Header list of 1agg.pdb file
Complete list - b 12 2 Bytes
HEADER NEUROTOXIN 03-NOV-95 1AGG
TITLE THE SOLUTION STRUCTURE OF OMEGA-AGA-IVB, A P-TYPE CALCIUM CHANNEL
TITLE 2 ANTAGONIST FROM THE VENOM OF AGELENOPSIS APERTA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: OMEGA-AGATOXIN-IVB;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: OMEGA-AGA-IVB
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA;
SOURCE 3 ORGANISM_TAXID: 6908
KEYWDS NEUROTOXIN, P-TYPE CALCIUM CHANNEL ANTAGONIST
EXPDTA SOLUTION NMR
NUMMDL 24
AUTHOR M.D.REILY,V.THANABAL,M.E.ADAMS
REVDAT 5 05-FEB-14 1AGG 1 ATOM REMARK VERSN
REVDAT 4 19-MAY-09 1AGG 1 REMARK
REVDAT 3 24-FEB-09 1AGG 1 VERSN
REVDAT 2 01-APR-03 1AGG 1 JRNL
REVDAT 1 08-MAR-96 1AGG 0
JRNL AUTH M.D.REILY,V.THANABAL,M.E.ADAMS
JRNL TITL THE SOLUTION STRUCTURE OF OMEGA-AGA-IVB, A P-TYPE CALCIUM
JRNL TITL 2 CHANNEL ANTAGONIST FROM VENOM OF THE FUNNEL WEB SPIDER,
JRNL TITL 3 AGELENOPSIS APERTA.
JRNL REF J.BIOMOL.NMR V. 5 122 1995
JRNL REFN ISSN 0925-2738
JRNL PMID 7703698
JRNL DOI 10.1007/BF00208803
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.D.REILY,K.E.HOLUB,W.R.GRAY,T.M.NORRIS,M.E.ADAMS
REMARK 1 TITL STRUCTURE-ACTIVITY RELATIONSHIPS FOR P-TYPE CALCIUM CHANNEL
REMARK 1 TITL 2 SELECTIVE OMEGA-AGATOXINS
REMARK 1 REF NAT.STRUCT.BIOL. V. 1 853 1994
REMARK 1 REFN ISSN 1072-8368
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.E.ADAMS,I.M.MINTZ,M.D.REILY,V.THANABAL,B.P.BEAN
REMARK 1 TITL STRUCTURE AND PROPERTIES OF OMEGA-AGA-IVB, A NEW ANTAGONIST
REMARK 1 TITL 2 OF P-TYPE CALCIUM CHANNELS
REMARK 1 REF MOL.PHARMACOL. V. 44 681 1993
REMARK 1 REFN ISSN 0026-895X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII AND DISCOVER
REMARK 3 AUTHORS : BIOSYM TECHNOLOGIES
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE 3 N-TERMINAL AND 9 C-TERMINAL AMINO
REMARK 3 ACIDS ARE HIGHLY DISORDERED. DGII STRUCTURES WERE GENERATED WITH
REMARK 3 NOE, OMEGA-TORSION AND PHI-TORSION CONSTRAINTS AND A
REMARK 3 MINIMIZATION/DYNAMICS PROTOCOL WAS USED TO FURTHER REFINE THE
REMARK 3 DISTANCE GEOMETRY STRUCTURES. THE PROTOCOL CONSISTED OF 100 STEPS
REMARK 3 OF STEEPEST DESCENTS FOLLOWED BY 500 STEPS OF CONJUGATE GRADIENT
REMARK 3 MINIMIZATION WITHOUT CONSTRAINTS. ALL CONSTRAINTS WERE APPLIED
REMARK 3 AND EACH STRUCTURE SUBJECTED TO 500 STEPS OF CONJUGATE GRADIENT
REMARK 3 MINIMIZATION, 5 PS OF 300K MOLECULAR DYNAMICS, 500 STEPS OF
REMARK 3 CONJUGATE GRADIENT AND 100 STEEPEST DESCENTS MINIMIZATION. SOME
REMARK 3 MODELS WILL CONTAIN RESIDUES THAT HAVE UNFAVORABLE CONFORMATIONS,
REMARK 3 TYPICALLY IN THE DISORDERED REGIONS.
REMARK 4
REMARK 4 1AGG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
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 : 24
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 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 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 1 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 1 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 1 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 1 ALA A 48 C ALA A 48 OXT 0.148
REMARK 500 2 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 2 GLU A 7 CD GLU A 7 OE2 0.119
REMARK 500 2 GLU A 35 CD GLU A 35 OE2 0.119
REMARK 500 2 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 2 ALA A 48 C ALA A 48 OXT 0.148
REMARK 500 3 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 3 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 3 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 3 GLU A 43 CD GLU A 43 OE2 0.119
REMARK 500 3 ALA A 48 C ALA A 48 OXT 0.148
REMARK 500 4 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 4 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 4 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 4 GLU A 43 CD GLU A 43 OE2 0.119
REMARK 500 4 ALA A 48 C ALA A 48 OXT 0.148
REMARK 500 5 GLU A 1 CD GLU A 1 OE2 0.119
REMARK 500 5 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 5 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 5 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 5 ALA A 48 C ALA A 48 OXT 0.143
REMARK 500 6 GLU A 1 CD GLU A 1 OE2 0.119
REMARK 500 6 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 6 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 6 GLU A 43 CD GLU A 43 OE2 0.119
REMARK 500 6 ALA A 48 C ALA A 48 OXT 0.143
REMARK 500 7 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 7 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 7 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 7 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 7 ALA A 48 C ALA A 48 OXT 0.148
REMARK 500 8 GLU A 1 CD GLU A 1 OE2 0.117
REMARK 500 8 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 8 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 8 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 8 ALA A 48 C ALA A 48 OXT 0.147
REMARK 500 9 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 9 GLU A 7 CD GLU A 7 OE2 0.120
REMARK 500 9 GLU A 35 CD GLU A 35 OE2 0.119
REMARK 500 9 GLU A 43 CD GLU A 43 OE2 0.119
REMARK 500 9 ALA A 48 C ALA A 48 OXT 0.147
REMARK 500 10 GLU A 1 CD GLU A 1 OE2 0.119
REMARK 500 10 GLU A 7 CD GLU A 7 OE2 0.121
REMARK 500 10 GLU A 35 CD GLU A 35 OE2 0.120
REMARK 500 10 GLU A 43 CD GLU A 43 OE2 0.120
REMARK 500 10 ALA A 48 C ALA A 48 OXT 0.144
REMARK 500
REMARK 500 THIS ENTRY HAS 120 BOND DEVIATIONS.
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 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 ASP A 8 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 1 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.8 DEGREES
REMARK 500 1 ARG A 21 CD - NE - CZ ANGL. DEV. = 8.4 DEGREES
REMARK 500 1 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ASP A 8 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 2 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 ASP A 8 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES
REMARK 500 3 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 3 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 4 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 4 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 4 ARG A 23 CD - NE - CZ ANGL. DEV. = 9.1 DEGREES
REMARK 500 4 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 4 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 5 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 5 ASP A 8 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 5 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 5 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 6 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 6 CYS A 4 CA - CB - SG ANGL. DEV. = 8.5 DEGREES
REMARK 500 6 ASP A 8 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 6 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES
REMARK 500 6 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 6 ASN A 33 CA - CB - CG ANGL. DEV. = 13.7 DEGREES
REMARK 500 6 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 7 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 7 CYS A 4 CA - CB - SG ANGL. DEV. = 6.6 DEGREES
REMARK 500 7 ASP A 8 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 7 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 7 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 8 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 8 ASP A 8 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 8 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 8 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 9 ASP A 2 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES
REMARK 500 9 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES
REMARK 500 9 ASP A 8 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 9 ASP A 8 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 9 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 9 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 10 ASP A 2 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 10 ARG A 26 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 10 CYS A 36 CA - CB - SG ANGL. DEV. = -11.3 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 123 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 ASN A 3 87.94 -173.90
REMARK 500 1 TYR A 9 34.02 -149.67
REMARK 500 1 ARG A 21 39.68 -91.71
REMARK 500 1 SER A 28 179.47 -51.31
REMARK 500 1 ASN A 33 71.82 69.52
REMARK 500 1 MET A 42 96.70 65.13
REMARK 500 1 GLU A 43 129.53 69.23
REMARK 500 1 LEU A 45 151.61 67.31
REMARK 500 1 PHE A 47 91.73 59.96
REMARK 500 2 CYS A 20 -117.97 1.01
REMARK 500 2 ASN A 33 69.02 65.57
REMARK 500 2 LEU A 45 -73.25 -154.58
REMARK 500 3 ASP A 2 -73.25 -148.71
REMARK 500 3 ASN A 3 -73.74 -90.90
REMARK 500 3 ARG A 21 36.21 -91.64
REMARK 500 3 PRO A 24 177.96 -59.24
REMARK 500 3 ASN A 33 66.85 65.16
REMARK 500 3 LEU A 45 128.67 81.24
REMARK 500 3 PHE A 47 -65.71 -107.37
REMARK 500 4 ASP A 2 119.32 72.80
REMARK 500 4 ALA A 6 21.75 -79.30
REMARK 500 4 ARG A 21 31.95 -89.00
REMARK 500 4 SER A 28 -166.65 -70.95
REMARK 500 4 ASN A 33 72.11 65.13
REMARK 500 4 ARG A 39 -90.86 -120.20
REMARK 500 4 MET A 42 -68.53 -90.22
REMARK 500 4 GLU A 43 127.44 72.12
REMARK 500 4 SER A 46 -74.62 -143.94
REMARK 500 4 PHE A 47 92.78 63.64
REMARK 500 5 ARG A 21 36.39 -92.17
REMARK 500 5 SER A 28 -166.77 -70.85
REMARK 500 5 ASN A 33 74.58 66.64
REMARK 500 5 PRO A 38 -78.04 -72.73
REMARK 500 5 ARG A 39 -52.98 -139.15
REMARK 500 5 LEU A 40 -79.64 73.63
REMARK 500 5 ILE A 41 93.35 68.29
REMARK 500 5 GLU A 43 137.53 71.95
REMARK 500 5 PHE A 47 -67.11 -98.60
REMARK 500 6 CYS A 4 162.11 67.86
REMARK 500 6 ARG A 21 36.19 -91.00
REMARK 500 6 SER A 28 -163.76 -74.77
REMARK 500 6 ARG A 39 -78.05 -155.30
REMARK 500 6 LEU A 40 -86.68 68.39
REMARK 500 6 LEU A 45 85.69 57.75
REMARK 500 6 SER A 46 104.24 -160.82
REMARK 500 6 PHE A 47 97.42 62.59
REMARK 500 7 ASN A 3 91.15 177.94
REMARK 500 7 ARG A 21 37.09 -90.70
REMARK 500 7 SER A 28 -164.42 -59.38
REMARK 500 7 ASN A 33 74.74 68.92
REMARK 500
REMARK 500 THIS ENTRY HAS 184 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 2 TYR A 9 0.09 SIDE CHAIN
REMARK 500 4 TYR A 9 0.06 SIDE CHAIN
REMARK 500 5 TYR A 9 0.07 SIDE CHAIN
REMARK 500 7 TYR A 9 0.07 SIDE CHAIN
REMARK 500 12 TYR A 9 0.07 SIDE CHAIN
REMARK 500 13 TYR A 9 0.09 SIDE CHAIN
REMARK 500 17 TYR A 9 0.06 SIDE CHAIN
REMARK 500 19 TYR A 9 0.08 SIDE CHAIN
REMARK 500 20 TYR A 9 0.07 SIDE CHAIN
REMARK 500 22 TYR A 9 0.07 SIDE CHAIN
REMARK 500 23 TYR A 9 0.07 SIDE CHAIN
REMARK 500 24 TYR A 9 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1AGG A 1 48 UNP P37045 TOG4B_AGEAP 36 83
SEQRES 1 A 48 GLU ASP ASN CYS ILE ALA GLU ASP TYR GLY LYS CYS THR
SEQRES 2 A 48 TRP GLY GLY THR LYS CYS CYS ARG GLY ARG PRO CYS ARG
SEQRES 3 A 48 CYS SER MET ILE GLY THR ASN CYS GLU CYS THR PRO ARG
SEQRES 4 A 48 LEU ILE MET GLU GLY LEU SER PHE ALA
SHEET 1 A 2 CYS A 25 CYS A 27 0
SHEET 2 A 2 CYS A 34 CYS A 36 -1 N GLU A 35 O ARG A 26
SSBOND 1 CYS A 4 CYS A 20 1555 1555 2.02
SSBOND 2 CYS A 12 CYS A 25 1555 1555 1.98
SSBOND 3 CYS A 19 CYS A 36 1555 1555 1.97
SSBOND 4 CYS A 27 CYS A 34 1555 1555 1.97
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 12 2 Bytes