Header list of 1u34.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 20-JUL-04 1U34
TITLE 3D NMR STRUCTURE OF THE FIRST EXTRACELLULAR DOMAIN OF CRFR-2BETA, A
TITLE 2 TYPE B1 G-PROTEIN COUPLED RECEPTOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CORTICOTROPIN RELEASING FACTOR RECEPTOR 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ECD1 OF CRFR2B;
COMPND 5 SYNONYM: CRFR2B;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS BETA SHEETS AND LOOPS, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.R.GRACE,M.H.PERRIN,M.R.DIGRUCCIO,C.L.MILLER,J.E.RIVIER,W.W.VALE,
AUTHOR 2 R.RIEK
REVDAT 4 02-MAR-22 1U34 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1U34 1 VERSN
REVDAT 2 14-SEP-04 1U34 1 JRNL
REVDAT 1 07-SEP-04 1U34 0
JRNL AUTH C.R.GRACE,M.H.PERRIN,M.R.DIGRUCCIO,C.L.MILLER,J.E.RIVIER,
JRNL AUTH 2 W.W.VALE,R.RIEK
JRNL TITL NMR STRUCTURE AND PEPTIDE HORMONE BINDING SITE OF THE FIRST
JRNL TITL 2 EXTRACELLULAR DOMAIN OF A TYPE B1 G PROTEIN-COUPLED RECEPTOR
JRNL REF PROC.NATL.ACAD.SCI.USA V. 101 12836 2004
JRNL REFN ISSN 0027-8424
JRNL PMID 15326300
JRNL DOI 10.1073/PNAS.0404702101
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.0.6, CYANA 1.0.6
REMARK 3 AUTHORS : PETER GUNTERT, TORSTEN HERRMANN (CYANA), PETER
REMARK 3 GUNTERT, TORSTEN HERRMANN (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: A TOTAL OF 1089 MEANINGFUL DISTANCE
REMARK 3 RESTRAINTS AND 362 ANGLE RESTRAINTS WERE USED AS AN INPUT IN THE
REMARK 3 PROGRAM CYANA FOLLOWED BY RESTRAINED ENERGY MINIMISATION USING
REMARK 3 INSIGHT.
REMARK 4
REMARK 4 1U34 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1000023184.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.4
REMARK 210 IONIC STRENGTH : 0.2MM IN 10MM BISTRIS(HCL)
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.2MM 13C, 15N LABELLED ECD1
REMARK 210 -CRFR2B IN 10MM BISTRIS(HCL); PH
REMARK 210 7.4; 0.2MM 13C, 15N LABELLED
REMARK 210 ECD1-CRFR2B IN 10MM BISTRIS(HCL);
REMARK 210 PH 7.4
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; HNCA-J; 3D
REMARK 210 CBCA(CO)NH; 2D TOCSY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR DYNAMICS,
REMARK 210 TORSION ANGLE DYNAMICS
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 : 6
REMARK 210
REMARK 210 REMARK: THE NOES FOR STRUCTURE CALCULATION WERE TAKEN FROM 3D AND
REMARK 210 2D NOESY EXPERIMENTS
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 MET A 18 115.37 -169.08
REMARK 500 1 LYS A 19 -179.12 -179.92
REMARK 500 1 GLU A 20 112.93 65.21
REMARK 500 1 THR A 21 145.50 -176.48
REMARK 500 1 ALA A 23 142.09 -177.40
REMARK 500 1 ALA A 24 117.71 -171.34
REMARK 500 1 ARG A 28 111.77 -170.52
REMARK 500 1 MET A 31 35.45 -92.69
REMARK 500 1 ASP A 32 146.73 61.43
REMARK 500 1 SER A 33 152.78 167.56
REMARK 500 1 PRO A 34 -162.19 -74.94
REMARK 500 1 LEU A 36 -51.96 83.39
REMARK 500 1 THR A 39 124.42 -174.28
REMARK 500 1 TYR A 44 -37.54 -176.48
REMARK 500 1 CYS A 45 -145.88 61.60
REMARK 500 1 HIS A 46 -166.10 -74.45
REMARK 500 1 THR A 48 89.62 32.53
REMARK 500 1 PHE A 53 -40.62 -168.26
REMARK 500 1 SER A 54 76.39 -155.93
REMARK 500 1 TYR A 57 -169.69 -121.75
REMARK 500 1 GLN A 66 -29.97 -38.83
REMARK 500 1 THR A 69 109.79 -46.29
REMARK 500 1 GLN A 73 150.99 -36.17
REMARK 500 1 ALA A 78 -157.67 -94.79
REMARK 500 1 LEU A 79 132.90 -174.90
REMARK 500 1 VAL A 80 59.93 -103.52
REMARK 500 1 ARG A 82 63.75 -151.86
REMARK 500 1 CYS A 84 158.33 65.36
REMARK 500 1 ASN A 89 80.90 66.12
REMARK 500 1 THR A 95 109.01 63.27
REMARK 500 1 ALA A 99 171.82 172.97
REMARK 500 1 ARG A 112 137.10 -174.01
REMARK 500 1 VAL A 113 154.18 -48.13
REMARK 500 1 TYR A 115 98.38 -177.00
REMARK 500 1 ASP A 123 81.45 -179.93
REMARK 500 1 ASP A 124 133.50 177.33
REMARK 500 1 LYS A 125 87.52 173.69
REMARK 500 1 ARG A 127 136.07 65.55
REMARK 500 1 LYS A 128 -63.27 -173.76
REMARK 500 1 TYR A 129 171.96 53.39
REMARK 500 1 ASP A 130 166.53 173.72
REMARK 500 2 MET A 18 -172.51 -179.38
REMARK 500 2 LYS A 19 -176.55 61.79
REMARK 500 2 GLU A 20 115.81 59.43
REMARK 500 2 HIS A 30 175.10 56.78
REMARK 500 2 MET A 31 121.51 60.45
REMARK 500 2 ASP A 32 159.30 178.31
REMARK 500 2 PRO A 34 -162.19 -75.05
REMARK 500 2 LEU A 36 85.38 -150.74
REMARK 500 2 THR A 39 -137.97 -154.13
REMARK 500
REMARK 500 THIS ENTRY HAS 853 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1U34 A 39 133 UNP Q60748 CRFR2_MOUSE 39 133
SEQADV 1U34 GLY A 15 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 SER A 16 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 GLY A 17 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 MET A 18 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 LYS A 19 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 GLU A 20 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 THR A 21 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ALA A 22 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ALA A 23 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ALA A 24 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 LYS A 25 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 PHE A 26 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 GLU A 27 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ARG A 28 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 GLN A 29 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 HIS A 30 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 MET A 31 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ASP A 32 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 SER A 33 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 PRO A 34 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 ASP A 35 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 LEU A 36 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 GLY A 37 UNP Q60748 CLONING ARTIFACT
SEQADV 1U34 THR A 38 UNP Q60748 CLONING ARTIFACT
SEQRES 1 A 119 GLY SER GLY MET LYS GLU THR ALA ALA ALA LYS PHE GLU
SEQRES 2 A 119 ARG GLN HIS MET ASP SER PRO ASP LEU GLY THR THR LEU
SEQRES 3 A 119 LEU GLU GLN TYR CYS HIS ARG THR THR ILE GLY ASN PHE
SEQRES 4 A 119 SER GLY PRO TYR THR TYR CYS ASN THR THR LEU ASP GLN
SEQRES 5 A 119 ILE GLY THR CYS TRP PRO GLN SER ALA PRO GLY ALA LEU
SEQRES 6 A 119 VAL GLU ARG PRO CYS PRO GLU TYR PHE ASN GLY ILE LYS
SEQRES 7 A 119 TYR ASN THR THR ARG ASN ALA TYR ARG GLU CYS LEU GLU
SEQRES 8 A 119 ASN GLY THR TRP ALA SER ARG VAL ASN TYR SER HIS CYS
SEQRES 9 A 119 GLU PRO ILE LEU ASP ASP LYS GLN ARG LYS TYR ASP LEU
SEQRES 10 A 119 HIS TYR
SSBOND 1 CYS A 45 CYS A 70 1555 1555 1.99
SSBOND 2 CYS A 60 CYS A 103 1555 1555 1.99
SSBOND 3 CYS A 84 CYS A 118 1555 1555 2.00
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