Header list of 1eit.pdb file
Complete list - 16 20 Bytes
HEADER NEUROTOXIN 14-DEC-95 1EIT
TITLE NMR STUDY OF MU-AGATOXIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MU-AGATOXIN-I;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: MU-AGA-I
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA;
SOURCE 3 ORGANISM_TAXID: 6908;
SOURCE 4 TISSUE: VENOM
KEYWDS NEUROTOXIN, EXCITATORY INSECT TOXIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR D.O.OMECINSKY,M.D.REILY
REVDAT 3 16-FEB-22 1EIT 1 REMARK LINK
REVDAT 2 24-FEB-09 1EIT 1 VERSN
REVDAT 1 03-APR-96 1EIT 0
JRNL AUTH D.O.OMECINSKY,K.E.HOLUB,M.E.ADAMS,M.D.REILY
JRNL TITL THREE-DIMENSIONAL STRUCTURE ANALYSIS OF MU-AGATOXINS:
JRNL TITL 2 FURTHER EVIDENCE FOR COMMON MOTIFS AMONG NEUROTOXINS WITH
JRNL TITL 3 DIVERSE ION CHANNEL SPECIFICITIES.
JRNL REF BIOCHEMISTRY V. 35 2836 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8608119
JRNL DOI 10.1021/BI952605R
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.D.REILY,V.THANABAL,M.E.ADAMS
REMARK 1 TITL THE SOLUTION STRUCTURE OF OMEGA-AGA-IVB, A P-TYPE CALCIUM
REMARK 1 TITL 2 CHANNEL ANTAGONIST FROM THE VENOM OF AGELENOPSIS APERTA
REMARK 1 REF J.BIOMOL.NMR V. 5 122 1995
REMARK 1 REFN ISSN 0925-2738
REMARK 1 REFERENCE 2
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
REMARK 1 TITL 2 CHANNEL-SELECTIVE OMEGA-AGATOXINS
REMARK 1 REF NAT.STRUCT.BIOL. V. 1 853 1994
REMARK 1 REFN ISSN 1072-8368
REMARK 1 REFERENCE 3
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 1 REFERENCE 4
REMARK 1 AUTH W.S.SKINNER,M.E.ADAMS,G.B.QUISTAD,H.KATAOKA,B.J.CESARIN,
REMARK 1 AUTH 2 F.E.ENDERLIN,D.A.SCHOOLEY,B.P.BEAN
REMARK 1 TITL PURIFICATION AND CHARACTERIZATION OF TWO CLASSES OF
REMARK 1 TITL 2 NEUROTOXINS FROM THE FUNNEL WEB SPIDER, AGELENOPSIS APERTA
REMARK 1 REF J.BIOL.CHEM. V. 264 2150 1989
REMARK 1 REFN ISSN 0021-9258
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII, DISCOVER
REMARK 3 AUTHORS : HAVEL (DGII), BIOSYM (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EIT 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_1000173058.
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 : 10
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 5 CD GLU A 5 OE2 0.120
REMARK 500 1 HIS A 8 CG HIS A 8 CD2 0.056
REMARK 500 1 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 1 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 1 ASN A 36 C NH2 A 37 N 0.143
REMARK 500 2 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 2 GLU A 5 CD GLU A 5 OE2 0.118
REMARK 500 2 HIS A 8 CG HIS A 8 CD2 0.058
REMARK 500 2 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 2 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 2 ASN A 36 C NH2 A 37 N 0.143
REMARK 500 3 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 3 GLU A 5 CD GLU A 5 OE2 0.119
REMARK 500 3 HIS A 8 CG HIS A 8 CD2 0.055
REMARK 500 3 GLU A 15 CD GLU A 15 OE2 0.119
REMARK 500 3 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 3 ASN A 36 C NH2 A 37 N 0.143
REMARK 500 4 GLU A 1 CD GLU A 1 OE2 0.121
REMARK 500 4 GLU A 5 CD GLU A 5 OE2 0.120
REMARK 500 4 HIS A 8 CG HIS A 8 CD2 0.056
REMARK 500 4 GLU A 15 CD GLU A 15 OE2 0.119
REMARK 500 4 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 4 ASN A 36 C NH2 A 37 N 0.143
REMARK 500 5 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 5 GLU A 5 CD GLU A 5 OE2 0.119
REMARK 500 5 HIS A 8 CG HIS A 8 CD2 0.055
REMARK 500 5 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 5 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 5 ASN A 36 C NH2 A 37 N 0.142
REMARK 500 6 GLU A 1 CD GLU A 1 OE2 0.118
REMARK 500 6 GLU A 5 CD GLU A 5 OE2 0.118
REMARK 500 6 HIS A 8 CG HIS A 8 CD2 0.057
REMARK 500 6 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 6 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 6 ASN A 36 C NH2 A 37 N 0.142
REMARK 500 7 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 7 GLU A 5 CD GLU A 5 OE2 0.119
REMARK 500 7 HIS A 8 CG HIS A 8 CD2 0.056
REMARK 500 7 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 7 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 7 ASN A 36 C NH2 A 37 N 0.142
REMARK 500 8 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 8 GLU A 5 CD GLU A 5 OE2 0.120
REMARK 500 8 HIS A 8 CG HIS A 8 CD2 0.056
REMARK 500 8 GLU A 15 CD GLU A 15 OE2 0.120
REMARK 500 8 GLU A 18 CD GLU A 18 OE2 0.120
REMARK 500 8 ASN A 36 C NH2 A 37 N 0.143
REMARK 500 9 GLU A 1 CD GLU A 1 OE2 0.120
REMARK 500 9 GLU A 5 CD GLU A 5 OE2 0.119
REMARK 500
REMARK 500 THIS ENTRY HAS 60 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 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 1 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 1 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 CYS A 2 CA - CB - SG ANGL. DEV. = 10.6 DEGREES
REMARK 500 2 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 2 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 3 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 ASP A 14 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 3 CYS A 22 CA - CB - SG ANGL. DEV. = -12.4 DEGREES
REMARK 500 3 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 4 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 4 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 4 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 4 TRP A 12 CA - CB - CG ANGL. DEV. = 11.5 DEGREES
REMARK 500 4 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 4 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 5 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 5 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 5 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 5 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 5 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 5 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 6 CYS A 2 CA - CB - SG ANGL. DEV. = 11.5 DEGREES
REMARK 500 6 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 6 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 6 ASP A 11 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 6 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 6 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 6 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 7 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 7 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 7 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 7 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 7 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 7 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES
REMARK 500 8 HIS A 8 ND1 - CE1 - NE2 ANGL. DEV. = 8.9 DEGREES
REMARK 500 8 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 8 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 8 ASP A 14 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 64 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 CYS A 2 -132.96 -94.83
REMARK 500 1 PRO A 4 -178.78 -57.96
REMARK 500 1 ASN A 6 2.63 57.86
REMARK 500 1 CYS A 9 -153.74 -123.48
REMARK 500 1 ARG A 10 116.04 -173.71
REMARK 500 1 TRP A 12 -50.32 -167.17
REMARK 500 1 TYR A 13 -61.48 -124.25
REMARK 500 2 PRO A 4 -162.08 -78.29
REMARK 500 2 ASN A 6 18.42 46.11
REMARK 500 2 ARG A 10 -153.52 -108.44
REMARK 500 2 ASP A 11 41.34 -89.72
REMARK 500 2 TRP A 12 -48.79 -160.57
REMARK 500 2 TYR A 13 -111.40 -91.11
REMARK 500 2 CYS A 17 172.92 -59.84
REMARK 500 3 CYS A 2 -145.60 42.75
REMARK 500 3 PRO A 4 -159.36 -84.99
REMARK 500 3 ASN A 6 0.91 54.59
REMARK 500 3 TRP A 12 -54.46 -162.05
REMARK 500 3 ASP A 14 79.51 -106.45
REMARK 500 4 CYS A 2 161.78 61.79
REMARK 500 4 PRO A 4 -179.00 -55.34
REMARK 500 4 ASN A 6 9.42 57.05
REMARK 500 4 ARG A 10 -139.56 -113.14
REMARK 500 4 TRP A 12 114.51 63.74
REMARK 500 4 CYS A 17 158.11 -48.41
REMARK 500 5 PRO A 4 -163.06 -72.31
REMARK 500 5 ARG A 10 -154.26 -117.46
REMARK 500 5 TRP A 12 102.01 49.92
REMARK 500 5 TYR A 13 -78.94 -154.60
REMARK 500 6 ASN A 6 17.74 46.35
REMARK 500 6 ARG A 10 115.97 -173.91
REMARK 500 6 TRP A 12 -53.76 -162.35
REMARK 500 6 TYR A 13 -71.11 -116.38
REMARK 500 6 CYS A 24 79.00 -109.03
REMARK 500 7 ASN A 6 2.08 59.17
REMARK 500 7 TRP A 12 -60.19 86.28
REMARK 500 7 TYR A 13 -49.19 -149.94
REMARK 500 7 ASP A 14 87.57 3.82
REMARK 500 8 CYS A 2 -150.68 -84.21
REMARK 500 8 CYS A 9 -167.94 -117.25
REMARK 500 8 ARG A 10 110.74 -173.75
REMARK 500 8 TRP A 12 -60.82 152.39
REMARK 500 8 TYR A 13 -79.99 -98.54
REMARK 500 8 CYS A 24 -63.95 -100.09
REMARK 500 8 ARG A 25 -55.83 78.52
REMARK 500 9 PRO A 4 -159.98 -77.47
REMARK 500 9 ASN A 6 14.40 58.50
REMARK 500 9 ARG A 10 -145.27 -80.61
REMARK 500 9 ASP A 11 46.86 -89.76
REMARK 500 9 TRP A 12 105.44 161.42
REMARK 500
REMARK 500 THIS ENTRY HAS 56 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 37
DBREF 1EIT A 1 36 UNP P11057 TXMG1_AGEAP 1 36
SEQRES 1 A 37 GLU CYS VAL PRO GLU ASN GLY HIS CYS ARG ASP TRP TYR
SEQRES 2 A 37 ASP GLU CYS CYS GLU GLY PHE TYR CYS SER CYS ARG GLN
SEQRES 3 A 37 PRO PRO LYS CYS ILE CYS ARG ASN ASN ASN NH2
HET NH2 A 37 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
SHEET 1 A 2 PHE A 20 SER A 23 0
SHEET 2 A 2 ILE A 31 ASN A 34 -1 N ARG A 33 O TYR A 21
SSBOND 1 CYS A 2 CYS A 17 1555 1555 2.02
SSBOND 2 CYS A 9 CYS A 22 1555 1555 2.01
SSBOND 3 CYS A 16 CYS A 32 1555 1555 1.97
SSBOND 4 CYS A 24 CYS A 30 1555 1555 2.00
LINK C ASN A 36 N NH2 A 37 1555 1555 1.48
CISPEP 1 PRO A 27 PRO A 28 1 10.62
CISPEP 2 PRO A 27 PRO A 28 2 7.11
CISPEP 3 PRO A 27 PRO A 28 3 7.40
CISPEP 4 PRO A 27 PRO A 28 4 10.36
CISPEP 5 PRO A 27 PRO A 28 5 10.25
CISPEP 6 PRO A 27 PRO A 28 6 10.08
CISPEP 7 PRO A 27 PRO A 28 7 10.10
CISPEP 8 PRO A 27 PRO A 28 8 8.98
CISPEP 9 PRO A 27 PRO A 28 9 10.36
CISPEP 10 PRO A 27 PRO A 28 10 10.08
SITE 1 AC1 1 ASN A 36
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 - 16 20 Bytes