Header list of 1qlc.pdb file
Complete list - r 25 2 Bytes
HEADER PEPTIDE RECOGNITION 25-AUG-99 1QLC TITLE SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF POSTSYNAPTIC TITLE 2 DENSITY-95 COMPND MOL_ID: 1; COMPND 2 MOLECULE: POSTSYNAPTIC DENSITY PROTEIN 95; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: THE SECOND PDZ DOMAIN; COMPND 5 SYNONYM: PSD-95; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PEPTIDE RECOGNITION, PDZ DOMAIN, NEURONAL NITRIC OXIDE KEYWDS 2 SYNTHASE, NMDA RECEPTOR BINDING EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR H.TOCHIO,F.HUNG,M.LI,M.ZHANG REVDAT 2 24-FEB-09 1QLC 1 VERSN REVDAT 1 06-FEB-00 1QLC 0 JRNL AUTH H.TOCHIO,F.HUNG,M.LI,D.S.BREDT,M.ZHANG JRNL TITL SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF THE JRNL TITL 2 SECOND PDZ DOMAIN OF POSTSYNAPTIC DENSITY-95 JRNL REF J.MOL.BIOL. V. 295 225 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10623522 JRNL DOI 10.1006/JMBI.1999.3350 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: TORSION ANGLE DYNAMICS SIMULATED REMARK 3 ANNEALING REFINEMENT REMARK 4 REMARK 4 1QLC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 25-AUG-99. REMARK 100 THE PDBE ID CODE IS EBI-4044. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 REMARK 210 SPECTROMETER MODEL : UNITY INNOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN 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 : NULL 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 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 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 PHE A 172 -168.20 -174.57 REMARK 500 1 ASN A 180 52.73 -110.39 REMARK 500 1 ASP A 186 129.12 -173.41 REMARK 500 1 SER A 188 -160.90 -111.00 REMARK 500 1 ALA A 199 -59.31 -148.46 REMARK 500 1 ALA A 214 155.76 163.83 REMARK 500 1 ASN A 216 -85.62 58.08 REMARK 500 1 SER A 217 14.32 -141.18 REMARK 500 1 LEU A 220 44.70 -102.31 REMARK 500 1 ASP A 222 33.38 -154.72 REMARK 500 1 THR A 235 -162.99 -66.01 REMARK 500 1 TYR A 236 -153.46 -131.02 REMARK 500 1 ASP A 237 -77.03 -43.19 REMARK 500 2 GLU A 156 -179.50 61.61 REMARK 500 2 PHE A 172 -169.27 -170.58 REMARK 500 2 ASN A 180 57.58 -117.06 REMARK 500 2 ASP A 186 123.87 -172.13 REMARK 500 2 SER A 188 -166.56 -111.07 REMARK 500 2 ALA A 199 -58.63 -137.56 REMARK 500 2 ALA A 214 152.06 166.47 REMARK 500 2 ASN A 216 -84.51 57.14 REMARK 500 2 LEU A 220 50.60 -119.37 REMARK 500 2 ASP A 222 30.68 -159.90 REMARK 500 2 THR A 235 -166.94 -66.09 REMARK 500 2 TYR A 236 -150.14 -138.45 REMARK 500 2 ASP A 237 -80.82 -44.40 REMARK 500 2 SER A 247 153.22 60.99 REMARK 500 2 ASN A 248 78.47 -114.74 REMARK 500 3 PHE A 172 -166.04 -174.52 REMARK 500 3 ASN A 180 55.23 -112.88 REMARK 500 3 ASP A 186 128.34 -170.11 REMARK 500 3 ALA A 199 -57.62 -133.44 REMARK 500 3 ALA A 214 151.49 166.31 REMARK 500 3 ASN A 216 -85.50 59.29 REMARK 500 3 SER A 217 13.49 -141.98 REMARK 500 3 LEU A 220 48.01 -108.97 REMARK 500 3 ASP A 222 32.72 -162.28 REMARK 500 3 THR A 235 -166.87 -70.38 REMARK 500 3 TYR A 236 -150.50 -138.94 REMARK 500 3 ASP A 237 -81.36 -43.42 REMARK 500 4 GLU A 156 -176.38 -62.00 REMARK 500 4 PHE A 172 -171.13 -176.65 REMARK 500 4 ASN A 180 56.44 -118.09 REMARK 500 4 ASP A 186 131.22 -172.68 REMARK 500 4 SER A 188 -166.94 -111.04 REMARK 500 4 ALA A 199 -67.23 -140.02 REMARK 500 4 ALA A 214 148.09 176.21 REMARK 500 4 ASN A 216 -85.91 57.58 REMARK 500 4 ASP A 222 26.27 46.83 REMARK 500 4 THR A 235 -171.36 -64.49 REMARK 500 4 TYR A 236 -151.61 -143.10 REMARK 500 4 ASP A 237 -79.98 -43.03 REMARK 500 4 ASN A 248 81.44 60.31 REMARK 500 5 PHE A 172 -169.97 -175.63 REMARK 500 5 GLN A 181 98.38 -42.37 REMARK 500 5 SER A 188 -168.13 -105.83 REMARK 500 5 ALA A 199 -60.21 -134.86 REMARK 500 5 ASN A 216 -84.79 58.45 REMARK 500 5 SER A 217 12.94 -140.32 REMARK 500 5 LEU A 220 40.52 -104.17 REMARK 500 5 ASP A 222 27.47 48.72 REMARK 500 5 THR A 235 -163.94 -65.99 REMARK 500 5 TYR A 236 -150.58 -139.67 REMARK 500 5 ASP A 237 -78.57 -40.52 REMARK 500 5 SER A 247 36.66 -143.79 REMARK 500 6 PHE A 172 -173.68 -177.09 REMARK 500 6 ASN A 180 55.00 -113.09 REMARK 500 6 SER A 188 -164.66 -111.28 REMARK 500 6 ALA A 199 -60.94 -129.56 REMARK 500 6 ASN A 216 -84.87 61.30 REMARK 500 6 SER A 217 13.52 -143.26 REMARK 500 6 ASP A 222 27.56 48.41 REMARK 500 6 THR A 235 -163.49 -61.72 REMARK 500 6 TYR A 236 -151.13 -138.35 REMARK 500 6 ASP A 237 -81.16 -44.42 REMARK 500 7 ASN A 180 54.11 -104.09 REMARK 500 7 ASP A 186 119.90 -175.64 REMARK 500 7 ASN A 187 38.74 -96.14 REMARK 500 7 SER A 188 -166.25 -119.44 REMARK 500 7 ALA A 199 -63.08 -122.49 REMARK 500 7 ASN A 216 -87.48 56.04 REMARK 500 7 ASP A 222 25.93 49.05 REMARK 500 7 THR A 235 176.83 -51.86 REMARK 500 7 TYR A 236 -148.94 -139.33 REMARK 500 7 ASP A 237 -77.44 -41.61 REMARK 500 8 PHE A 172 -172.93 -175.13 REMARK 500 8 ASN A 180 51.80 -102.72 REMARK 500 8 SER A 188 -165.01 -116.44 REMARK 500 8 ALA A 199 -56.81 -131.44 REMARK 500 8 ALA A 214 145.81 172.12 REMARK 500 8 ASN A 216 -86.60 56.56 REMARK 500 8 ASP A 222 24.46 49.15 REMARK 500 8 THR A 235 -169.27 -56.40 REMARK 500 8 TYR A 236 -153.07 -138.84 REMARK 500 8 ASP A 237 -80.05 -42.49 REMARK 500 8 SER A 247 138.80 63.32 REMARK 500 9 GLU A 156 -170.94 61.48 REMARK 500 9 PHE A 172 -172.70 -176.49 REMARK 500 9 GLN A 181 105.95 -43.19 REMARK 500 9 SER A 188 -162.41 -116.20 REMARK 500 9 ALA A 199 -53.61 -133.82 REMARK 500 9 ALA A 214 148.34 -172.97 REMARK 500 9 ASN A 216 -85.39 61.26 REMARK 500 9 SER A 217 14.79 -144.17 REMARK 500 9 ASP A 222 29.99 45.38 REMARK 500 9 THR A 235 -173.07 -56.17 REMARK 500 9 TYR A 236 -149.85 -145.21 REMARK 500 9 ASP A 237 -75.13 -39.15 REMARK 500 9 SER A 247 -178.69 50.62 REMARK 500 9 ASN A 248 -76.32 -97.26 REMARK 500 10 PHE A 172 -165.88 -176.16 REMARK 500 10 ASN A 180 49.22 -109.80 REMARK 500 10 ASP A 186 117.02 -173.57 REMARK 500 10 ASN A 187 44.43 -95.11 REMARK 500 10 SER A 188 -161.13 -123.17 REMARK 500 10 ALA A 199 -61.19 -147.16 REMARK 500 10 ALA A 214 154.26 175.30 REMARK 500 10 ASN A 216 -86.02 59.33 REMARK 500 10 SER A 217 12.98 -141.14 REMARK 500 10 LEU A 220 33.56 -98.10 REMARK 500 10 THR A 235 -175.06 -54.19 REMARK 500 10 TYR A 236 -145.78 -136.17 REMARK 500 10 ASP A 237 -74.64 -38.72 REMARK 500 11 PHE A 172 -177.21 -176.53 REMARK 500 11 ASN A 180 50.42 -112.60 REMARK 500 11 ASP A 186 123.84 -172.26 REMARK 500 11 SER A 188 -166.24 -112.81 REMARK 500 11 ALA A 199 -57.18 -139.11 REMARK 500 11 ALA A 214 149.66 175.26 REMARK 500 11 ASN A 216 -85.11 57.90 REMARK 500 11 LEU A 220 37.54 -99.15 REMARK 500 11 ASP A 222 27.98 46.12 REMARK 500 11 THR A 235 -172.86 -58.14 REMARK 500 11 TYR A 236 -149.81 -128.11 REMARK 500 11 ASP A 237 -81.47 -45.03 REMARK 500 11 SER A 247 174.45 60.77 REMARK 500 11 ASN A 248 -70.84 -146.92 REMARK 500 12 PHE A 172 -170.90 -173.43 REMARK 500 12 ASN A 180 54.86 -108.52 REMARK 500 12 ASN A 187 42.25 -101.92 REMARK 500 12 SER A 188 -164.79 -125.30 REMARK 500 12 ALA A 199 -58.27 -147.56 REMARK 500 12 ALA A 214 155.18 166.55 REMARK 500 12 ASN A 216 -85.57 59.72 REMARK 500 12 SER A 217 13.38 -141.56 REMARK 500 12 LEU A 220 45.75 -109.21 REMARK 500 12 ASP A 222 29.82 -158.94 REMARK 500 12 THR A 235 -166.59 -69.42 REMARK 500 12 TYR A 236 -148.98 -140.68 REMARK 500 12 ASP A 237 -81.42 -43.74 REMARK 500 13 PHE A 172 -170.04 -170.60 REMARK 500 13 ASN A 180 52.11 -110.23 REMARK 500 13 SER A 188 -162.89 -111.32 REMARK 500 13 ALA A 199 -57.52 -162.80 REMARK 500 13 ALA A 214 152.20 174.15 REMARK 500 13 ASN A 216 -85.72 57.98 REMARK 500 13 SER A 217 14.02 -140.54 REMARK 500 13 ASP A 222 26.75 47.13 REMARK 500 13 THR A 235 -171.49 -67.39 REMARK 500 13 TYR A 236 -145.47 -143.89 REMARK 500 13 ASP A 237 -83.42 -44.47 REMARK 500 13 ASN A 248 -69.48 67.59 REMARK 500 14 PHE A 172 -172.37 -175.21 REMARK 500 14 ASN A 180 49.46 -104.99 REMARK 500 14 SER A 188 -164.25 -116.28 REMARK 500 14 ALA A 199 -62.10 -137.99 REMARK 500 14 ALA A 214 148.03 -178.94 REMARK 500 14 ASN A 216 -87.80 56.55 REMARK 500 14 LEU A 220 30.11 -98.76 REMARK 500 14 ASP A 222 27.77 45.04 REMARK 500 14 THR A 235 -173.99 -54.58 REMARK 500 14 TYR A 236 -151.80 -138.66 REMARK 500 14 ASP A 237 -80.44 -45.35 REMARK 500 14 ASN A 248 -74.94 65.76 REMARK 500 15 PHE A 172 -173.88 -175.61 REMARK 500 15 ASN A 180 45.97 -104.91 REMARK 500 15 SER A 188 -164.61 -110.06 REMARK 500 15 ALA A 199 -62.37 -106.30 REMARK 500 15 ASN A 216 -85.21 59.99 REMARK 500 15 SER A 217 13.45 -142.86 REMARK 500 15 LEU A 220 37.18 -99.16 REMARK 500 15 THR A 235 -166.09 -63.51 REMARK 500 15 TYR A 236 -148.28 -146.85 REMARK 500 15 ASP A 237 -77.99 -41.82 REMARK 500 15 ASN A 248 114.09 -164.86 REMARK 500 16 PHE A 172 -166.28 -173.89 REMARK 500 16 ASN A 180 46.74 -105.79 REMARK 500 16 ASP A 186 123.95 -171.05 REMARK 500 16 SER A 188 -168.14 -109.61 REMARK 500 16 ALA A 199 -61.96 -149.96 REMARK 500 16 ALA A 214 149.21 -171.89 REMARK 500 16 ASN A 216 -85.82 56.20 REMARK 500 16 ASP A 222 25.50 47.52 REMARK 500 16 THR A 235 -172.17 -57.75 REMARK 500 16 TYR A 236 -146.90 -133.88 REMARK 500 16 ASP A 237 -81.95 -42.77 REMARK 500 16 SER A 247 -174.31 -61.66 REMARK 500 16 ASN A 248 86.19 -164.51 REMARK 500 17 PHE A 172 -168.27 -174.97 REMARK 500 17 ASN A 180 57.39 -109.78 REMARK 500 17 SER A 188 -169.10 -115.37 REMARK 500 17 ALA A 214 153.27 166.63 REMARK 500 17 ASN A 216 -84.94 59.94 REMARK 500 17 SER A 217 13.02 -142.44 REMARK 500 17 LEU A 220 45.66 -109.17 REMARK 500 17 ASP A 222 32.19 -158.12 REMARK 500 17 THR A 235 -166.05 -57.73 REMARK 500 17 ASP A 237 -61.60 -28.82 REMARK 500 18 PHE A 172 -168.74 -175.07 REMARK 500 18 ASN A 180 54.14 -114.93 REMARK 500 18 GLN A 181 107.33 -45.54 REMARK 500 18 ASP A 186 129.89 -173.89 REMARK 500 18 SER A 188 -165.73 -114.52 REMARK 500 18 ASN A 216 -85.04 58.43 REMARK 500 18 SER A 217 12.95 -140.84 REMARK 500 18 LEU A 220 34.73 -99.25 REMARK 500 18 ASP A 222 26.70 46.38 REMARK 500 18 THR A 235 -165.20 -62.25 REMARK 500 18 TYR A 236 -150.83 -140.76 REMARK 500 18 ASP A 237 -81.18 -45.08 REMARK 500 18 ASN A 248 85.54 60.00 REMARK 500 19 PHE A 172 -174.77 -175.42 REMARK 500 19 ASN A 180 53.29 -112.42 REMARK 500 19 SER A 188 -162.46 -110.28 REMARK 500 19 ARG A 205 62.17 64.97 REMARK 500 19 ALA A 214 150.21 177.09 REMARK 500 19 ASN A 216 -86.17 56.42 REMARK 500 19 ASP A 222 24.42 49.39 REMARK 500 19 THR A 235 -175.67 -65.43 REMARK 500 19 TYR A 236 -150.03 -136.53 REMARK 500 19 ASP A 237 -81.24 -44.31 REMARK 500 19 ASN A 248 -59.96 -157.92 REMARK 500 20 PHE A 172 -173.16 -176.25 REMARK 500 20 ASN A 180 48.55 -102.97 REMARK 500 20 SER A 188 -163.28 -62.98 REMARK 500 20 ALA A 199 -57.74 -149.21 REMARK 500 20 ASN A 216 -86.21 59.31 REMARK 500 20 SER A 217 14.44 -141.26 REMARK 500 20 LEU A 220 43.79 -101.84 REMARK 500 20 ASP A 222 33.91 -168.65 REMARK 500 20 THR A 235 -169.01 -60.82 REMARK 500 20 TYR A 236 -152.01 -134.71 REMARK 500 20 ASP A 237 -80.23 -44.34 REMARK 500 20 ASN A 248 35.23 -168.46 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BE9 RELATED DB: PDB REMARK 900 THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN REMARK 900 COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT. REMARK 900 RELATED ID: 1BFE RELATED DB: PDB REMARK 900 THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 DBREF 1QLC A 155 249 UNP P31016 SP90_RAT 155 249 SEQRES 1 A 95 ALA GLU LYS VAL MET GLU ILE LYS LEU ILE LYS GLY PRO SEQRES 2 A 95 LYS GLY LEU GLY PHE SER ILE ALA GLY GLY VAL GLY ASN SEQRES 3 A 95 GLN HIS ILE PRO GLY ASP ASN SER ILE TYR VAL THR LYS SEQRES 4 A 95 ILE ILE GLU GLY GLY ALA ALA HIS LYS ASP GLY ARG LEU SEQRES 5 A 95 GLN ILE GLY ASP LYS ILE LEU ALA VAL ASN SER VAL GLY SEQRES 6 A 95 LEU GLU ASP VAL MET HIS GLU ASP ALA VAL ALA ALA LEU SEQRES 7 A 95 LYS ASN THR TYR ASP VAL VAL TYR LEU LYS VAL ALA LYS SEQRES 8 A 95 PRO SER ASN ALA HELIX 1 1 ALA A 199 ARG A 205 1 7 HELIX 2 2 MET A 224 ASN A 234 1 11 SHEET 1 A 3 LYS A 157 ILE A 164 0 SHEET 2 A 3 VAL A 238 LYS A 245 -1 N LYS A 245 O LYS A 157 SHEET 3 A 3 ILE A 212 VAL A 215 -1 N ALA A 214 O LYS A 242 SHEET 1 B 2 PHE A 172 GLY A 176 0 SHEET 2 B 2 ILE A 189 ILE A 194 -1 N LYS A 193 O SER A 173 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 - r 25 2 Bytes