Header list of 1j6y.pdb file
Complete list - b 23 2 Bytes
HEADER ISOMERASE 15-MAY-01 1J6Y
TITLE SOLUTION STRUCTURE OF PIN1AT FROM ARABIDOPSIS THALIANA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;
SOURCE 3 ORGANISM_COMMON: THALE CRESS;
SOURCE 4 ORGANISM_TAXID: 3702;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS PROLYL CIS/TRANS ISOMERASE, PARVULIN, PIN1, PHOSPHORYLATION,
KEYWDS 2 ISOMERASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR I.LANDRIEU,J.M.WIERUSZESKI,R.WINTJENS,D.INZE,G.LIPPENS
REVDAT 6 23-FEB-22 1J6Y 1 REMARK SEQADV
REVDAT 5 09-JUN-09 1J6Y 1 REVDAT
REVDAT 4 21-APR-09 1J6Y 1 REMARK
REVDAT 3 24-FEB-09 1J6Y 1 VERSN
REVDAT 2 03-FEB-09 1J6Y 1 MODEL
REVDAT 1 07-AUG-02 1J6Y 0
JRNL AUTH I.LANDRIEU,J.M.WIERUSZESKI,R.WINTJENS,D.INZE,G.LIPPENS
JRNL TITL SOLUTION STRUCTURE OF THE SINGLE-DOMAIN PROLYL CIS/TRANS
JRNL TITL 2 ISOMERASE PIN1AT FROM ARABIDOPSIS THALIANA
JRNL REF J.MOL.BIOL. V. 320 321 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12079389
JRNL DOI 10.1016/S0022-2836(02)00429-1
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH I.LANDRIEU,J.M.WIERUSZESKI,B.ODAERT,D.INZE,S.GRZESIEK,
REMARK 1 AUTH 2 G.LIPPENS
REMARK 1 TITL LETTER TO THE EDITOR : SEQUENCE-SPECIFIC 1H, 13C AND 15N
REMARK 1 TITL 2 CHEMICAL SHIFT BACKBONE NMR ASSIGMENT AND SECONDARY
REMARK 1 TITL 3 STRUCTURE OF THE ARABIDOPSIS THALIANA PIN1AT PROTEIN
REMARK 1 REF J.BIOMOL.NMR V. 17 271 2000
REMARK 1 REFN ISSN 0925-2738
REMARK 1 DOI 10.1023/A:1008375707703
REMARK 1 REFERENCE 2
REMARK 1 AUTH I.LANDRIEU,L.DE VEYLDER,J.-S.FRUCHART,B.ODAERT,P.CASTEELS,
REMARK 1 AUTH 2 D.PORTETELLE,M.VAN MONTAGU,D.INZE,G.LIPPENS
REMARK 1 TITL THE ARABIDOPSIS THALIANA PIN1AT GENE ENCODES A SINGLE-DOMAIN
REMARK 1 TITL 2 PHOSPHORYLATION-DEPENDENT PEPTIDYL PROLYL CIS/TRANS
REMARK 1 TITL 3 ISOMERASE
REMARK 1 REF J.BIOL.CHEM. V. 275 10577 2000
REMARK 1 REFN ISSN 0021-9258
REMARK 1 DOI 10.1074/JBC.275.14.10577
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851, X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER,A.T. (X-PLOR), BRUNGER,A.T. (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1J6Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-01.
REMARK 100 THE DEPOSITION ID IS D_1000013436.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.3
REMARK 210 IONIC STRENGTH : 100 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.7 MM PIN1AT 50 MM DEUTERATED
REMARK 210 TRIS-HCL PH6.3 100 MM NACL 1 MM
REMARK 210 DITHIOTHREITOL 1MM
REMARK 210 PHENYLMETHYLSULFONYL FLUORIDE
REMARK 210 0.5 MM EDTA; 0.7 MM PIN1AT U-
REMARK 210 15N50 MM DEUTERATED TRIS-HCL
REMARK 210 PH6.3 100 MM NACL 1 MM
REMARK 210 DITHIOTHREITOL 1MM
REMARK 210 PHENYLMETHYLSULFONYL FLUORIDE
REMARK 210 0.5 MM EDTA; 0.7 MM PIN1AT U-15N,
REMARK 210 13C 50 MM DEUTERATED TRIS-HCL
REMARK 210 PH6.3 100 MM NACL 1 MM
REMARK 210 DITHIOTHREITOL 1MM
REMARK 210 PHENYLMETHYLSULFONYL FLUORIDE
REMARK 210 0.5 MM EDTA; 0.7 MM PIN1AT U-13C
REMARK 210 50 MM DEUTERATED TRIS-HCL PH6.3
REMARK 210 100 MM NACL 1 MM DITHIOTHREITOL
REMARK 210 1MM PHENYLMETHYLSULFONYL
REMARK 210 FLUORIDE 0.5 MM EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_TOCSY; 3D HBHA(CO)NH;
REMARK 210 3D CBCANH; 3D CBCA(CO)NH
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SNARF 0.8.9
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 150
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS,STRUCTURES WITH THE
REMARK 210 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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-20
REMARK 465 RES C SSSEQI
REMARK 465 MET A -18
REMARK 465 GLY A -17
REMARK 465 SER A -16
REMARK 465 SER A -15
REMARK 465 HIS A -14
REMARK 465 HIS A -13
REMARK 465 HIS A -12
REMARK 465 HIS A -11
REMARK 465 HIS A -10
REMARK 465 HIS A -9
REMARK 465 SER A -8
REMARK 465 SER A -7
REMARK 465 GLY A -6
REMARK 465 LEU A -5
REMARK 465 VAL A -4
REMARK 465 PRO A -3
REMARK 465 ARG A -2
REMARK 465 GLY A -1
REMARK 465 SER A 0
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 THR A 38 H ALA A 42 1.51
REMARK 500 O ASP A 69 H ALA A 73 1.51
REMARK 500 O VAL A 107 H HIS A 114 1.55
REMARK 500 O PHE A 60 H ALA A 64 1.57
REMARK 500 O GLY A 56 H ALA A 58 1.58
REMARK 500 O SER A 48 H ASP A 52 1.59
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 SER A 4 -158.42 -131.94
REMARK 500 1 ASP A 6 -77.23 -163.18
REMARK 500 1 GLN A 7 154.23 -37.27
REMARK 500 1 ALA A 10 166.12 172.11
REMARK 500 1 HIS A 17 -167.34 -165.69
REMARK 500 1 ARG A 21 -78.55 -144.64
REMARK 500 1 ARG A 22 -81.52 -133.97
REMARK 500 1 LYS A 23 -47.11 -140.14
REMARK 500 1 ALA A 24 32.31 176.19
REMARK 500 1 THR A 36 -156.98 -155.88
REMARK 500 1 ARG A 39 -77.90 -40.05
REMARK 500 1 LYS A 57 53.11 -69.45
REMARK 500 1 ALA A 58 -155.28 -57.71
REMARK 500 1 PHE A 60 -53.77 -173.03
REMARK 500 1 GLU A 61 -81.63 -44.87
REMARK 500 1 ARG A 66 -65.01 -90.44
REMARK 500 1 ARG A 75 53.38 -118.50
REMARK 500 1 PHE A 82 104.27 -171.76
REMARK 500 1 GLN A 86 178.68 55.46
REMARK 500 1 MET A 87 -156.48 43.71
REMARK 500 1 GLN A 88 -141.54 -167.81
REMARK 500 1 PRO A 90 -81.71 -67.65
REMARK 500 1 LYS A 99 67.23 -164.91
REMARK 500 1 VAL A 100 131.41 60.25
REMARK 500 1 SER A 104 148.17 61.24
REMARK 500 1 ILE A 106 108.53 64.58
REMARK 500 1 THR A 109 -170.39 -175.05
REMARK 500 1 ASP A 110 -94.26 51.67
REMARK 500 1 LYS A 117 113.15 -172.20
REMARK 500 1 ARG A 118 -100.82 -98.33
REMARK 500 1 THR A 119 -93.75 -64.22
REMARK 500 2 MET A 2 -74.52 -98.96
REMARK 500 2 ALA A 3 78.41 42.85
REMARK 500 2 SER A 4 169.88 53.22
REMARK 500 2 ARG A 5 -152.83 -85.05
REMARK 500 2 ASP A 6 -71.84 -126.07
REMARK 500 2 GLN A 7 -175.65 46.57
REMARK 500 2 ALA A 10 170.33 170.86
REMARK 500 2 HIS A 12 149.89 -170.16
REMARK 500 2 GLN A 18 -83.74 -53.61
REMARK 500 2 ARG A 21 -140.17 55.77
REMARK 500 2 LYS A 23 -78.39 59.13
REMARK 500 2 ALA A 24 86.04 172.16
REMARK 500 2 SER A 25 71.04 52.33
REMARK 500 2 ASP A 28 -68.51 -132.75
REMARK 500 2 GLU A 30 74.29 -118.96
REMARK 500 2 LYS A 32 106.83 54.74
REMARK 500 2 ILE A 33 -151.71 53.10
REMARK 500 2 ILE A 34 83.85 55.50
REMARK 500 2 THR A 36 -84.11 -134.47
REMARK 500
REMARK 500 THIS ENTRY HAS 715 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 5 0.30 SIDE CHAIN
REMARK 500 1 ARG A 21 0.20 SIDE CHAIN
REMARK 500 1 ARG A 22 0.29 SIDE CHAIN
REMARK 500 1 ARG A 39 0.31 SIDE CHAIN
REMARK 500 1 ARG A 50 0.21 SIDE CHAIN
REMARK 500 1 ARG A 66 0.32 SIDE CHAIN
REMARK 500 1 ARG A 75 0.29 SIDE CHAIN
REMARK 500 1 ARG A 84 0.21 SIDE CHAIN
REMARK 500 1 ARG A 118 0.12 SIDE CHAIN
REMARK 500 2 ARG A 5 0.21 SIDE CHAIN
REMARK 500 2 ARG A 21 0.27 SIDE CHAIN
REMARK 500 2 ARG A 22 0.09 SIDE CHAIN
REMARK 500 2 ARG A 39 0.30 SIDE CHAIN
REMARK 500 2 ARG A 50 0.30 SIDE CHAIN
REMARK 500 2 ARG A 75 0.31 SIDE CHAIN
REMARK 500 2 ARG A 84 0.28 SIDE CHAIN
REMARK 500 2 ARG A 118 0.32 SIDE CHAIN
REMARK 500 3 ARG A 5 0.32 SIDE CHAIN
REMARK 500 3 ARG A 21 0.23 SIDE CHAIN
REMARK 500 3 ARG A 22 0.20 SIDE CHAIN
REMARK 500 3 ARG A 39 0.19 SIDE CHAIN
REMARK 500 3 ARG A 50 0.27 SIDE CHAIN
REMARK 500 3 ARG A 66 0.26 SIDE CHAIN
REMARK 500 3 ARG A 75 0.21 SIDE CHAIN
REMARK 500 3 ARG A 84 0.32 SIDE CHAIN
REMARK 500 3 ARG A 118 0.15 SIDE CHAIN
REMARK 500 4 ARG A 5 0.23 SIDE CHAIN
REMARK 500 4 ARG A 21 0.32 SIDE CHAIN
REMARK 500 4 ARG A 22 0.31 SIDE CHAIN
REMARK 500 4 ARG A 39 0.26 SIDE CHAIN
REMARK 500 4 ARG A 50 0.29 SIDE CHAIN
REMARK 500 4 ARG A 66 0.24 SIDE CHAIN
REMARK 500 4 ARG A 75 0.09 SIDE CHAIN
REMARK 500 4 ARG A 84 0.30 SIDE CHAIN
REMARK 500 4 ARG A 118 0.29 SIDE CHAIN
REMARK 500 5 ARG A 5 0.32 SIDE CHAIN
REMARK 500 5 ARG A 21 0.20 SIDE CHAIN
REMARK 500 5 ARG A 22 0.20 SIDE CHAIN
REMARK 500 5 ARG A 39 0.30 SIDE CHAIN
REMARK 500 5 ARG A 50 0.16 SIDE CHAIN
REMARK 500 5 ARG A 66 0.15 SIDE CHAIN
REMARK 500 5 ARG A 75 0.31 SIDE CHAIN
REMARK 500 5 ARG A 84 0.25 SIDE CHAIN
REMARK 500 5 ARG A 118 0.21 SIDE CHAIN
REMARK 500 6 ARG A 5 0.29 SIDE CHAIN
REMARK 500 6 ARG A 21 0.27 SIDE CHAIN
REMARK 500 6 ARG A 22 0.19 SIDE CHAIN
REMARK 500 6 ARG A 39 0.28 SIDE CHAIN
REMARK 500 6 ARG A 50 0.25 SIDE CHAIN
REMARK 500 6 ARG A 66 0.25 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 171 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4670 RELATED DB: BMRB
REMARK 900 CHEMICAL SHIFT NMR ASSIGNMENT OF THE ARABIDOPSIS THALIANA PIN1AT
DBREF 1J6Y A 2 120 UNP Q9SL42 PIN1_ARATH 1 119
SEQADV 1J6Y MET A -18 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y GLY A -17 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y SER A -16 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y SER A -15 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -14 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -13 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -12 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -11 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -10 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A -9 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y SER A -8 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y SER A -7 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y GLY A -6 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y LEU A -5 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y VAL A -4 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y PRO A -3 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y ARG A -2 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y GLY A -1 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y SER A 0 UNP Q9SL42 EXPRESSION TAG
SEQADV 1J6Y HIS A 1 UNP Q9SL42 EXPRESSION TAG
SEQRES 1 A 139 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES 2 A 139 LEU VAL PRO ARG GLY SER HIS MET ALA SER ARG ASP GLN
SEQRES 3 A 139 VAL LYS ALA SER HIS ILE LEU ILE LYS HIS GLN GLY SER
SEQRES 4 A 139 ARG ARG LYS ALA SER TRP LYS ASP PRO GLU GLY LYS ILE
SEQRES 5 A 139 ILE LEU THR THR THR ARG GLU ALA ALA VAL GLU GLN LEU
SEQRES 6 A 139 LYS SER ILE ARG GLU ASP ILE VAL SER GLY LYS ALA ASN
SEQRES 7 A 139 PHE GLU GLU VAL ALA THR ARG VAL SER ASP CYS SER SER
SEQRES 8 A 139 ALA LYS ARG GLY GLY ASP LEU GLY SER PHE GLY ARG GLY
SEQRES 9 A 139 GLN MET GLN LYS PRO PHE GLU GLU ALA THR TYR ALA LEU
SEQRES 10 A 139 LYS VAL GLY ASP ILE SER ASP ILE VAL ASP THR ASP SER
SEQRES 11 A 139 GLY VAL HIS ILE ILE LYS ARG THR ALA
HELIX 1 1 THR A 38 SER A 55 1 18
HELIX 2 2 PHE A 60 VAL A 67 1 8
HELIX 3 3 ASP A 69 ARG A 75 1 7
HELIX 4 4 LYS A 89 LEU A 98 1 10
SHEET 1 A 2 LYS A 9 SER A 11 0
SHEET 2 A 2 ASP A 78 SER A 81 -1 O LEU A 79 N ALA A 10
SHEET 1 B 3 LEU A 14 ILE A 15 0
SHEET 2 B 3 GLY A 112 HIS A 114 -1 O VAL A 113 N ILE A 15
SHEET 3 B 3 VAL A 107 THR A 109 -1 N VAL A 107 O HIS A 114
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 - b 23 2 Bytes