL REF J.MOL.BIOL. V. 230 1260 1993
JRNL REFN ISSN 0022-2836
JRNL PMID 8503960
JRNL DOI 10.1006/JMBI.1993.1240
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH K.V.ANDERSEN,F.M.POULSEN
REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF ACYL-COENZYME A
REMARK 1 TITL 2 BINDING PROTEIN FROM BOVINE LIVER
REMARK 1 REF J.MOL.BIOL. V. 226 1131 1992
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 2
REMARK 1 AUTH K.V.ANDERSEN,S.LUDVIGSEN,S.MANDRUP,J.KNUDSEN,F.M.POULSEN
REMARK 1 TITL THE SECONDARY STRUCTURE IN SOLUTION OF ACYL-COENZYME A
REMARK 1 TITL 2 BINDING PROTEIN FROM BOVINE LIVER USING 1H NUCLEAR MAGNETIC
REMARK 1 TITL 3 RESONANCE SPECTROSCOPY
REMARK 1 REF BIOCHEMISTRY V. 30 10654 1991
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 3
REMARK 1 AUTH J.MIKKELSEN,P.HOJRUP,P.F.NIELSEN,P.ROEPSTORFF,J.KNUDSEN
REMARK 1 TITL AMINO ACID SEQUENCE OF ACYL-COA-BINDING PROTEIN FROM COW
REMARK 1 TITL 2 LIVER
REMARK 1 REF BIOCHEM.J. V. 245 857 1987
REMARK 1 REFN ISSN 0264-6021
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER (X-PLOR), GUNTERT (DIANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE THERMAL PARAMETERS GIVEN IN THIS
REMARK 3 ENTRY REPRESENT THE ATOMIC RMS DEVIATION OF THE INDIVIDUAL
REMARK 3 STRUCTURES ABOUT THE MEAN COORDINATE POSITIONS CALCULATED BY
REMARK 3 FITTING C, N, AND CA ATOMS OF THE HELICES. THE ATOMS USED FOR
REMARK 3 FITTING ARE INDICATED BY OCCUPANCIES EQUAL TO 1.00.
REMARK 4
REMARK 4 1ACA 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_1000170647.
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 : 20
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 2 HIS A 14 CG HIS A 14 ND1 -0.091
REMARK 500 15 GLU A 78 CB GLU A 78 CG 0.118
REMARK 500 16 GLN A 2 CB GLN A 2 CG 0.193
REMARK 500 18 ALA A 3 CA ALA A 3 CB -0.149
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 1 ASP A 21 CB - CG - OD1 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 TYR A 31 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 1 GLU A 42 CA - CB - CG ANGL. DEV. = -13.7 DEGREES
REMARK 500 1 ARG A 43 NH1 - CZ - NH2 ANGL. DEV. = 6.9 DEGREES
REMARK 500 1 ARG A 43 NE - CZ - NH2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 PRO A 44 C - N - CA ANGL. DEV. = 9.7 DEGREES
REMARK 500 1 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.7 DEGREES
REMARK 500 1 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 1 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 1 TRP A 58 CG - CD1 - NE1 ANGL. DEV. = -8.9 DEGREES
REMARK 500 1 TRP A 58 CD1 - NE1 - CE2 ANGL. DEV. = 9.2 DEGREES
REMARK 500 1 TRP A 58 NE1 - CE2 - CZ2 ANGL. DEV. = 7.9 DEGREES
REMARK 500 1 TRP A 58 NE1 - CE2 - CD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 TYR A 73 CB - CG - CD1 ANGL. DEV. = -4.3 DEGREES
REMARK 500 2 TYR A 31 CB - CG - CD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 2 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.8 DEGREES
REMARK 500 2 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.7 DEGREES
REMARK 500 2 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 6.9 DEGREES
REMARK 500 2 TRP A 58 CG - CD1 - NE1 ANGL. DEV. = -7.7 DEGREES
REMARK 500 2 TRP A 58 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES
REMARK 500 2 TRP A 58 NE1 - CE2 - CZ2 ANGL. DEV. = 7.1 DEGREES
REMARK 500 2 ASP A 75 N - CA - CB ANGL. DEV. = -11.4 DEGREES
REMARK 500 2 TYR A 84 CA - CB - CG ANGL. DEV. = -17.6 DEGREES
REMARK 500 3 ARG A 43 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 3 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.6 DEGREES
REMARK 500 3 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 3 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 6.8 DEGREES
REMARK 500 3 TRP A 58 CG - CD1 - NE1 ANGL. DEV. = -8.2 DEGREES
REMARK 500 3 TRP A 58 CD1 - NE1 - CE2 ANGL. DEV. = 7.7 DEGREES
REMARK 500 3 ASP A 68 CB - CG - OD2 ANGL. DEV. = -8.0 DEGREES
REMARK 500 3 GLU A 79 OE1 - CD - OE2 ANGL. DEV. = 7.4 DEGREES
REMARK 500 4 PHE A 5 N - CA - CB ANGL. DEV. = -11.7 DEGREES
REMARK 500 4 THR A 17 N - CA - C ANGL. DEV. = 22.2 DEGREES
REMARK 500 4 ARG A 43 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 4 PRO A 44 N - CA - C ANGL. DEV. = 20.4 DEGREES
REMARK 500 4 ASP A 48 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 4 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.9 DEGREES
REMARK 500 4 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 4 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.1 DEGREES
REMARK 500 4 TRP A 58 CG - CD1 - NE1 ANGL. DEV. = -8.3 DEGREES
REMARK 500 4 TRP A 58 CD1 - NE1 - CE2 ANGL. DEV. = 7.5 DEGREES
REMARK 500 4 GLU A 67 N - CA - CB ANGL. DEV. = -10.8 DEGREES
REMARK 500 4 LYS A 71 N - CA - CB ANGL. DEV. = -11.1 DEGREES
REMARK 500 4 LYS A 82 N - CA - CB ANGL. DEV. = -12.2 DEGREES
REMARK 500 4 TYR A 84 CA - CB - CG ANGL. DEV. = -12.2 DEGREES
REMARK 500 5 ALA A 3 N - CA - CB ANGL. DEV. = -10.1 DEGREES
REMARK 500 5 HIS A 30 CA - CB - CG ANGL. DEV. = -11.5 DEGREES
REMARK 500 5 TYR A 31 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 5 ASP A 38 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 5 ARG A 43 NH1 - CZ - NH2 ANGL. DEV. = 6.9 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 239 ANGLE DEVIATIONS.
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 GLN A 2 -149.48 -126.36
REMARK 500 1 ALA A 9 -7.83 -54.59
REMARK 500 1 LYS A 16 -13.01 -49.64
REMARK 500 1 LYS A 18 100.67 -33.46
REMARK 500 1 LEU A 25 -64.81 -29.47
REMARK 500 1 VAL A 36 -72.35 -78.70
REMARK 500 1 ASP A 38 78.30 -14.82
REMARK 500 1 ILE A 39 115.76 -8.00
REMARK 500 1 PRO A 44 136.68 -16.67
REMARK 500 1 MET A 46 -31.59 -15.50
REMARK 500 1 ASP A 48 -77.18 -15.71
REMARK 500 1 LYS A 62 127.66 -33.22
REMARK 500 1 LYS A 66 -39.18 -34.11
REMARK 500 2 GLN A 2 31.50 28.31
REMARK 500 2 ALA A 3 52.77 -5.24
REMARK 500 2 ALA A 9 7.73 -53.63
REMARK 500 2 LEU A 15 88.06 -55.20
REMARK 500 2 LYS A 16 -44.24 -14.64
REMARK 500 2 LYS A 18 96.00 -23.12
REMARK 500 2 PRO A 19 172.23 -55.58
REMARK 500 2 VAL A 36 -71.06 -80.46
REMARK 500 2 PRO A 44 157.34 -41.19
REMARK 500 2 MET A 46 -61.09 -99.01
REMARK 500 2 ASP A 48 -61.48 -8.10
REMARK 500 2 LYS A 50 -8.25 -54.67
REMARK 500 2 ALA A 53 -53.57 -23.28
REMARK 500 2 ASP A 56 -36.29 -34.84
REMARK 500 2 LYS A 66 -53.88 -14.69
REMARK 500 2 LYS A 71 -46.41 -25.20
REMARK 500 2 ILE A 74 -72.14 -47.27
REMARK 500 2 LYS A 81 -38.70 -31.98
REMARK 500 3 ALA A 3 51.69 -5.87
REMARK 500 3 ALA A 9 -19.49 -49.14
REMARK 500 3 LYS A 16 -30.90 -19.39
REMARK 500 3 LYS A 18 103.11 -27.98
REMARK 500 3 VAL A 36 -74.05 -79.73
REMARK 500 3 PRO A 44 169.84 -28.38
REMARK 500 3 LEU A 47 72.65 -104.59
REMARK 500 3 ASP A 48 -78.54 -22.06
REMARK 500 3 LYS A 50 -19.03 -49.38
REMARK 500 3 ALA A 53 -67.22 -21.30
REMARK 500 3 LYS A 62 -65.53 -13.04
REMARK 500 3 LYS A 81 -36.64 -25.96
REMARK 500 4 LYS A 18 85.19 -14.48
REMARK 500 4 PRO A 19 174.36 -52.94
REMARK 500 4 ASP A 21 -39.60 -37.33
REMARK 500 4 VAL A 36 -72.25 -78.99
REMARK 500 4 PRO A 44 162.77 -26.06
REMARK 500 4 ASP A 48 -84.34 -34.33
REMARK 500 4 LYS A 62 -58.64 -12.34
REMARK 500
REMARK 500 THIS ENTRY HAS 258 RAMACHANDRAN OUTLIERS.
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 1 ARG A 43 0.21 SIDE CHAIN
REMARK 500 2 ARG A 43 0.22 SIDE CHAIN
REMARK 500 3 ARG A 43 0.23 SIDE CHAIN
REMARK 500 4 ARG A 43 0.19 SIDE CHAIN
REMARK 500 5 ARG A 43 0.29 SIDE CHAIN
REMARK 500 6 ARG A 43 0.25 SIDE CHAIN
REMARK 500 7 ARG A 43 0.27 SIDE CHAIN
REMARK 500 8 ARG A 43 0.26 SIDE CHAIN
REMARK 500 9 ARG A 43 0.25 SIDE CHAIN
REMARK 500 10 ARG A 43 0.24 SIDE CHAIN
REMARK 500 11 ARG A 43 0.26 SIDE CHAIN
REMARK 500 12 ARG A 43 0.20 SIDE CHAIN
REMARK 500 13 ARG A 43 0.29 SIDE CHAIN
REMARK 500 14 ARG A 43 0.16 SIDE CHAIN
REMARK 500 15 ARG A 43 0.18 SIDE CHAIN
REMARK 500 16 ARG A 43 0.22 SIDE CHAIN
REMARK 500 17 ARG A 43 0.26 SIDE CHAIN
REMARK 500 18 ARG A 43 0.14 SIDE CHAIN
REMARK 500 19 ARG A 43 0.31 SIDE CHAIN
REMARK 500 20 ARG A 43 0.30 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 COA A 87
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PLM A 88
DBREF 1ACA A 1 86 UNP P07107 ACBP_BOVIN 1 86
SEQRES 1 A 86 SER GLN ALA GLU PHE ASP LYS ALA ALA GLU GLU VAL LYS
SEQRES 2 A 86 HIS LEU LYS THR LYS PRO ALA ASP GLU GLU MET LEU PHE
SEQRES 3 A 86 ILE TYR SER HIS TYR LYS GLN ALA THR VAL GLY ASP ILE
SEQRES 4 A 86 ASN THR GLU ARG PRO GLY MET LEU ASP PHE LYS GLY LYS
SEQRES 5 A 86 ALA LYS TRP ASP ALA TRP ASN GLU LEU LYS GLY THR SER
SEQRES 6 A 86 LYS GLU ASP ALA MET LYS ALA TYR ILE ASP LYS VAL GLU
SEQRES 7 A 86 GLU LEU LYS LYS LYS TYR GLY ILE
HET COA A 87 79
HET PLM A 88 48
HETNAM COA COENZYME A
HETNAM PLM PALMITIC ACID
FORMUL 2 COA C21 H36 N7 O16 P3 S
FORMUL 3 PLM C16 H32 O2
HELIX 1 AC1 ALA A 3 LEU A 15 1ALPHA-HELIX 13
HELIX 2 AC2 ALA A 20 VAL A 36 1ALPHA-HELIX 17
HELIX 3 AC3 GLY A 51 LYS A 62 1ALPHA-HELIX 12
HELIX 4 AC4 SER A 65 TYR A 84 1ALPHA-HELIX 20
LINK S1P COA A 87 C1 PLM A 88 1555 1555 1.82
SITE 1 AC1 11 ALA A 9 VAL A 12 LYS A 13 LYS A 18
SITE 2 AC1 11 MET A 24 TYR A 28 TYR A 31 LYS A 32
SITE 3 AC1 11 LYS A 50 LYS A 54 PLM A 88
SITE 1 AC2 12 VAL A 12 LYS A 18 PRO A 19 ASP A 21
SITE 2 AC2 12 MET A 24 LEU A 25 ILE A 27 TYR A 28
SITE 3 AC2 12 LYS A 50 ALA A 53 LYS A 54 COA A 87
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 - v 29 2 Bytes