Header list of 1oqk.pdb file
Complete list - b 23 2 Bytes
HEADER HYDROLASE 10-MAR-03 1OQK
TITLE STRUCTURE OF MTH11: A HOMOLOGUE OF HUMAN RNASE P PROTEIN RPP29
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CONSERVED PROTEIN MTH11;
COMPND 3 CHAIN: A;
COMPND 4 EC: 3.1.26.5;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS;
SOURCE 3 ORGANISM_TAXID: 145262;
SOURCE 4 GENE: MTH11;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: MTH11-PET-15B
KEYWDS OB FOLD, ARCHAEAL RNASE P PROTEIN SUBUNIT, HYDROLASE
EXPDTA SOLUTION NMR
NUMMDL 22
AUTHOR W.P.BOOMERSHINE,C.A.MCELROY,H.TSAI,V.GOPALAN,M.P.FOSTER
REVDAT 3 23-FEB-22 1OQK 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1OQK 1 VERSN
REVDAT 1 13-JAN-04 1OQK 0
JRNL AUTH W.P.BOOMERSHINE,C.A.MCELROY,H.Y.TSAI,R.C.WILSON,V.GOPALAN,
JRNL AUTH 2 M.P.FOSTER
JRNL TITL STRUCTURE OF MTH11/MTH RPP29, AN ESSENTIAL PROTEIN SUBUNIT
JRNL TITL 2 OF ARCHAEAL AND EUKARYOTIC RNASE P.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 100 15398 2003
JRNL REFN ISSN 0027-8424
JRNL PMID 14673079
JRNL DOI 10.1073/PNAS.2535887100
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS_SOLVE 1.0
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1OQK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018568.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 299
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 100 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.5MM MTH11 U-15N, 13C, 50MM
REMARK 210 PHOSPHATE BUFFER K, 50MM KCL, 90%
REMARK 210 H2O, 10% D2O; 1.5MM MTH11 U-15N,
REMARK 210 13C, 50MM PHOSPHATE BUFFER K,
REMARK 210 50MM KCL, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCACB; 3D_13C-SEPARATED_NOESY;
REMARK 210 3D_15N-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CNS 1.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 35
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 22
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-22
REMARK 465 RES C SSSEQI
REMARK 465 GLY A -3
REMARK 465 SER A -2
REMARK 465 HIS A -1
REMARK 465 MET A 0
REMARK 465 LEU A 1
REMARK 465 ILE A 2
REMARK 465 THR A 3
REMARK 465 PRO A 4
REMARK 465 ARG A 5
REMARK 465 ASN A 6
REMARK 465 ILE A 7
REMARK 465 PHE A 8
REMARK 465 LYS A 87
REMARK 465 LYS A 88
REMARK 465 LYS A 89
REMARK 465 PHE A 90
REMARK 465 ARG A 91
REMARK 465 LYS A 92
REMARK 465 PRO A 93
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 HIS A 10 130.76 64.04
REMARK 500 1 GLU A 11 -175.91 -50.74
REMARK 500 1 VAL A 35 -47.60 -136.94
REMARK 500 1 ILE A 58 63.30 -156.11
REMARK 500 1 PRO A 82 -88.86 -68.69
REMARK 500 1 ARG A 85 152.09 63.53
REMARK 500 2 HIS A 10 110.71 -167.91
REMARK 500 2 GLU A 11 -69.23 -142.81
REMARK 500 2 ILE A 58 60.04 -150.12
REMARK 500 2 VAL A 79 100.48 -53.49
REMARK 500 3 GLU A 11 -46.33 -168.13
REMARK 500 3 VAL A 35 -48.79 -138.47
REMARK 500 3 ILE A 58 60.21 -150.01
REMARK 500 4 HIS A 10 -70.70 -127.96
REMARK 500 4 LEU A 12 -144.15 30.88
REMARK 500 4 ILE A 58 61.07 -150.11
REMARK 500 4 VAL A 79 100.88 -48.86
REMARK 500 4 ARG A 85 -78.94 -139.44
REMARK 500 5 VAL A 35 -50.19 -137.49
REMARK 500 5 ILE A 58 58.71 -148.33
REMARK 500 5 VAL A 79 100.57 -48.83
REMARK 500 5 PRO A 82 -163.02 -56.43
REMARK 500 5 ARG A 85 153.35 75.52
REMARK 500 6 GLU A 11 176.80 -50.88
REMARK 500 6 ILE A 13 97.55 -30.84
REMARK 500 6 ILE A 58 63.03 -155.56
REMARK 500 6 VAL A 79 100.57 -52.21
REMARK 500 6 ARG A 85 132.22 63.85
REMARK 500 7 GLU A 11 35.47 -178.78
REMARK 500 7 LEU A 12 27.74 -167.75
REMARK 500 7 ARG A 21 130.91 -171.11
REMARK 500 7 ILE A 58 62.66 -154.63
REMARK 500 7 VAL A 79 163.10 -48.69
REMARK 500 7 ALA A 80 163.53 -46.78
REMARK 500 7 ARG A 85 -28.70 -177.09
REMARK 500 8 GLU A 11 -173.91 46.69
REMARK 500 8 VAL A 35 -48.83 -138.45
REMARK 500 8 ILE A 58 61.06 -151.22
REMARK 500 8 ARG A 85 144.62 62.86
REMARK 500 9 HIS A 10 142.99 -178.48
REMARK 500 9 VAL A 35 -50.62 -135.95
REMARK 500 9 ILE A 58 59.31 -149.66
REMARK 500 9 ARG A 76 -66.93 -93.93
REMARK 500 10 HIS A 10 -59.72 -168.45
REMARK 500 10 LEU A 12 -39.39 -177.34
REMARK 500 10 VAL A 35 -48.71 -138.69
REMARK 500 10 ILE A 58 62.75 -155.07
REMARK 500 10 VAL A 79 163.26 -47.60
REMARK 500 10 ALA A 80 164.34 -46.18
REMARK 500 10 ARG A 85 -53.65 -170.41
REMARK 500
REMARK 500 THIS ENTRY HAS 115 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1OQK A 1 93 UNP O26119 RNP1_METTH 1 93
SEQADV 1OQK GLY A -3 UNP O26119 EXPRESSION TAG
SEQADV 1OQK SER A -2 UNP O26119 EXPRESSION TAG
SEQADV 1OQK HIS A -1 UNP O26119 EXPRESSION TAG
SEQADV 1OQK MET A 0 UNP O26119 EXPRESSION TAG
SEQADV 1OQK LEU A 1 UNP O26119 MET 1 EXPRESSION TAG
SEQRES 1 A 97 GLY SER HIS MET LEU ILE THR PRO ARG ASN ILE PHE ARG
SEQRES 2 A 97 HIS GLU LEU ILE GLY LEU SER VAL ARG ILE ALA ARG SER
SEQRES 3 A 97 VAL HIS ARG ASP ILE GLN GLY ILE SER GLY ARG VAL VAL
SEQRES 4 A 97 ASP GLU THR ARG ASN THR LEU ARG ILE GLU MET ASP ASP
SEQRES 5 A 97 GLY ARG GLU ILE THR VAL PRO LYS GLY ILE ALA VAL PHE
SEQRES 6 A 97 HIS PHE ARG THR PRO GLN GLY GLU LEU VAL GLU ILE ASP
SEQRES 7 A 97 GLY ARG ALA LEU VAL ALA ARG PRO GLU GLU ARG ILE LYS
SEQRES 8 A 97 LYS LYS PHE ARG LYS PRO
SHEET 1 A 4 SER A 31 ARG A 33 0
SHEET 2 A 4 SER A 16 ARG A 21 -1 N VAL A 17 O GLY A 32
SHEET 3 A 4 VAL A 60 THR A 65 -1 O HIS A 62 N ARG A 18
SHEET 4 A 4 GLU A 69 ILE A 73 -1 O ILE A 73 N PHE A 61
SHEET 1 B 3 ASP A 36 THR A 38 0
SHEET 2 B 3 THR A 41 MET A 46 -1 O THR A 41 N THR A 38
SHEET 3 B 3 ARG A 50 PRO A 55 -1 O ILE A 52 N ILE A 44
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 23 2 Bytes