Header list of 1b10.pdb file
Complete list - b 16 2 Bytes
HEADER PRION PROTEIN 25-NOV-98 1B10 TITLE SOLUTION NMR STRUCTURE OF RECOMBINANT SYRIAN HAMSTER PRION PROTEIN TITLE 2 RPRP(90-231) , 25 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (PRION PROTEIN); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: 90 - 231; COMPND 5 SYNONYM: SHA RPRP90-231; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MESOCRICETUS AURATUS; SOURCE 3 ORGANISM_COMMON: GOLDEN HAMSTER; SOURCE 4 ORGANISM_TAXID: 10036; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: 27C7; SOURCE 8 EXPRESSION_SYSTEM_ATCC_NUMBER: 55244; SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID SECRETION VESICLE 9; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: ESCHERICHIA COLI 27C7; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: STII VARIANT 4 (90 - 231); SOURCE 13 EXPRESSION_SYSTEM_GENE: ALKALINE PHOSPHATASE; SOURCE 14 OTHER_DETAILS: GENENTECH DERIVED VECTOR SYSTEM KEYWDS PRION, SCRAPIE, BRAIN, GLYCOPROTEIN, PRION PROTEIN EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR T.L.JAMES,H.LIU,N.B.ULYANOV,S.FARR-JONES REVDAT 4 16-FEB-22 1B10 1 REMARK REVDAT 3 24-FEB-09 1B10 1 VERSN REVDAT 2 22-DEC-99 1B10 4 HEADER COMPND REMARK JRNL REVDAT 2 2 4 ATOM SOURCE SEQRES REVDAT 1 02-DEC-98 1B10 0 SPRSDE 02-DEC-98 1B10 2PRP JRNL AUTH T.L.JAMES,H.LIU,N.B.ULYANOV,S.FARR-JONES,H.ZHANG,D.G.DONNE, JRNL AUTH 2 K.KANEKO,D.GROTH,I.MEHLHORN,S.B.PRUSINER,F.E.COHEN JRNL TITL SOLUTION STRUCTURE OF A 142-RESIDUE RECOMBINANT PRION JRNL TITL 2 PROTEIN CORRESPONDING TO THE INFECTIOUS FRAGMENT OF THE JRNL TITL 3 SCRAPIE ISOFORM. JRNL REF PROC.NATL.ACAD.SCI.USA V. 94 10086 1997 JRNL REFN ISSN 0027-8424 JRNL PMID 9294167 JRNL DOI 10.1073/PNAS.94.19.10086 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA, XPLOR, AMBER4.1 REMARK 3 AUTHORS : M. NILGES (ARIA), A. T. BRUNGER (XPLOR), P. A. REMARK 3 KOLLMAN (AMBER4.1) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NMR DISTANCE RESTRAINTS WERE ASSIGNED REMARK 3 WITH THE AID OF ARIA (AMBIGUOUS RESTRAINTS FOR ITERATIVE REMARK 3 ASSIGNMENT) PROCEDURE, RESULTING IN 2778 UNAMBIGUOUS AND 306 REMARK 3 AMBIGUOUS DISTANCE RESTRAINTS. 63 J COUPLING CONSTANTS, AND 44 REMARK 3 HYDROGEN BOND RESTRAINTS WERE ALSO USED IN THE STRUCTURE REMARK 3 CALCULATIONS. 100 STRUCTURES WERE CALCULATED USING XPLOR NMR- REMARK 3 RESTRAINED SIMULATED ANNEALING PROTOCOL. RESIDUES 112-231 OF THE REMARK 3 25 STRUCTURES WITH LOWEST TOTAL ENERGY WERE EACH SUBJECTED TO REMARK 3 25PS RESTRAINED MOLECULAR DYNAMICS SIMULATION IN A 6 ANGSTROM REMARK 3 SHELL OF WATER FOLLOWED BY ENERGY MINIMIZATION USING AMBER4.1 REMARK 3 FORCE FIELD. THE AVERAGE VIOLATION FOR DISTANCE RESTRAINTS IS REMARK 3 0.032A, AND FOR J COUPLING CONSTANTS IS 0.059HZ. THE AVERAGE REMARK 3 BACKBONE ATOMIC RMSD TO THE MEAN STRUCTURE IS 0.67A FOR RESIDUES REMARK 3 125-227 OF THE 25 STRUCTURES. THE REFINEMENT HAS BEEN SUBMITTED REMARK 3 TO BIOCHEMISTRY WITH THE TITLE "SOLUTION STRUCTURE OF SYRIAN REMARK 3 HAMSTER PRION PROTEIN RPRP(90-231)". NOTE, LOWER RESOLUTION REMARK 3 STRUCTURES PUBLISHED ON PNAS 94, 10086 (1997) WERE CALCULATED REMARK 3 WITH THE PROGRAM DIANA DEVELOPED IN WUTHRICH'S LAB.RESIDUES 90- REMARK 3 124 OF RPRP(90-231) ARE LARGELY UNSTRUCTURED. RESIDUES 90-111 REMARK 3 WERE EXCLUDED IN THE FINAL STAGE OF STRUCTURE REFINEMENT. THE REMARK 3 COORDINATES DEPOSITED TO PDB CONTAIN RESIDUES 125-228. REMARK 4 REMARK 4 1B10 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-NOV-98. REMARK 100 THE DEPOSITION ID IS D_1000000153. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : N15 NOESY; C13 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX; AMX; UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ARIA, XPLOR, AMBER REMARK 210 METHOD USED : NMR-RESTRAINED SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS, REMARK 210 AND ENERGY MINIMIZATION. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : TOTAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: IONIC_STRENGTH: NULL PRESSURE: 1 ATM SOLVENT SYSTEM: 1MM REMARK 210 PROTEIN, H2O, 20 MM SODIUM ACETATE THE 1H, 15N AND 13C REMARK 210 RESONANCES WERE ASSIGNED USING TRIPLE RESONANCE NMR EXPERIMENTS REMARK 210 HNCA, HNCACB, CBCACONNH, HNCO, HCCH-TOCSY ACQUIRED ON 500 AND REMARK 210 600 MHZ SPECTROMETERS WITH UNIFORMLY 13C/15N-LABELED SAMPLE. REMARK 210 DISTANCE RESTRAINTS WERE OBTAINED FROM 750 MHZ 15N-HSQC-NOESY REMARK 210 AND 13C-HSQC- NOESY SPECTRA WITH 100MS MIXING TIME. 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 1-25 REMARK 465 RES C SSSEQI REMARK 465 GLY A 90 REMARK 465 GLN A 91 REMARK 465 GLY A 92 REMARK 465 GLY A 93 REMARK 465 GLY A 94 REMARK 465 THR A 95 REMARK 465 HIS A 96 REMARK 465 ASN A 97 REMARK 465 GLN A 98 REMARK 465 TRP A 99 REMARK 465 ASN A 100 REMARK 465 LYS A 101 REMARK 465 PRO A 102 REMARK 465 SER A 103 REMARK 465 LYS A 104 REMARK 465 PRO A 105 REMARK 465 LYS A 106 REMARK 465 THR A 107 REMARK 465 ASN A 108 REMARK 465 MET A 109 REMARK 465 LYS A 110 REMARK 465 HIS A 111 REMARK 465 MET A 112 REMARK 465 ALA A 113 REMARK 465 GLY A 114 REMARK 465 ALA A 115 REMARK 465 ALA A 116 REMARK 465 ALA A 117 REMARK 465 ALA A 118 REMARK 465 GLY A 119 REMARK 465 ALA A 120 REMARK 465 VAL A 121 REMARK 465 VAL A 122 REMARK 465 GLY A 123 REMARK 465 GLY A 124 REMARK 465 ARG A 229 REMARK 465 ARG A 230 REMARK 465 SER A 231 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 HG1 THR A 199 OD2 ASP A 202 1.46 REMARK 500 O ILE A 184 HG1 THR A 188 1.51 REMARK 500 HH TYR A 149 OD1 ASP A 202 1.52 REMARK 500 O THR A 188 HG1 THR A 192 1.52 REMARK 500 HH TYR A 157 OD1 ASP A 202 1.54 REMARK 500 O GLN A 186 HG1 THR A 190 1.54 REMARK 500 O GLN A 212 HG1 THR A 216 1.57 REMARK 500 O CYS A 179 HG1 THR A 183 1.59 REMARK 500 HH TYR A 169 OD2 ASP A 178 1.60 REMARK 500 O THR A 190 HG1 THR A 193 1.60 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 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 1 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 1 ARG A 151 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 2 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 3 ARG A 148 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 3 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 4 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 4 ARG A 164 CD - NE - CZ ANGL. DEV. = 8.7 DEGREES REMARK 500 4 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES REMARK 500 5 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 5 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 5 ARG A 156 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 5 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 5 ARG A 164 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 6 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 6 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 7 ARG A 148 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 7 ARG A 156 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 7 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 7 TYR A 169 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES REMARK 500 7 ARG A 208 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 8 ARG A 151 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 8 ARG A 156 CD - NE - CZ ANGL. DEV. = 8.5 DEGREES REMARK 500 8 ARG A 156 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 8 ARG A 156 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 9 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 9 TYR A 157 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES REMARK 500 10 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 10 ARG A 148 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 10 ARG A 208 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 11 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 11 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 11 ARG A 208 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 12 ASP A 147 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 12 ARG A 156 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 12 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 12 TYR A 169 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES REMARK 500 12 ARG A 208 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 12 ARG A 208 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 13 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 13 ARG A 136 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 13 TYR A 157 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES REMARK 500 13 VAL A 180 CA - CB - CG2 ANGL. DEV. = 9.7 DEGREES REMARK 500 13 ARG A 208 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 14 TYR A 128 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES REMARK 500 14 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 15 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES REMARK 500 15 ARG A 151 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 15 ARG A 156 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 15 TYR A 157 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 93 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 ARG A 136 76.85 39.49 REMARK 500 1 MET A 138 100.10 57.53 REMARK 500 1 ASN A 170 -9.02 -146.57 REMARK 500 1 GLU A 207 -34.94 -35.42 REMARK 500 1 ASP A 227 73.82 39.75 REMARK 500 2 ARG A 136 86.06 11.51 REMARK 500 2 HIS A 140 103.06 -11.92 REMARK 500 2 ASP A 167 0.37 -61.56 REMARK 500 2 ASN A 170 1.32 -153.78 REMARK 500 2 GLU A 207 -31.16 -38.93 REMARK 500 3 ARG A 136 86.63 36.57 REMARK 500 3 PRO A 137 -22.74 -39.27 REMARK 500 3 MET A 138 84.49 55.58 REMARK 500 3 ASN A 153 -8.35 -141.00 REMARK 500 3 MET A 154 -19.79 -49.55 REMARK 500 3 ASN A 197 95.19 -168.07 REMARK 500 3 GLU A 207 -37.32 -36.89 REMARK 500 4 ARG A 136 96.97 4.24 REMARK 500 4 MET A 138 48.58 -77.14 REMARK 500 4 MET A 139 38.66 -82.89 REMARK 500 4 HIS A 140 126.55 -25.98 REMARK 500 4 GLN A 168 59.61 -140.46 REMARK 500 4 ASN A 170 -38.81 -137.25 REMARK 500 4 ASN A 197 94.88 -163.68 REMARK 500 4 GLU A 207 -30.27 -39.99 REMARK 500 5 SER A 132 154.46 114.92 REMARK 500 5 SER A 135 117.80 -169.84 REMARK 500 5 ARG A 136 -18.19 138.81 REMARK 500 5 HIS A 140 108.63 -23.26 REMARK 500 5 ASN A 159 16.98 -141.01 REMARK 500 5 GLN A 168 -15.80 95.19 REMARK 500 5 TYR A 169 -70.90 51.76 REMARK 500 5 ASN A 170 -24.42 67.47 REMARK 500 5 ASN A 171 166.87 132.68 REMARK 500 5 ASN A 197 96.86 -167.27 REMARK 500 5 GLU A 207 -26.84 -39.84 REMARK 500 6 SER A 135 82.40 -69.28 REMARK 500 6 ARG A 136 85.58 11.80 REMARK 500 6 MET A 138 -63.66 -120.67 REMARK 500 6 MET A 139 164.78 62.47 REMARK 500 6 ASP A 167 5.84 -46.86 REMARK 500 6 TYR A 169 -100.91 52.22 REMARK 500 6 ASN A 171 157.85 99.97 REMARK 500 6 ASN A 197 87.90 -166.77 REMARK 500 6 GLU A 207 -33.71 -38.34 REMARK 500 7 SER A 132 148.29 123.13 REMARK 500 7 SER A 135 46.60 -77.47 REMARK 500 7 ARG A 136 81.38 26.75 REMARK 500 7 GLN A 168 -8.75 76.52 REMARK 500 7 TYR A 169 168.87 -37.44 REMARK 500 REMARK 500 THIS ENTRY HAS 161 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 TYR A 149 0.08 SIDE CHAIN REMARK 500 1 ARG A 151 0.08 SIDE CHAIN REMARK 500 4 PHE A 141 0.08 SIDE CHAIN REMARK 500 4 ARG A 148 0.13 SIDE CHAIN REMARK 500 4 TYR A 150 0.08 SIDE CHAIN REMARK 500 4 TYR A 226 0.10 SIDE CHAIN REMARK 500 5 ARG A 151 0.10 SIDE CHAIN REMARK 500 5 TYR A 218 0.07 SIDE CHAIN REMARK 500 5 TYR A 226 0.07 SIDE CHAIN REMARK 500 6 TYR A 162 0.09 SIDE CHAIN REMARK 500 6 TYR A 163 0.07 SIDE CHAIN REMARK 500 6 TYR A 169 0.14 SIDE CHAIN REMARK 500 6 PHE A 175 0.10 SIDE CHAIN REMARK 500 6 ARG A 208 0.09 SIDE CHAIN REMARK 500 6 TYR A 218 0.07 SIDE CHAIN REMARK 500 7 TYR A 157 0.07 SIDE CHAIN REMARK 500 7 TYR A 218 0.08 SIDE CHAIN REMARK 500 8 TYR A 225 0.07 SIDE CHAIN REMARK 500 9 TYR A 128 0.10 SIDE CHAIN REMARK 500 10 TYR A 218 0.08 SIDE CHAIN REMARK 500 11 TYR A 163 0.07 SIDE CHAIN REMARK 500 11 TYR A 226 0.09 SIDE CHAIN REMARK 500 12 TYR A 169 0.09 SIDE CHAIN REMARK 500 12 TYR A 218 0.07 SIDE CHAIN REMARK 500 14 TYR A 150 0.08 SIDE CHAIN REMARK 500 14 ARG A 208 0.08 SIDE CHAIN REMARK 500 15 TYR A 225 0.08 SIDE CHAIN REMARK 500 16 ARG A 148 0.08 SIDE CHAIN REMARK 500 17 TYR A 128 0.08 SIDE CHAIN REMARK 500 17 ARG A 208 0.08 SIDE CHAIN REMARK 500 18 TYR A 128 0.12 SIDE CHAIN REMARK 500 18 TYR A 157 0.08 SIDE CHAIN REMARK 500 18 TYR A 218 0.08 SIDE CHAIN REMARK 500 19 TYR A 149 0.08 SIDE CHAIN REMARK 500 19 TYR A 157 0.09 SIDE CHAIN REMARK 500 19 TYR A 225 0.08 SIDE CHAIN REMARK 500 20 TYR A 169 0.07 SIDE CHAIN REMARK 500 20 TYR A 225 0.10 SIDE CHAIN REMARK 500 21 TYR A 225 0.09 SIDE CHAIN REMARK 500 21 TYR A 226 0.07 SIDE CHAIN REMARK 500 22 PHE A 141 0.08 SIDE CHAIN REMARK 500 22 ARG A 156 0.12 SIDE CHAIN REMARK 500 22 TYR A 169 0.08 SIDE CHAIN REMARK 500 23 ARG A 156 0.12 SIDE CHAIN REMARK 500 23 TYR A 163 0.07 SIDE CHAIN REMARK 500 23 TYR A 169 0.10 SIDE CHAIN REMARK 500 23 TYR A 218 0.09 SIDE CHAIN REMARK 500 24 TYR A 128 0.09 SIDE CHAIN REMARK 500 24 ARG A 148 0.09 SIDE CHAIN REMARK 500 24 TYR A 162 0.11 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 55 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1B10 A 90 231 UNP P04273 PRIO_MESAU 90 231 SEQRES 1 A 142 GLY GLN GLY GLY GLY THR HIS ASN GLN TRP ASN LYS PRO SEQRES 2 A 142 SER LYS PRO LYS THR ASN MET LYS HIS MET ALA GLY ALA SEQRES 3 A 142 ALA ALA ALA GLY ALA VAL VAL GLY GLY LEU GLY GLY TYR SEQRES 4 A 142 MET LEU GLY SER ALA MET SER ARG PRO MET MET HIS PHE SEQRES 5 A 142 GLY ASN ASP TRP GLU ASP ARG TYR TYR ARG GLU ASN MET SEQRES 6 A 142 ASN ARG TYR PRO ASN GLN VAL TYR TYR ARG PRO VAL ASP SEQRES 7 A 142 GLN TYR ASN ASN GLN ASN ASN PHE VAL HIS ASP CYS VAL SEQRES 8 A 142 ASN ILE THR ILE LYS GLN HIS THR VAL THR THR THR THR SEQRES 9 A 142 LYS GLY GLU ASN PHE THR GLU THR ASP ILE LYS ILE MET SEQRES 10 A 142 GLU ARG VAL VAL GLU GLN MET CYS THR THR GLN TYR GLN SEQRES 11 A 142 LYS GLU SER GLN ALA TYR TYR ASP GLY ARG ARG SER HELIX 1 1 ASP A 144 ASN A 153 1SEE REMARK 650 10 HELIX 2 2 GLN A 172 LYS A 194 1 23 HELIX 3 3 GLU A 200 ASP A 227 1 28 SHEET 1 A 2 MET A 129 GLY A 131 0 SHEET 2 A 2 VAL A 161 TYR A 163 -1 N TYR A 163 O MET A 129 SSBOND 1 CYS A 179 CYS A 214 1555 1555 2.03 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 16 2 Bytes