Header list of 1r8t.pdb file
Complete list - 2 20 Bytes
HEADER UNKNOWN FUNCTION 28-OCT-03 1R8T TITLE SOLUTION STRUCTURES OF HIGH AFFINITY MINIPROTEIN LIGANDS TO TITLE 2 STREPTAVIDIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: MP1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: THIS SEQUENCE WAS IDENTIFIED TO BE A HIGH AFFINITY COMPND 6 STREPTAVIDIN BINDING LIGAND BY PHAGE DISPLAY SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS MINIPROTEIN, STREPTAVIDIN, HIGH-AFFINITY, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 30 AUTHOR J.LUO,M.MUKHERJEE,X.FAN,H.YANG,D.LIU,R.KHAN,M.WHITE,R.O.FOX REVDAT 3 02-MAR-22 1R8T 1 REMARK REVDAT 2 24-FEB-09 1R8T 1 VERSN REVDAT 1 15-FEB-05 1R8T 0 JRNL AUTH J.LUO,M.MUKHERJEE,X.FAN,H.YANG,D.LIU,R.KHAN,M.WHITE,R.O.FOX JRNL TITL STRUCTURE-BASED DESIGN OF HIGH AFFINITY MINIPROTEIN LIGANDS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1, CNS 1.1 REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1R8T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-OCT-03. REMARK 100 THE DEPOSITION ID IS D_1000020579. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 5.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.3 MM MP1, 20MM SODIUM REMARK 210 ACETATE(D3), PH 5.3, 90% H2O AND REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY & SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 21 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR EXPERIMENTS. 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: 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 ALA A 10 41.72 -93.41 REMARK 500 1 SER A 12 47.69 -140.54 REMARK 500 1 ARG A 14 -48.39 -160.01 REMARK 500 2 CYS A 2 118.01 -160.01 REMARK 500 2 SER A 12 51.83 -149.32 REMARK 500 2 ARG A 14 81.13 -159.96 REMARK 500 3 CYS A 2 54.12 -141.42 REMARK 500 3 ALA A 10 37.25 -93.24 REMARK 500 3 SER A 12 47.19 -149.16 REMARK 500 3 ARG A 14 -67.55 -160.02 REMARK 500 4 ALA A 10 37.08 -93.30 REMARK 500 4 SER A 12 47.19 -149.14 REMARK 500 5 CYS A 2 49.54 -144.51 REMARK 500 5 ALA A 10 41.85 -94.55 REMARK 500 5 SER A 12 47.33 -150.91 REMARK 500 5 ARG A 14 -65.69 -160.01 REMARK 500 6 TYR A 11 -178.45 -66.50 REMARK 500 6 SER A 12 53.25 -152.57 REMARK 500 6 ARG A 14 -48.16 -135.28 REMARK 500 7 CYS A 2 55.80 -153.68 REMARK 500 7 ALA A 10 37.40 -94.26 REMARK 500 7 SER A 12 47.13 -144.94 REMARK 500 7 CYS A 13 -173.83 -69.80 REMARK 500 8 CYS A 2 66.49 -152.74 REMARK 500 8 ALA A 10 36.27 -94.20 REMARK 500 8 SER A 12 47.12 -147.02 REMARK 500 8 ARG A 14 -69.29 -159.46 REMARK 500 9 ALA A 10 38.40 -93.51 REMARK 500 9 SER A 12 50.20 -146.65 REMARK 500 9 CYS A 13 -169.87 -59.99 REMARK 500 9 ARG A 14 36.96 -98.29 REMARK 500 10 ALA A 10 35.14 -94.95 REMARK 500 10 SER A 12 47.54 -152.49 REMARK 500 10 ARG A 14 -61.87 -152.58 REMARK 500 11 CYS A 2 53.32 -145.61 REMARK 500 11 ALA A 10 39.12 -93.89 REMARK 500 11 SER A 12 52.17 -142.53 REMARK 500 11 ARG A 14 33.44 -159.96 REMARK 500 12 ALA A 10 33.75 -94.04 REMARK 500 12 SER A 12 50.49 -146.89 REMARK 500 13 CYS A 2 98.68 -160.03 REMARK 500 13 ALA A 10 36.88 -92.15 REMARK 500 14 PRO A 5 40.49 -70.29 REMARK 500 14 TYR A 11 -178.06 -62.00 REMARK 500 15 TYR A 11 -178.53 -69.43 REMARK 500 15 SER A 12 54.20 -141.95 REMARK 500 15 ARG A 14 -67.57 -159.98 REMARK 500 16 CYS A 2 69.77 -155.50 REMARK 500 16 ALA A 10 35.24 -94.13 REMARK 500 16 SER A 12 47.04 -149.49 REMARK 500 REMARK 500 THIS ENTRY HAS 87 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HY2 RELATED DB: PDB REMARK 900 MINIPROTEIN MP1 COMPLEX WITH STREPTAVIDIN REMARK 900 RELATED ID: 1NOT RELATED DB: PDB REMARK 900 1.2 ANGSTROM STRUCTURE OF GI CONOTOXIN DBREF 1R8T A 1 15 PDB 1R8T 1R8T 1 15 SEQRES 1 A 15 ARG CYS CYS HIS PRO GLN CYS GLY ALA ALA TYR SER CYS SEQRES 2 A 15 ARG LYS HELIX 1 1 CYS A 7 TYR A 11 5 5 SSBOND 1 CYS A 2 CYS A 7 1555 1555 2.03 SSBOND 2 CYS A 3 CYS A 13 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 - 2 20 Bytes