HEADER HORMONE RECEPTOR 11-SEP-15 2N7I
TITLE NMR STRUCTURE OF THE PROLACTIN RECEPTOR TRANSMEMBRANE DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROLACTIN RECEPTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HELICAL TRANSMEMBRANE DOMAIN RESIDUES 230-264;
COMPND 5 SYNONYM: PRL-R;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: PRLR;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PGEX 4T-1
KEYWDS TRANSMEMBRANE DOMAIN, MEMBRANE PROTEIN, RECEPTOR, HORMONE RECEPTOR
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR K.BUGGE,B.B.KRAGELUND
REVDAT 3 14-JUN-23 2N7I 1 REMARK SEQADV
REVDAT 2 25-MAY-16 2N7I 1 JRNL
REVDAT 1 18-MAY-16 2N7I 0
JRNL AUTH K.BUGGE,E.PAPALEO,G.W.HAXHOLM,J.T.HOPPER,C.V.ROBINSON,
JRNL AUTH 2 J.G.OLSEN,K.LINDORFF-LARSEN,B.B.KRAGELUND
JRNL TITL A COMBINED COMPUTATIONAL AND STRUCTURAL MODEL OF THE
JRNL TITL 2 FULL-LENGTH HUMAN PROLACTIN RECEPTOR.
JRNL REF NAT COMMUN V. 7 11578 2016
JRNL REFN ESSN 2041-1723
JRNL PMID 27174498
JRNL DOI 10.1038/NCOMMS11578
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA 2.3.2, ARIA 2.3.2
REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES (ARIA), LINGE,
REMARK 3 O'DONOGHUE AND NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2N7I COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-SEP-15.
REMARK 100 THE DEPOSITION ID IS D_1000104519.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 7.2
REMARK 210 IONIC STRENGTH : 50
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8 MM [U-13C; U-15N] PRLRTMD, 2
REMARK 210 MM DSS, 0.05 % SODIUM AZIDE, 560
REMARK 210 MM DHPC, 20 MM SODIUM PHOSPHATE,
REMARK 210 4 MM TCEP, 50 MM SODIUM CHLORIDE,
REMARK 210 90% H2O/10% D2O; 1 MM [U-13C; U-
REMARK 210 15N] PRLRTMD, 2 MM DSS, 0.05 %
REMARK 210 SODIUM AZIDE, 700 MM [U-2H] DHPC,
REMARK 210 20 MM SODIUM PHOSPHATE, 4 MM
REMARK 210 TCEP, 50 MM SODIUM CHLORIDE, 90%
REMARK 210 H2O/10% D2O; 0.7 MM [U-15N]
REMARK 210 PRLRTMD, 2 MM DSS, 0.05 % SODIUM
REMARK 210 AZIDE, 490 MM DHPC, 20 MM SODIUM
REMARK 210 PHOSPHATE, 4 MM TCEP, 50 MM
REMARK 210 SODIUM CHLORIDE, 90% H2O/10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNHA; 3D
REMARK 210 HNCO; 3D HNCACB; 3D CBCA(CO)NH;
REMARK 210 3D 1H-15N NOESY; 2D 1H-13C HSQC
REMARK 210 ALIPHATIC; 2D 1H-13C HSQC
REMARK 210 AROMATIC
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 750 MHZ; 900 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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: 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 PHE A 206 101.08 60.87
REMARK 500 1 ASN A 209 -155.57 -79.84
REMARK 500 1 SER A 238 -65.84 -159.31
REMARK 500 2 THR A 207 95.60 58.56
REMARK 500 2 ASN A 209 -67.38 -165.35
REMARK 500 2 SER A 238 -73.23 -155.46
REMARK 500 3 THR A 207 -69.34 -123.07
REMARK 500 3 MET A 208 -71.86 -145.47
REMARK 500 3 ASN A 209 -82.87 -171.95
REMARK 500 4 ASP A 210 86.61 -67.90
REMARK 500 4 THR A 211 -64.11 -97.45
REMARK 500 4 MET A 239 40.46 -103.10
REMARK 500 5 THR A 207 -90.33 59.65
REMARK 500 5 MET A 239 35.65 -94.13
REMARK 500 7 PHE A 206 13.56 -151.53
REMARK 500 7 ASN A 209 -74.30 -55.19
REMARK 500 7 ASP A 210 6.71 -169.70
REMARK 500 8 SER A 205 -84.28 61.12
REMARK 500 8 THR A 207 -66.59 -154.67
REMARK 500 8 MET A 208 118.40 64.18
REMARK 500 8 ASP A 210 7.50 -176.21
REMARK 500 9 MET A 208 -82.21 63.07
REMARK 500 9 ASP A 210 12.46 -167.28
REMARK 500 9 TYR A 237 35.30 34.21
REMARK 500 10 SER A 205 -58.98 -132.19
REMARK 500 10 PHE A 206 81.37 55.02
REMARK 500 10 THR A 207 47.90 -108.63
REMARK 500 10 MET A 208 -51.11 -155.62
REMARK 500 10 LYS A 235 50.26 -114.06
REMARK 500 10 MET A 239 32.38 -86.66
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 25806 RELATED DB: BMRB
DBREF 2N7I A 206 240 UNP P16471 PRLR_HUMAN 230 264
SEQADV 2N7I GLY A 204 UNP P16471 EXPRESSION TAG
SEQADV 2N7I SER A 205 UNP P16471 EXPRESSION TAG
SEQRES 1 A 37 GLY SER PHE THR MET ASN ASP THR THR VAL TRP ILE SER
SEQRES 2 A 37 VAL ALA VAL LEU SER ALA VAL ILE CYS LEU ILE ILE VAL
SEQRES 3 A 37 TRP ALA VAL ALA LEU LYS GLY TYR SER MET VAL
HELIX 1 1 ASN A 209 ALA A 231 1 23
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
(ATOM LINES ARE NOT SHOWN.)
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