Header list of 1hky.pdb file
Complete list - r 25 2 Bytes
HEADER ADHESIN 03-OCT-02 1HKY TITLE SOLUTION STRUCTURE OF A PAN MODULE FROM EIMERIA TENELLA COMPND MOL_ID: 1; COMPND 2 MOLECULE: MICRONEME PROTEIN 5 PRECURSOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 712-786; COMPND 5 SYNONYM: MIC-5, ETMIC5; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: CONSTRUCT INCLUDES 11 NON-NATIVE RESIDUES COMPND 8 N-TERMINAL TO THR712 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EIMERIA TENELLA; SOURCE 3 ORGANISM_TAXID: 5802; SOURCE 4 STRAIN: HOUGHTON; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PFLAG-ATS; SOURCE 9 OTHER_DETAILS: ETMIC5 IS A SECRETED PROTEIN FROM THE SOURCE 10 MICRONEME ORGANELLES KEYWDS ADHESIN, NMR, PAN MODULE, EIMERIA TENELLA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR P.J.BROWN,D.MULVEY,J.R.POTTS,F.M.TOMLEY,I.D.CAMPBELL REVDAT 3 24-FEB-09 1HKY 1 VERSN REVDAT 2 17-JUN-04 1HKY 1 JRNL REVDAT 1 17-OCT-02 1HKY 0 JRNL AUTH P.J.BROWN,D.MULVEY,J.R.POTTS,F.M.TOMLEY, JRNL AUTH 2 I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE OF A PAN MODULE FROM THE JRNL TITL 2 APICOMPLEXAN PARASITE EIMERIA TENELLA JRNL REF J.STRUCT.FUNCT.GENOM. V. 4 227 2003 JRNL REFN ISSN 1345-711X JRNL PMID 15185963 JRNL DOI 10.1023/B:JSFG.0000016118.87333.03 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS WILL BE PUBLISHED REMARK 4 REMARK 4 1HKY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 03-OCT-02. REMARK 100 THE PDBE ID CODE IS EBI-11286. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 4.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 0.8 MM IN 93% H2O/7% D2O REMARK 210 OR 1.7 MM IN 99.9% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY,TOCSY,COSY,1H-15N-NOESY-HSQC REMARK 210 1H-15N-TOCSY-HSQC, HMQCJ REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 750 REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR3.8 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 250 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOW ENERGY AND LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURE WAS DETERMINED USING HETERONUCLEAR NMR REMARK 210 SPECTROSCOPY ON 15N-LABELLED 9TH PAN MODULE FROM ETMIC5. REMARK 210 MODEL 1 HAS LOWEST ENERGY 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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT 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 HA PHE A 50 - HA LEU A 59 1.57 REMARK 500 HB THR A 51 - HE2 PHE A 60 1.52 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 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 TYR A 2 -166.72 57.36 REMARK 500 1 CYS A 13 51.61 -160.58 REMARK 500 1 SER A 19 -169.35 -68.68 REMARK 500 1 LYS A 24 55.55 -114.91 REMARK 500 1 SER A 27 138.33 -173.22 REMARK 500 1 ARG A 48 -44.67 -146.07 REMARK 500 1 THR A 51 98.26 -162.21 REMARK 500 1 ALA A 53 -159.06 -123.88 REMARK 500 1 ALA A 64 -78.28 -144.06 REMARK 500 1 PRO A 68 -179.10 -67.61 REMARK 500 1 THR A 69 -33.88 -160.36 REMARK 500 1 LEU A 84 76.80 55.84 REMARK 500 2 TYR A 2 -168.17 -76.41 REMARK 500 2 ASP A 6 -79.33 -79.94 REMARK 500 2 CYS A 13 -4.28 -142.57 REMARK 500 2 LYS A 30 93.58 -58.14 REMARK 500 2 ARG A 48 -56.13 -143.48 REMARK 500 2 LYS A 56 119.86 -164.89 REMARK 500 2 ALA A 61 -91.51 -67.95 REMARK 500 2 THR A 69 -67.86 -137.00 REMARK 500 2 SER A 71 56.92 -112.30 REMARK 500 2 LYS A 79 94.55 -162.96 REMARK 500 2 LEU A 84 -165.88 57.44 REMARK 500 3 ASP A 4 -31.17 -152.36 REMARK 500 3 ASP A 7 -70.00 -153.08 REMARK 500 3 CYS A 13 -32.10 -134.59 REMARK 500 3 LYS A 30 89.96 -59.76 REMARK 500 3 ARG A 48 -36.82 -149.61 REMARK 500 3 ALA A 64 -34.88 -136.62 REMARK 500 3 ALA A 65 -5.93 -162.72 REMARK 500 3 THR A 69 -42.99 -167.09 REMARK 500 3 LYS A 70 -165.68 -163.82 REMARK 500 3 SER A 71 -76.09 -104.54 REMARK 500 3 ARG A 80 -80.56 -113.14 REMARK 500 3 CYS A 81 87.73 55.67 REMARK 500 3 LEU A 83 -27.84 -160.03 REMARK 500 4 TYR A 2 -168.24 57.72 REMARK 500 4 ASP A 5 -162.05 -102.10 REMARK 500 4 ASP A 6 -32.11 -135.03 REMARK 500 4 VAL A 18 -177.54 52.14 REMARK 500 4 LYS A 30 95.90 -60.29 REMARK 500 4 ARG A 48 -51.59 -143.57 REMARK 500 4 ALA A 53 -159.82 -133.97 REMARK 500 4 ALA A 64 -45.32 -133.76 REMARK 500 4 ALA A 65 11.51 -165.36 REMARK 500 4 LEU A 66 91.72 -68.68 REMARK 500 4 PRO A 68 -178.85 -68.29 REMARK 500 4 THR A 69 -39.04 -162.80 REMARK 500 5 LYS A 3 -166.40 57.02 REMARK 500 5 ASP A 5 -80.33 -162.65 REMARK 500 5 ASP A 6 -32.40 -145.09 REMARK 500 5 ASP A 7 -91.30 58.82 REMARK 500 5 LYS A 8 -165.29 56.54 REMARK 500 5 SER A 27 140.55 -174.54 REMARK 500 5 LYS A 30 90.55 -57.40 REMARK 500 5 ALA A 61 -78.30 -74.52 REMARK 500 5 ASP A 63 -31.19 -149.29 REMARK 500 5 ALA A 64 16.37 59.68 REMARK 500 5 THR A 69 -36.48 -161.05 REMARK 500 5 CYS A 81 77.42 -160.15 REMARK 500 5 LEU A 83 21.42 -148.57 REMARK 500 6 TYR A 2 -179.23 -69.87 REMARK 500 6 ASP A 6 -32.22 -153.49 REMARK 500 6 VAL A 18 148.46 -171.46 REMARK 500 6 SER A 19 -164.00 -68.74 REMARK 500 6 SER A 27 142.30 -173.45 REMARK 500 6 LYS A 30 87.76 -59.77 REMARK 500 6 ARG A 48 -40.11 -148.55 REMARK 500 6 ALA A 53 -160.39 -128.77 REMARK 500 6 ALA A 61 -79.68 -61.34 REMARK 500 6 ALA A 64 -80.63 -96.64 REMARK 500 6 ALA A 65 20.75 -147.24 REMARK 500 6 THR A 69 -23.29 -169.89 REMARK 500 6 LYS A 70 -157.92 -89.38 REMARK 500 6 SER A 71 -155.89 -129.79 REMARK 500 6 ARG A 80 -92.78 59.06 REMARK 500 6 CYS A 81 88.38 55.42 REMARK 500 6 LEU A 84 85.11 56.84 REMARK 500 7 LYS A 3 -168.08 58.01 REMARK 500 7 ASP A 4 -80.08 -107.89 REMARK 500 7 ASP A 5 -166.14 -112.12 REMARK 500 7 ASP A 6 -45.77 -130.76 REMARK 500 7 ASP A 7 82.97 54.85 REMARK 500 7 SER A 19 170.49 -59.80 REMARK 500 7 LYS A 30 90.58 -59.11 REMARK 500 7 ARG A 48 -53.33 -135.90 REMARK 500 7 ALA A 53 -160.73 -127.08 REMARK 500 7 ASP A 63 -159.62 51.68 REMARK 500 7 ALA A 65 -37.99 -156.73 REMARK 500 7 LEU A 66 94.75 58.31 REMARK 500 7 PRO A 68 -172.69 -63.36 REMARK 500 7 THR A 69 -99.41 -137.63 REMARK 500 7 LYS A 70 -24.52 -176.62 REMARK 500 7 SER A 71 98.92 -49.77 REMARK 500 7 LYS A 79 86.99 55.95 REMARK 500 7 CYS A 81 64.46 -107.83 REMARK 500 8 TYR A 2 -164.94 55.04 REMARK 500 8 LYS A 3 -91.59 58.06 REMARK 500 8 ASP A 5 -78.18 -89.77 REMARK 500 8 ASP A 6 -82.84 -103.60 REMARK 500 8 THR A 12 99.68 60.07 REMARK 500 8 TYR A 14 -84.77 -131.34 REMARK 500 8 SER A 19 -169.30 -68.36 REMARK 500 8 LYS A 30 90.36 -58.27 REMARK 500 8 ARG A 48 -47.93 -151.24 REMARK 500 8 THR A 51 98.83 -161.14 REMARK 500 8 ALA A 61 -84.26 -70.30 REMARK 500 8 ALA A 64 17.64 -151.36 REMARK 500 8 THR A 69 -73.09 -148.73 REMARK 500 8 SER A 71 -79.56 -76.74 REMARK 500 8 VAL A 75 144.54 -170.00 REMARK 500 8 ARG A 80 -156.64 -124.68 REMARK 500 8 CYS A 81 72.60 57.27 REMARK 500 8 LEU A 84 -39.19 -140.41 REMARK 500 9 ASP A 4 -78.56 -150.35 REMARK 500 9 ASP A 6 -75.12 -108.06 REMARK 500 9 LEU A 11 22.87 -146.36 REMARK 500 9 LYS A 30 85.58 -64.74 REMARK 500 9 ARG A 48 -38.00 -131.01 REMARK 500 9 THR A 51 89.59 -157.87 REMARK 500 9 ALA A 53 -160.28 -127.59 REMARK 500 9 ALA A 61 -84.41 -79.24 REMARK 500 9 ALA A 64 -77.90 -101.10 REMARK 500 9 ALA A 65 28.68 -161.11 REMARK 500 9 THR A 69 10.80 -158.36 REMARK 500 9 LYS A 70 121.96 64.77 REMARK 500 9 SER A 71 -164.10 -128.34 REMARK 500 9 ARG A 80 32.00 -98.96 REMARK 500 9 CYS A 81 33.00 -144.88 REMARK 500 10 LYS A 3 -80.79 -113.43 REMARK 500 10 ASP A 6 -65.46 -157.32 REMARK 500 10 ASP A 7 -167.01 58.08 REMARK 500 10 SER A 27 139.06 -175.96 REMARK 500 10 ARG A 48 -41.73 -150.42 REMARK 500 10 LYS A 56 117.98 -162.11 REMARK 500 10 ALA A 61 -159.65 -71.80 REMARK 500 10 ASP A 62 90.27 -66.44 REMARK 500 10 ALA A 64 11.92 -162.49 REMARK 500 10 PRO A 68 -178.50 -69.29 REMARK 500 10 THR A 69 -46.47 -162.72 REMARK 500 10 LYS A 70 -161.46 -164.86 REMARK 500 10 SER A 71 -80.41 -105.84 REMARK 500 10 CYS A 81 85.44 55.95 REMARK 500 10 LEU A 84 -66.57 -148.71 REMARK 500 11 ASP A 5 -79.59 -145.02 REMARK 500 11 THR A 12 -170.27 57.35 REMARK 500 11 GLN A 15 94.81 -161.95 REMARK 500 11 VAL A 18 158.43 63.92 REMARK 500 11 ALA A 25 109.48 -54.61 REMARK 500 11 SER A 27 149.94 -171.73 REMARK 500 11 ARG A 48 -58.90 -154.23 REMARK 500 11 ALA A 61 -153.55 -81.16 REMARK 500 11 ASP A 62 91.07 -64.33 REMARK 500 11 ALA A 64 10.59 -156.55 REMARK 500 11 LYS A 70 121.47 64.91 REMARK 500 11 CYS A 81 89.61 -154.59 REMARK 500 12 TYR A 2 -160.48 40.52 REMARK 500 12 LYS A 3 -83.45 -125.17 REMARK 500 12 ASP A 4 -79.67 -152.11 REMARK 500 12 ASP A 6 -79.42 -140.15 REMARK 500 12 LEU A 11 -72.83 -143.15 REMARK 500 12 ALA A 25 106.56 -59.12 REMARK 500 12 SER A 27 140.33 -177.06 REMARK 500 12 LYS A 30 93.79 -59.10 REMARK 500 12 ALA A 45 14.67 -142.61 REMARK 500 12 ALA A 61 -87.82 -67.83 REMARK 500 12 ASP A 62 80.88 -151.29 REMARK 500 12 ALA A 65 2.40 -170.11 REMARK 500 12 THR A 69 -44.97 -151.03 REMARK 500 12 SER A 71 73.63 -104.70 REMARK 500 12 ASN A 78 -10.68 -140.04 REMARK 500 12 LYS A 79 83.90 56.15 REMARK 500 12 ARG A 80 19.64 -142.29 REMARK 500 12 CYS A 81 54.04 -115.96 REMARK 500 12 LEU A 83 -83.29 -123.44 REMARK 500 12 LEU A 84 -3.65 -161.95 REMARK 500 13 LYS A 3 -169.01 57.85 REMARK 500 13 ASP A 4 -36.37 -161.31 REMARK 500 13 ASP A 6 -79.72 -91.28 REMARK 500 13 LYS A 8 -165.50 56.84 REMARK 500 13 LEU A 11 -31.57 -159.92 REMARK 500 13 GLN A 15 -26.10 72.90 REMARK 500 13 SER A 19 -179.37 -68.44 REMARK 500 13 SER A 27 141.16 -170.99 REMARK 500 13 LYS A 30 90.21 -58.00 REMARK 500 13 ARG A 48 -41.28 -133.35 REMARK 500 13 ALA A 53 -161.22 -126.33 REMARK 500 13 ALA A 61 -161.62 -68.65 REMARK 500 13 ASP A 62 95.07 -61.65 REMARK 500 13 ALA A 64 15.18 -166.70 REMARK 500 13 THR A 69 -78.76 -142.10 REMARK 500 13 LYS A 70 122.42 -170.45 REMARK 500 13 LYS A 79 96.16 58.79 REMARK 500 13 ARG A 80 91.04 58.79 REMARK 500 13 CYS A 81 68.48 -111.38 REMARK 500 14 LYS A 3 -160.45 43.78 REMARK 500 14 ASP A 4 -19.64 -144.47 REMARK 500 14 ASP A 7 77.13 55.85 REMARK 500 14 VAL A 18 150.91 64.93 REMARK 500 14 LYS A 30 94.18 -62.50 REMARK 500 14 ARG A 48 -38.98 -160.29 REMARK 500 14 LYS A 56 118.93 -163.23 REMARK 500 14 ALA A 65 7.15 -164.24 REMARK 500 14 PRO A 68 -174.99 -69.26 REMARK 500 14 THR A 69 -75.83 -134.31 REMARK 500 14 LYS A 70 -30.69 -170.89 REMARK 500 14 SER A 71 99.18 -62.88 REMARK 500 14 LEU A 84 -37.39 -145.99 REMARK 500 15 ASP A 4 -90.05 58.75 REMARK 500 15 ASP A 5 -81.39 -111.65 REMARK 500 15 ASP A 6 -80.70 -147.35 REMARK 500 15 CYS A 13 -76.52 -71.07 REMARK 500 15 GLN A 15 -41.05 -172.63 REMARK 500 15 VAL A 18 -169.44 47.77 REMARK 500 15 LYS A 30 89.42 -59.40 REMARK 500 15 ARG A 48 -59.37 -147.92 REMARK 500 15 THR A 51 94.80 -160.01 REMARK 500 15 LYS A 56 119.44 -164.23 REMARK 500 15 ALA A 61 -89.27 -74.60 REMARK 500 15 ASN A 78 -78.95 -119.09 REMARK 500 15 LYS A 79 -72.01 -165.97 REMARK 500 16 LYS A 3 -166.91 57.48 REMARK 500 16 ASP A 5 171.77 61.94 REMARK 500 16 ASP A 6 -38.58 -133.83 REMARK 500 16 LYS A 8 -78.37 -104.61 REMARK 500 16 CYS A 13 -163.54 56.54 REMARK 500 16 TYR A 14 -83.42 -115.15 REMARK 500 16 LYS A 30 94.89 -60.59 REMARK 500 16 ARG A 48 -38.95 -131.98 REMARK 500 16 ALA A 53 -160.36 -128.52 REMARK 500 16 LYS A 56 122.95 -172.27 REMARK 500 16 ALA A 61 -92.67 -64.32 REMARK 500 16 THR A 69 -63.40 -149.03 REMARK 500 16 SER A 71 55.60 -107.13 REMARK 500 16 VAL A 75 141.83 -170.01 REMARK 500 16 ARG A 80 32.65 -92.14 REMARK 500 17 LYS A 3 -170.60 58.86 REMARK 500 17 ASP A 4 -79.78 -81.95 REMARK 500 17 ASP A 5 -32.27 -142.73 REMARK 500 17 ASP A 6 -78.49 -161.94 REMARK 500 17 ASP A 7 -65.56 -155.82 REMARK 500 17 VAL A 18 -168.19 46.95 REMARK 500 17 SER A 27 148.95 -173.57 REMARK 500 17 ARG A 48 -39.34 -140.74 REMARK 500 17 ALA A 53 -157.91 -122.76 REMARK 500 17 LYS A 56 118.09 -163.19 REMARK 500 17 ALA A 64 -80.43 -144.56 REMARK 500 17 THR A 69 -57.32 -161.70 REMARK 500 17 SER A 71 -86.90 -88.57 REMARK 500 17 LYS A 79 98.68 60.34 REMARK 500 17 LEU A 83 -35.49 -155.67 REMARK 500 17 LEU A 84 -90.89 58.54 REMARK 500 18 ASP A 5 -89.77 59.31 REMARK 500 18 ASP A 6 -81.97 -120.59 REMARK 500 18 LYS A 8 -76.77 -83.47 REMARK 500 18 LEU A 11 82.06 56.09 REMARK 500 18 VAL A 18 -165.65 45.61 REMARK 500 18 ARG A 48 -77.23 -153.44 REMARK 500 18 THR A 51 100.62 -160.93 REMARK 500 18 ALA A 53 -159.35 -131.28 REMARK 500 18 ALA A 61 -83.11 -103.58 REMARK 500 18 ALA A 65 -4.65 -173.11 REMARK 500 18 THR A 69 -24.45 -162.47 REMARK 500 18 SER A 71 -157.49 -110.77 REMARK 500 18 GLU A 85 -81.84 -74.32 REMARK 500 19 ASP A 4 -79.71 -140.61 REMARK 500 19 ASP A 5 -80.66 -141.94 REMARK 500 19 LYS A 8 -79.72 -77.35 REMARK 500 19 GLN A 15 -8.41 -144.73 REMARK 500 19 SER A 19 -163.16 -68.65 REMARK 500 19 ARG A 48 -53.63 -160.43 REMARK 500 19 ALA A 53 -159.59 -122.74 REMARK 500 19 LYS A 56 118.39 -162.04 REMARK 500 19 ALA A 61 -76.01 -81.41 REMARK 500 19 ALA A 64 -72.63 -81.55 REMARK 500 19 ALA A 65 15.18 -149.91 REMARK 500 19 PRO A 68 -177.86 -69.35 REMARK 500 19 THR A 69 -83.41 -166.72 REMARK 500 19 LYS A 70 137.90 -175.40 REMARK 500 19 LYS A 79 89.97 -154.10 REMARK 500 19 CYS A 81 65.56 -105.13 REMARK 500 20 ASP A 5 -83.16 -114.00 REMARK 500 20 ASP A 6 -35.19 -147.59 REMARK 500 20 CYS A 13 -0.51 -149.71 REMARK 500 20 GLN A 15 -90.12 59.44 REMARK 500 20 VAL A 18 145.02 66.17 REMARK 500 20 SER A 27 148.87 -172.05 REMARK 500 20 LYS A 30 56.53 -114.42 REMARK 500 20 ARG A 48 -57.34 -146.28 REMARK 500 20 ALA A 53 -160.26 -128.74 REMARK 500 20 LYS A 56 119.75 -166.81 REMARK 500 20 ALA A 61 -157.06 -90.64 REMARK 500 20 ASP A 62 95.07 -62.63 REMARK 500 20 ALA A 64 7.86 -164.53 REMARK 500 20 THR A 69 -55.76 -164.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: AUTHOR PROVIDED. REMARK 999 REMARK 999 SEQUENCE REMARK 999 11 NON-NATIVE RESIDUES N-TERMINAL TO THR712 DBREF 1HKY A 1 11 PDB 1HKY 1HKY 1 11 DBREF 1HKY A 12 86 UNP Q9U966 Q9U966 712 786 SEQRES 1 A 86 ASP TYR LYS ASP ASP ASP ASP LYS VAL LYS LEU THR CYS SEQRES 2 A 86 TYR GLN ASN GLY VAL SER PHE THR GLY GLY LYS ALA ILE SEQRES 3 A 86 SER GLU ALA LYS ALA ALA SER SER GLN ALA CYS GLN GLU SEQRES 4 A 86 LEU CYS GLU LYS ASP ALA LYS CYS ARG PHE PHE THR LEU SEQRES 5 A 86 ALA SER GLY LYS CYS SER LEU PHE ALA ASP ASP ALA ALA SEQRES 6 A 86 LEU ARG PRO THR LYS SER ASP GLY ALA VAL SER GLY ASN SEQRES 7 A 86 LYS ARG CYS ILE LEU LEU GLU ASP HELIX 1 1 SER A 33 ASP A 44 1 12 SHEET 1 A 5 GLN A 15 ASN A 16 0 SHEET 2 A 5 VAL A 75 SER A 76 -1 O SER A 76 N GLN A 15 SHEET 3 A 5 THR A 51 LEU A 52 -1 O LEU A 52 N VAL A 75 SHEET 4 A 5 CYS A 57 LEU A 59 -1 O SER A 58 N THR A 51 SHEET 5 A 5 SER A 27 ALA A 29 -1 O SER A 27 N LEU A 59 SSBOND 1 CYS A 13 CYS A 81 1555 1555 2.03 SSBOND 2 CYS A 37 CYS A 57 1555 1555 2.03 SSBOND 3 CYS A 41 CYS A 47 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 - r 25 2 Bytes