Header list of 1bei.pdb file
Complete list - 21 20 Bytes
HEADER POTASSIUM CHANNEL INHIBITOR 14-MAY-98 1BEI TITLE SHK-DNP22: A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE POLYPEPTIDE, NMR, TITLE 2 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SHK-DNP22; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; SOURCE 3 ORGANISM_TAXID: 6123 KEYWDS POTASSIUM CHANNEL INHIBITOR, SEA ANEMONE, IMMUNOSUPPRESSANT KEYWDS 2 NEUROTOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR K.KALMAN,M.W.PENNINGTON,M.D.LANIGAN,A.NGUYEN,H.RAUER,V.MAHNIR, AUTHOR 2 G.A.GUTMAN,K.PASCHETTO,W.R.KEM,S.GRISSMER,E.P.CHRISTIAN,M.D.CAHALAN, AUTHOR 3 R.S.NORTON,K.G.CHANDY REVDAT 5 21-DEC-22 1BEI 1 SEQADV REVDAT 4 16-FEB-22 1BEI 1 REMARK LINK REVDAT 3 24-FEB-09 1BEI 1 VERSN REVDAT 2 13-JAN-99 1BEI 1 COMPND REMARK TITLE SOURCE REVDAT 2 2 1 JRNL KEYWDS REVDAT 1 02-DEC-98 1BEI 0 JRNL AUTH K.KALMAN,M.W.PENNINGTON,M.D.LANIGAN,A.NGUYEN,H.RAUER, JRNL AUTH 2 V.MAHNIR,K.PASCHETTO,W.R.KEM,S.GRISSMER,G.A.GUTMAN, JRNL AUTH 3 E.P.CHRISTIAN,M.D.CAHALAN,R.S.NORTON,K.G.CHANDY JRNL TITL SHK-DAP22, A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE JRNL TITL 2 POLYPEPTIDE. JRNL REF J.BIOL.CHEM. V. 273 32697 1998 JRNL REFN ISSN 0021-9258 JRNL PMID 9830012 JRNL DOI 10.1074/JBC.273.49.32697 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES REFINED USING SIMULATED REMARK 3 ANNEALING FOLLOWED BY CHARMM MINIMISATION REMARK 4 REMARK 4 1BEI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000171660. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 4.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 10% D2O OR 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQF-COSY; E-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA REMARK 210 METHOD USED : DISTANCE GEOMETRY REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST STEREOCHEMICAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 2D NMR SPECTROSCOPY ON REMARK 210 SYNTHETIC SHK-DNP22 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: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 1 HIS A 19 NE2 HIS A 19 CD2 -0.066 REMARK 500 2 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 3 HIS A 19 NE2 HIS A 19 CD2 -0.066 REMARK 500 4 HIS A 19 NE2 HIS A 19 CD2 -0.066 REMARK 500 5 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 6 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 7 HIS A 19 NE2 HIS A 19 CD2 -0.068 REMARK 500 8 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 9 HIS A 19 NE2 HIS A 19 CD2 -0.066 REMARK 500 10 HIS A 19 NE2 HIS A 19 CD2 -0.068 REMARK 500 11 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 13 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 15 HIS A 19 NE2 HIS A 19 CD2 -0.067 REMARK 500 18 HIS A 19 NE2 HIS A 19 CD2 -0.066 REMARK 500 20 HIS A 19 NE2 HIS A 19 CD2 -0.069 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 1 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 1 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 1 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.0 DEGREES REMARK 500 1 CYS A 35 CA - CB - SG ANGL. DEV. = 7.2 DEGREES REMARK 500 2 CYS A 17 CA - CB - SG ANGL. DEV. = 6.6 DEGREES REMARK 500 2 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES REMARK 500 2 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.1 DEGREES REMARK 500 3 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 3 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 4 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 4 ARG A 24 CD - NE - CZ ANGL. DEV. = -8.5 DEGREES REMARK 500 4 ARG A 24 NH1 - CZ - NH2 ANGL. DEV. = 6.9 DEGREES REMARK 500 4 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -4.5 DEGREES REMARK 500 5 ARG A 1 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES REMARK 500 5 CYS A 3 CA - CB - SG ANGL. DEV. = 6.6 DEGREES REMARK 500 5 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 5 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES REMARK 500 6 ARG A 1 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES REMARK 500 6 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -4.4 DEGREES REMARK 500 6 PHE A 27 CB - CG - CD1 ANGL. DEV. = 4.2 DEGREES REMARK 500 6 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -5.9 DEGREES REMARK 500 7 ARG A 24 NH1 - CZ - NH2 ANGL. DEV. = 6.6 DEGREES REMARK 500 7 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -3.9 DEGREES REMARK 500 7 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 7 CYS A 35 CA - CB - SG ANGL. DEV. = 7.0 DEGREES REMARK 500 8 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 8 ARG A 24 NH1 - CZ - NH2 ANGL. DEV. = 7.3 DEGREES REMARK 500 8 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -5.3 DEGREES REMARK 500 8 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES REMARK 500 9 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 9 ARG A 24 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 9 ARG A 29 NH1 - CZ - NH2 ANGL. DEV. = 7.1 DEGREES REMARK 500 9 ARG A 29 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 10 ARG A 11 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES REMARK 500 10 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -5.2 DEGREES REMARK 500 10 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES REMARK 500 11 ARG A 1 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 11 CYS A 17 CA - CB - SG ANGL. DEV. = 7.2 DEGREES REMARK 500 11 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -4.4 DEGREES REMARK 500 11 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES REMARK 500 11 CYS A 35 CA - CB - SG ANGL. DEV. = 7.1 DEGREES REMARK 500 12 CYS A 3 CA - CB - SG ANGL. DEV. = 9.3 DEGREES REMARK 500 12 ARG A 11 NE - CZ - NH1 ANGL. DEV. = -3.6 DEGREES REMARK 500 12 CYS A 17 CA - CB - SG ANGL. DEV. = 6.8 DEGREES REMARK 500 12 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -4.6 DEGREES REMARK 500 12 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES REMARK 500 13 ARG A 24 NH1 - CZ - NH2 ANGL. DEV. = 6.9 DEGREES REMARK 500 13 ARG A 24 NE - CZ - NH1 ANGL. DEV. = -4.0 DEGREES REMARK 500 14 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.7 DEGREES REMARK 500 15 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 68 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 THR A 6 28.39 -146.39 REMARK 500 1 CYS A 12 46.11 -96.44 REMARK 500 1 HIS A 19 -44.90 -137.07 REMARK 500 1 SER A 20 75.11 -112.85 REMARK 500 1 ARG A 24 -0.63 -57.32 REMARK 500 1 LEU A 25 -86.20 -77.46 REMARK 500 1 CYS A 28 43.99 -109.83 REMARK 500 1 ARG A 29 -60.97 -29.48 REMARK 500 1 THR A 31 -38.43 -30.48 REMARK 500 2 THR A 6 24.48 -144.19 REMARK 500 2 CYS A 12 54.11 -93.65 REMARK 500 2 HIS A 19 -48.10 -144.95 REMARK 500 2 LEU A 25 -83.66 -73.02 REMARK 500 2 CYS A 28 46.32 -104.66 REMARK 500 2 ARG A 29 -62.90 -29.82 REMARK 500 2 THR A 31 -34.63 -34.47 REMARK 500 3 CYS A 3 146.68 179.72 REMARK 500 3 THR A 6 19.35 -143.93 REMARK 500 3 CYS A 12 46.97 -82.87 REMARK 500 3 HIS A 19 -26.73 -140.39 REMARK 500 3 TYR A 23 -62.78 -91.02 REMARK 500 3 ARG A 24 -0.52 -53.51 REMARK 500 3 LEU A 25 -76.23 -94.85 REMARK 500 3 CYS A 28 42.21 -109.26 REMARK 500 4 THR A 6 30.12 -153.22 REMARK 500 4 CYS A 12 38.08 -95.14 REMARK 500 4 DNP A 22 -3.81 -58.46 REMARK 500 4 TYR A 23 -67.08 -120.68 REMARK 500 5 THR A 6 27.09 -149.87 REMARK 500 5 CYS A 12 42.63 -99.24 REMARK 500 5 ARG A 24 27.73 -72.14 REMARK 500 5 LEU A 25 -84.06 -113.61 REMARK 500 5 CYS A 28 47.38 -106.93 REMARK 500 5 ARG A 29 -62.20 -29.80 REMARK 500 6 THR A 6 31.09 -154.16 REMARK 500 6 CYS A 12 48.00 -93.87 REMARK 500 6 SER A 20 71.22 -104.25 REMARK 500 6 MET A 21 70.54 -65.77 REMARK 500 6 DNP A 22 -57.33 -162.00 REMARK 500 6 ARG A 24 28.67 -75.01 REMARK 500 6 LEU A 25 -85.13 -121.97 REMARK 500 6 ARG A 29 -55.76 -29.52 REMARK 500 7 THR A 6 35.67 -144.42 REMARK 500 7 PRO A 8 108.04 -55.65 REMARK 500 7 CYS A 12 39.54 -97.30 REMARK 500 7 ALA A 14 -37.59 -36.33 REMARK 500 7 MET A 21 81.75 -69.48 REMARK 500 7 DNP A 22 -61.10 -158.33 REMARK 500 7 ARG A 24 17.16 -66.53 REMARK 500 7 SER A 26 19.61 -148.49 REMARK 500 REMARK 500 THIS ENTRY HAS 146 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ILE A 7 PRO A 8 4 145.54 REMARK 500 ILE A 7 PRO A 8 5 147.43 REMARK 500 ILE A 7 PRO A 8 7 147.66 REMARK 500 ILE A 7 PRO A 8 13 148.33 REMARK 500 ILE A 7 PRO A 8 19 144.43 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 1 0.18 SIDE CHAIN REMARK 500 1 ARG A 11 0.30 SIDE CHAIN REMARK 500 1 ARG A 24 0.30 SIDE CHAIN REMARK 500 1 ARG A 29 0.30 SIDE CHAIN REMARK 500 2 ARG A 1 0.32 SIDE CHAIN REMARK 500 2 ARG A 11 0.31 SIDE CHAIN REMARK 500 2 ARG A 24 0.28 SIDE CHAIN REMARK 500 2 ARG A 29 0.32 SIDE CHAIN REMARK 500 3 ARG A 1 0.24 SIDE CHAIN REMARK 500 3 ARG A 11 0.32 SIDE CHAIN REMARK 500 3 ARG A 24 0.30 SIDE CHAIN REMARK 500 3 ARG A 29 0.32 SIDE CHAIN REMARK 500 4 ARG A 1 0.31 SIDE CHAIN REMARK 500 4 ARG A 11 0.30 SIDE CHAIN REMARK 500 4 ARG A 24 0.33 SIDE CHAIN REMARK 500 4 ARG A 29 0.21 SIDE CHAIN REMARK 500 5 ARG A 1 0.30 SIDE CHAIN REMARK 500 5 ARG A 11 0.30 SIDE CHAIN REMARK 500 5 ARG A 24 0.19 SIDE CHAIN REMARK 500 5 ARG A 29 0.30 SIDE CHAIN REMARK 500 6 ARG A 1 0.31 SIDE CHAIN REMARK 500 6 ARG A 11 0.28 SIDE CHAIN REMARK 500 6 ARG A 24 0.27 SIDE CHAIN REMARK 500 6 ARG A 29 0.31 SIDE CHAIN REMARK 500 7 ARG A 1 0.30 SIDE CHAIN REMARK 500 7 ARG A 11 0.31 SIDE CHAIN REMARK 500 7 ARG A 24 0.30 SIDE CHAIN REMARK 500 7 ARG A 29 0.23 SIDE CHAIN REMARK 500 8 ARG A 1 0.31 SIDE CHAIN REMARK 500 8 ARG A 11 0.30 SIDE CHAIN REMARK 500 8 ARG A 24 0.33 SIDE CHAIN REMARK 500 8 ARG A 29 0.30 SIDE CHAIN REMARK 500 9 ARG A 1 0.31 SIDE CHAIN REMARK 500 9 ARG A 11 0.29 SIDE CHAIN REMARK 500 9 ARG A 24 0.30 SIDE CHAIN REMARK 500 9 ARG A 29 0.28 SIDE CHAIN REMARK 500 10 ARG A 1 0.31 SIDE CHAIN REMARK 500 10 ARG A 11 0.29 SIDE CHAIN REMARK 500 10 ARG A 24 0.31 SIDE CHAIN REMARK 500 10 ARG A 29 0.30 SIDE CHAIN REMARK 500 11 ARG A 1 0.29 SIDE CHAIN REMARK 500 11 ARG A 11 0.31 SIDE CHAIN REMARK 500 11 ARG A 24 0.30 SIDE CHAIN REMARK 500 11 ARG A 29 0.21 SIDE CHAIN REMARK 500 12 ARG A 1 0.30 SIDE CHAIN REMARK 500 12 ARG A 11 0.31 SIDE CHAIN REMARK 500 12 ARG A 24 0.23 SIDE CHAIN REMARK 500 12 ARG A 29 0.29 SIDE CHAIN REMARK 500 13 ARG A 1 0.32 SIDE CHAIN REMARK 500 13 ARG A 11 0.29 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 80 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1BEI A 1 35 UNP P29187 TXSHK_STOHE 1 35 SEQADV 1BEI DNP A 22 UNP P29187 LYS 22 ENGINEERED MUTATION SEQRES 1 A 35 ARG SER CYS ILE ASP THR ILE PRO LYS SER ARG CYS THR SEQRES 2 A 35 ALA PHE GLN CYS LYS HIS SER MET DNP TYR ARG LEU SER SEQRES 3 A 35 PHE CYS ARG LYS THR CYS GLY THR CYS MODRES 1BEI DNP A 22 ALA 3-AMINO-ALANINE HET DNP A 22 13 HETNAM DNP 3-AMINO-ALANINE FORMUL 1 DNP C3 H9 N2 O2 1+ HELIX 1 1 ALA A 14 HIS A 19 1 6 HELIX 2 2 MET A 21 ARG A 24 5 4 HELIX 3 3 ARG A 29 CYS A 32 1 4 SSBOND 1 CYS A 3 CYS A 35 1555 1555 2.02 SSBOND 2 CYS A 12 CYS A 28 1555 1555 2.02 SSBOND 3 CYS A 17 CYS A 32 1555 1555 2.03 LINK C MET A 21 N DNP A 22 1555 1555 1.31 LINK C DNP A 22 N TYR A 23 1555 1555 1.31 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 - 21 20 Bytes