Header list of 1z5f.pdb file
Complete list - c 25 2 Bytes
HEADER HYDROLASE 18-MAR-05 1Z5F
TITLE SOLUTION STRUCTURE OF THE CYTOTOXIC RC-RNASE 3 WITH A PYROGLUTAMATE
TITLE 2 RESIDUE AT THE N-TERMINUS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RC-RNASE 3;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: RC-RNASE3 RIBONUCLEASE;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA;
SOURCE 3 ORGANISM_COMMON: BULLFROG;
SOURCE 4 ORGANISM_TAXID: 8400;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_TISSUE: OOCYTE;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11D
KEYWDS RIBONUCLEASE, PYROGLUTAMATE, CYTOTOXICITY, BULLFROG, HYDROLASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.C.LOU,Y.C.HUANG,Y.R.PAN,C.CHEN,Y.D.LIAO
REVDAT 3 25-DEC-19 1Z5F 1 JRNL REMARK SEQADV SEQRES
REVDAT 3 2 1 LINK
REVDAT 2 24-FEB-09 1Z5F 1 VERSN
REVDAT 1 28-FEB-06 1Z5F 0
JRNL AUTH Y.C.LOU,Y.C.HUANG,Y.R.PAN,C.CHEN,Y.D.LIAO
JRNL TITL ROLES OF N-TERMINAL PYROGLUTAMATE IN MAINTAINING STRUCTURAL
JRNL TITL 2 INTEGRITY AND PKA VALUES OF CATALYTIC HISTIDINE RESIDUES IN
JRNL TITL 3 BULLFROG RIBONUCLEASE 3
JRNL REF J.MOL.BIOL. V. 355 409 2006
JRNL REFN ISSN 0022-2836
JRNL PMID 16309702
JRNL DOI 10.1016/J.JMB.2005.10.069
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.H.HSU,Y.D.LIAO,L.W.CHEN,S.H.WU,Y.J.LEU,C.CHEN
REMARK 1 TITL SOLUTION STRUCTURE OF THE CYTOTOXIC RNASE 4 FROM OOCYTES OF
REMARK 1 TITL 2 BULLFROG RANA CATESBEIANA
REMARK 1 REF J.MOL.BIOL. V. 326 1189 2003
REMARK 1 REFN ISSN 0022-2836
REMARK 1 PMID 12589762
REMARK 1 DOI 10.1016/S0022-2836(02)01472-9
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1Z5F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032320.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : 20 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM RC-RNASE 3, U-15N,13C; 20MM
REMARK 210 PHOSPHATE BUFFER; 90% H2O, 10%
REMARK 210 D2O; 2MM RC-RNASE 3, U-15N,13C;
REMARK 210 20MM PHOSPHATE BUFFER; 90% H2O,
REMARK 210 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; IPAP_1H, 15N_
REMARK 210 HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW 5.0, X-PLOR
REMARK 210 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: CLOSE CONTACTS
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
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 GLU A 4 -79.17 -62.29
REMARK 500 1 LYS A 16 64.36 -116.17
REMARK 500 1 LYS A 25 -131.72 -60.68
REMARK 500 1 ASP A 29 37.89 86.11
REMARK 500 1 CYS A 30 70.53 54.40
REMARK 500 1 LYS A 31 -129.72 -77.55
REMARK 500 1 LYS A 32 -32.61 -142.51
REMARK 500 1 LEU A 47 0.01 -69.95
REMARK 500 1 ASN A 50 -10.91 75.21
REMARK 500 1 ASP A 53 -148.68 -60.51
REMARK 500 1 ASP A 61 -94.91 -160.48
REMARK 500 1 LEU A 73 174.95 52.90
REMARK 500 1 VAL A 91 -147.27 -91.40
REMARK 500 1 GLN A 93 42.58 179.79
REMARK 500 1 ILE A 96 -7.31 -142.62
REMARK 500 1 ALA A 99 -74.66 -57.96
REMARK 500 2 GLU A 4 -79.31 -62.54
REMARK 500 2 VAL A 17 173.98 -51.99
REMARK 500 2 CYS A 19 -43.42 -29.57
REMARK 500 2 GLU A 22 -6.46 -55.40
REMARK 500 2 LYS A 25 -171.01 -51.44
REMARK 500 2 ASP A 29 35.71 71.22
REMARK 500 2 LYS A 31 -139.45 -68.54
REMARK 500 2 LYS A 32 -33.62 -133.76
REMARK 500 2 ASN A 50 -1.73 59.80
REMARK 500 2 ASP A 53 -147.75 -59.81
REMARK 500 2 ASP A 61 -69.25 -151.92
REMARK 500 2 LEU A 73 174.69 61.00
REMARK 500 2 VAL A 91 -148.58 -84.14
REMARK 500 2 GLN A 93 48.21 -179.99
REMARK 500 2 ILE A 96 -7.16 -142.38
REMARK 500 2 ALA A 99 -72.86 -62.12
REMARK 500 2 SER A 103 144.61 -171.13
REMARK 500 3 GLU A 4 -76.27 -60.25
REMARK 500 3 VAL A 17 170.37 -51.93
REMARK 500 3 GLU A 22 -3.47 -55.19
REMARK 500 3 LYS A 25 -163.71 -55.46
REMARK 500 3 ASP A 29 36.12 84.67
REMARK 500 3 LYS A 31 -142.76 -70.06
REMARK 500 3 LYS A 32 -32.44 -137.67
REMARK 500 3 ASN A 50 -12.39 73.98
REMARK 500 3 ARG A 52 -162.65 -100.19
REMARK 500 3 ASP A 53 -151.68 -58.89
REMARK 500 3 ASP A 61 -74.71 -118.28
REMARK 500 3 ILE A 71 -35.90 -138.60
REMARK 500 3 LEU A 73 174.27 53.17
REMARK 500 3 VAL A 91 -152.32 -83.03
REMARK 500 3 GLN A 93 47.36 -177.50
REMARK 500 3 ILE A 96 -25.32 -143.66
REMARK 500 3 ALA A 99 -72.25 -63.51
REMARK 500
REMARK 500 THIS ENTRY HAS 383 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1KVZ RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF CYTOTOXIC RC-RNASE4
DBREF 1Z5F A 1 105 GB 15111749 AAG31440 24 128
SEQRES 1 A 105 PCA ASP TRP GLU THR PHE GLN LYS LYS HIS LEU THR ASP
SEQRES 2 A 105 THR LYS LYS VAL LYS CYS ASP VAL GLU MET ALA LYS ALA
SEQRES 3 A 105 LEU PHE ASP CYS LYS LYS THR ASN THR PHE ILE TYR ALA
SEQRES 4 A 105 LEU PRO GLY ARG VAL LYS ALA LEU CYS LYS ASN ILE ARG
SEQRES 5 A 105 ASP ASN THR ASP VAL LEU SER ARG ASP ALA PHE LEU LEU
SEQRES 6 A 105 PRO GLN CYS ASP ARG ILE LYS LEU PRO CYS HIS TYR LYS
SEQRES 7 A 105 LEU SER SER SER THR ASN THR ILE CYS ILE THR CYS VAL
SEQRES 8 A 105 ASN GLN LEU PRO ILE HIS PHE ALA GLY VAL GLY SER CYS
SEQRES 9 A 105 PRO
MODRES 1Z5F PCA A 1 GLN PYROGLUTAMIC ACID
HET PCA A 1 14
HETNAM PCA PYROGLUTAMIC ACID
FORMUL 1 PCA C5 H7 N O3
HELIX 1 1 ASP A 2 LYS A 9 1 8
HELIX 2 2 LYS A 18 LYS A 25 1 8
HELIX 3 3 LEU A 40 LEU A 47 1 8
SHEET 1 A 3 THR A 33 THR A 35 0
SHEET 2 A 3 PHE A 63 ASP A 69 -1 O CYS A 68 N ASN A 34
SHEET 3 A 3 LYS A 78 ASN A 84 -1 O SER A 80 N GLN A 67
SHEET 1 B 3 THR A 55 LEU A 58 0
SHEET 2 B 3 CYS A 87 CYS A 90 -1 O ILE A 88 N VAL A 57
SHEET 3 B 3 PRO A 95 GLY A 100 -1 O HIS A 97 N THR A 89
SSBOND 1 CYS A 19 CYS A 68 1555 1555 2.01
SSBOND 2 CYS A 30 CYS A 75 1555 1555 2.03
SSBOND 3 CYS A 48 CYS A 90 1555 1555 2.02
SSBOND 4 CYS A 87 CYS A 104 1555 1555 2.02
LINK C PCA A 1 N ASP A 2 1555 1555 1.30
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 - c 25 2 Bytes