Header list of 1yhd.pdb file
Complete list - r 2 2 Bytes
HEADER UNKNOWN FUNCTION 07-JAN-05 1YHD
TITLE THE SOLUTION STRUCTURE OF YGGX FROM ESCHERICHIA COLI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UPF0269 PROTEIN YGGX;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 GENE: YGGX;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B
KEYWDS HELIX BUNDLE, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR M.J.OSBORNE,N.SIDDIQUI,D.LANDGRAF,P.J.POMPOSIELLO,K.GEHRING
REVDAT 4 02-MAR-22 1YHD 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1YHD 1 VERSN
REVDAT 2 26-JUL-05 1YHD 1 JRNL
REVDAT 1 18-JAN-05 1YHD 0
JRNL AUTH M.J.OSBORNE,N.SIDDIQUI,D.LANDGRAF,P.J.POMPOSIELLO,K.GEHRING
JRNL TITL THE SOLUTION STRUCTURE OF THE OXIDATIVE STRESS-RELATED
JRNL TITL 2 PROTEIN YGGX FROM ESCHERICHIA COLI.
JRNL REF PROTEIN SCI. V. 14 1673 2005
JRNL REFN ISSN 0961-8368
JRNL PMID 15883188
JRNL DOI 10.1110/PS.051358105
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.2, CYANA 2, CNS 1.1
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), GUNTERT (CYANA), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 2059
REMARK 3 DISTANCE CONSTRAINTS, 72 DIHEDRAL ANGLE CONSTRAINTS AND 42
REMARK 3 RESIDUAL DIPOLAR COUPLING RESTRAINTS. THE C-TERMINAL HIS TAG
REMARK 3 (RESIDUES 93-100) HAS BEEN REMOVED FORM THE COORDINATES.
REMARK 4
REMARK 4 1YHD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-05.
REMARK 100 THE DEPOSITION ID IS D_1000031511.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 303
REMARK 210 PH : 6.3; 6.3
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8MM YGGX U-15N,13C, 50MM
REMARK 210 PHOSPHATE, 150MM NACL, 90% H2O,
REMARK 210 10% D2O; 0.8MM YGGX U-15N,13C,
REMARK 210 50MM PHOSPHATE, 150MM NACL, 100%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_ROESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 4D_13C-
REMARK 210 SEPARATED_NOESY
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 : NMRVIEW 5.1.4
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 60
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED, BACK CALCULATED DATA
REMARK 210 AGREE WITH EXPERIMENTAL NOESY
REMARK 210 SPECTRUM, STRUCTURES WITH
REMARK 210 ACCEPTABLE COVALENT GEOMETRY,
REMARK 210 STRUCTURES WITH FAVORABLE NON-
REMARK 210 BOND ENERGY, STRUCTURES WITH THE
REMARK 210 LEAST RESTRAINT VIOLATIONS,
REMARK 210 STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY, TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 2
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 1-20
REMARK 465 RES C SSSEQI
REMARK 465 LEU A 93
REMARK 465 GLU A 94
REMARK 465 HIS A 95
REMARK 465 HIS A 96
REMARK 465 HIS A 97
REMARK 465 HIS A 98
REMARK 465 HIS A 99
REMARK 465 HIS A 100
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 O ARG A 30 H GLU A 34 1.50
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 57 103.14 -160.17
REMARK 500 1 GLU A 77 59.28 -68.02
REMARK 500 1 ASP A 90 -40.61 -170.70
REMARK 500 2 SER A 36 170.07 -57.50
REMARK 500 2 ASN A 57 96.12 -160.12
REMARK 500 2 GLU A 77 59.29 -67.31
REMARK 500 2 VAL A 81 73.12 -67.51
REMARK 500 3 GLN A 18 179.10 -57.90
REMARK 500 3 LYS A 55 62.58 62.09
REMARK 500 3 GLU A 77 57.56 -65.53
REMARK 500 3 GLU A 80 -30.78 -178.93
REMARK 500 3 PRO A 88 172.30 -55.46
REMARK 500 4 GLU A 77 58.35 -65.84
REMARK 500 4 VAL A 81 30.57 -91.27
REMARK 500 5 GLU A 16 -177.48 -62.63
REMARK 500 5 SER A 36 174.11 -57.93
REMARK 500 5 LYS A 55 64.46 63.18
REMARK 500 5 GLU A 77 58.59 -68.18
REMARK 500 5 GLU A 80 -35.41 -178.81
REMARK 500 5 VAL A 81 68.70 -69.67
REMARK 500 5 ASP A 90 83.17 60.66
REMARK 500 5 LYS A 91 166.57 62.47
REMARK 500 6 LYS A 55 62.13 63.98
REMARK 500 6 ASN A 57 101.28 -160.34
REMARK 500 6 GLU A 77 60.76 -68.10
REMARK 500 6 GLU A 80 71.67 54.45
REMARK 500 7 GLU A 77 57.92 -68.78
REMARK 500 7 GLU A 80 61.65 -174.53
REMARK 500 7 PRO A 88 74.21 -69.94
REMARK 500 7 ASP A 90 -73.10 69.69
REMARK 500 7 LYS A 91 -33.94 71.71
REMARK 500 8 PRO A 24 -173.58 -44.61
REMARK 500 8 LYS A 55 63.07 62.94
REMARK 500 8 GLU A 77 55.45 -66.17
REMARK 500 8 LYS A 79 20.97 -79.06
REMARK 500 8 GLU A 80 -42.31 -140.10
REMARK 500 9 LYS A 55 63.55 62.77
REMARK 500 9 GLU A 77 60.25 -66.94
REMARK 500 9 GLU A 80 85.58 64.36
REMARK 500 9 ASP A 90 175.21 59.09
REMARK 500 10 GLN A 18 -179.66 -64.54
REMARK 500 10 GLU A 77 58.41 -68.25
REMARK 500 10 GLU A 80 79.02 59.44
REMARK 500 11 LYS A 55 60.42 68.07
REMARK 500 11 GLU A 77 58.54 -68.97
REMARK 500 11 GLU A 80 38.96 -178.86
REMARK 500 11 VAL A 81 64.57 -68.73
REMARK 500 11 ASP A 90 82.43 -166.09
REMARK 500 11 LYS A 91 -176.70 -58.78
REMARK 500 12 SER A 36 173.67 -58.81
REMARK 500
REMARK 500 THIS ENTRY HAS 92 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: AUTHOR
DBREF 1YHD A 3 92 UNP P0A8P3 YGGX_ECOLI 1 90
SEQADV 1YHD MET A 1 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD GLY A 2 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD LEU A 93 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD GLU A 94 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 95 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 96 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 97 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 98 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 99 UNP P0A8P3 CLONING ARTIFACT
SEQADV 1YHD HIS A 100 UNP P0A8P3 CLONING ARTIFACT
SEQRES 1 A 100 MET GLY SER ARG THR ILE PHE CYS THR PHE LEU GLN ARG
SEQRES 2 A 100 GLU ALA GLU GLY GLN ASP PHE GLN LEU TYR PRO GLY GLU
SEQRES 3 A 100 LEU GLY LYS ARG ILE TYR ASN GLU ILE SER LYS GLU ALA
SEQRES 4 A 100 TRP ALA GLN TRP GLN HIS LYS GLN THR MET LEU ILE ASN
SEQRES 5 A 100 GLU LYS LYS LEU ASN MET MET ASN ALA GLU HIS ARG LYS
SEQRES 6 A 100 LEU LEU GLU GLN GLU MET VAL ASN PHE LEU PHE GLU GLY
SEQRES 7 A 100 LYS GLU VAL HIS ILE GLU GLY TYR THR PRO GLU ASP LYS
SEQRES 8 A 100 LYS LEU GLU HIS HIS HIS HIS HIS HIS
HELIX 1 1 GLY A 25 GLU A 34 1 10
HELIX 2 2 LYS A 37 LYS A 54 1 18
HELIX 3 3 ALA A 61 PHE A 74 1 14
SHEET 1 A 2 THR A 5 PHE A 7 0
SHEET 2 A 2 GLU A 14 GLU A 16 -1 O ALA A 15 N ILE A 6
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 - r 2 2 Bytes