HEADER METAL TRANSPORT 20-APR-12 2LS3
TITLE 1H CHEMICAL SHIFT ASSIGNMENTS FOR THE SECONDARY TRANSMEMBRANE DOMAIN
TITLE 2 FROM HUMAN COPPER TRANSPORT 1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIGH AFFINITY COPPER UPTAKE PROTEIN 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UNP RESIDUES 132-157;
COMPND 5 SYNONYM: COPPER TRANSPORTER 1, HCTR1, SOLUTE CARRIER FAMILY 31 MEMBER
COMPND 6 1;
COMPND 7 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: SLC31A1, COPT1, CTR1;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS HCTR1 TMDS, OLIGOMERIZATION, METAL TRANSPORT
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR L.YANG,Z.HUANG,F.LI
REVDAT 1 06-JUN-12 2LS3 0
JRNL AUTH L.YANG,Z.HUANG,F.LI
JRNL TITL STRUCTURAL INSIGHTS INTO THE TRANSMEMBRANE DOMAINS OF HUMAN
JRNL TITL 2 COPPER TRANSPORTER 1
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA
REMARK 3 AUTHORS : GNTERT, P.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2LS3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-MAY-12.
REMARK 100 THE RCSB ID CODE IS RCSB102763.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2 MM HCTR1-TMD2-1, 40%
REMARK 210 HEXAFLUOROISOPROPANOL (HFIP)
REMARK 210 AQUEOUS SOLUTION
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
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 O PHE A 18 H LEU A 21 1.56
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 2 93.61 45.47
REMARK 500 1 GLN A 5 -30.98 -36.89
REMARK 500 1 LYS A 28 78.66 39.76
REMARK 500 2 LEU A 4 -50.23 -121.17
REMARK 500 2 GLN A 5 -31.83 -37.38
REMARK 500 2 MET A 24 -68.22 -124.50
REMARK 500 3 MET A 24 -76.78 -132.83
REMARK 500 4 GLN A 5 -31.11 -36.83
REMARK 500 5 GLN A 5 -30.43 -37.87
REMARK 500 5 LYS A 28 81.87 43.47
REMARK 500 6 LEU A 3 -75.23 -39.49
REMARK 500 6 MET A 24 -61.56 -128.87
REMARK 500 6 LYS A 28 80.56 43.99
REMARK 500 7 GLN A 5 -30.30 -38.00
REMARK 500 7 ILE A 22 -79.74 -63.64
REMARK 500 7 MET A 24 -76.34 -41.37
REMARK 500 7 LYS A 28 78.38 40.23
REMARK 500 8 GLN A 5 -31.21 -36.64
REMARK 500 9 GLN A 5 -30.63 -37.80
REMARK 500 9 LYS A 28 76.34 39.70
REMARK 500 10 GLN A 5 -31.48 -36.43
REMARK 500 10 LYS A 28 -51.40 81.99
REMARK 500 11 GLN A 5 -31.40 -36.50
REMARK 500 11 MET A 24 -64.78 -125.97
REMARK 500 12 GLN A 5 -31.32 -36.57
REMARK 500 13 GLN A 5 -31.00 -36.93
REMARK 500 13 ILE A 22 -77.57 -57.20
REMARK 500 13 LYS A 28 77.96 40.15
REMARK 500 14 LEU A 3 -37.70 -39.93
REMARK 500 14 GLN A 5 -30.40 -37.91
REMARK 500 15 HIS A 2 93.37 45.71
REMARK 500 15 GLN A 5 -31.35 -37.51
REMARK 500 15 ILE A 22 -74.34 -65.38
REMARK 500 15 LYS A 28 -31.14 90.07
REMARK 500 16 LEU A 3 -76.02 -47.66
REMARK 500 16 GLN A 5 -33.18 -35.29
REMARK 500 16 LYS A 28 58.46 -118.73
REMARK 500 17 LEU A 3 -75.66 -47.55
REMARK 500 17 GLN A 5 -32.90 -35.30
REMARK 500 18 HIS A 2 89.78 -166.68
REMARK 500 18 GLN A 5 -31.01 -36.85
REMARK 500 18 LYS A 28 -65.07 -139.82
REMARK 500 19 HIS A 2 91.99 43.42
REMARK 500 19 LYS A 28 81.71 43.26
REMARK 500 20 GLN A 5 -30.59 -37.64
REMARK 500 20 MET A 24 -66.56 -128.12
REMARK 500 20 LYS A 28 77.98 40.11
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 18409 RELATED DB: BMRB
DBREF 2LS3 A 2 27 UNP O15431 COPT1_HUMAN 132 157
SEQADV 2LS3 LYS A 1 UNP O15431 EXPRESSION TAG
SEQADV 2LS3 LYS A 28 UNP O15431 EXPRESSION TAG
SEQADV 2LS3 LYS A 29 UNP O15431 EXPRESSION TAG
SEQRES 1 A 29 LYS HIS LEU LEU GLN THR VAL LEU HIS ILE ILE GLN VAL
SEQRES 2 A 29 VAL ILE SER TYR PHE LEU MET LEU ILE PHE MET THR TYR
SEQRES 3 A 29 ASN LYS LYS
HELIX 1 1 LEU A 3 TYR A 26 1 24
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.)
END
