Header list of 1j9o.pdb file
Complete list - 23 20 Bytes
HEADER CYTOKINE 28-MAY-01 1J9O
TITLE SOLUTION STRUCTURE OF HUMAN LYMPHOTACTIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LYMPHOTACTIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET3A
KEYWDS CHEMOKINE, CYTOKINE
EXPDTA SOLUTION NMR
AUTHOR E.S.KULOGLU,D.R.MCCASLIN,M.KITABWALLA,C.D.PAUZA,J.L.MARKLEY,
AUTHOR 2 B.F.VOLKMAN
REVDAT 4 23-FEB-22 1J9O 1 REMARK
REVDAT 3 24-FEB-09 1J9O 1 VERSN
REVDAT 2 01-APR-03 1J9O 1 JRNL
REVDAT 1 24-OCT-01 1J9O 0
JRNL AUTH E.S.KULOGLU,D.R.MCCASLIN,M.KITABWALLA,C.D.PAUZA,J.L.MARKLEY,
JRNL AUTH 2 B.F.VOLKMAN
JRNL TITL MONOMERIC SOLUTION STRUCTURE OF THE PROTOTYPICAL 'C'
JRNL TITL 2 CHEMOKINE LYMPHOTACTIN.
JRNL REF BIOCHEMISTRY V. 40 12486 2001
JRNL REFN ISSN 0006-2960
JRNL PMID 11601972
JRNL DOI 10.1021/BI011106P
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA
REMARK 3 AUTHORS : GUNTERT
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1258 NOE-DERIVED DISTANCE CONSTRAINTS, 60 DIHEDRAL ANGLE
REMARK 3 CONSTRAINTS AND 4 DISULFIDE BOND CONSTRAINTS.
REMARK 4
REMARK 4 1J9O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAY-01.
REMARK 100 THE DEPOSITION ID IS D_1000013534.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 200MM NACL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 1.3MM HUMAN LYMPHOTACTIN U-15N
REMARK 210 -13C; 20 MM PHOSPHATE BUFFER,
REMARK 210 200MM NACL; 1MM HUMAN
REMARK 210 LYMPHOTACTIN U-15N; 20 MM
REMARK 210 PHOSPHATE BUFFER, 200MM NACL;
REMARK 210 1MM HUMAN LYMPHOTACTIN; 20 MM
REMARK 210 PHOSPHATE BUFFER, 200MM NACL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX, NMRPIPE, XWINNMR, XEASY
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY, TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 VAL A 59 H MET A 63 1.54
REMARK 500 O THR A 28 H ILE A 38 1.56
REMARK 500 O THR A 26 H ILE A 40 1.57
REMARK 500 H LYS A 25 O ILE A 40 1.59
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 SER A 6 -25.47 89.31
REMARK 500 LYS A 8 179.42 -53.23
REMARK 500 ARG A 9 -62.47 -126.92
REMARK 500 VAL A 12 -78.34 -92.78
REMARK 500 SER A 13 -162.10 -117.84
REMARK 500 THR A 15 -138.04 70.05
REMARK 500 THR A 16 -4.57 82.88
REMARK 500 ARG A 18 87.80 -64.63
REMARK 500 LYS A 25 -77.14 -102.65
REMARK 500 SER A 33 -29.83 -39.59
REMARK 500 ARG A 35 55.44 37.67
REMARK 500 ALA A 88 110.04 -175.97
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1J8I RELATED DB: PDB
REMARK 900 1J8I IS THE ENSEMBLE WHILE THIS ENTRY IS THE MINIMIZED AVERAGE
REMARK 900 STRUCTURE OF THE SAME PROTEIN
DBREF 1J9O A 1 93 UNP P47992 XCL1_HUMAN 22 114
SEQRES 1 A 93 VAL GLY SER GLU VAL SER ASP LYS ARG THR CYS VAL SER
SEQRES 2 A 93 LEU THR THR GLN ARG LEU PRO VAL SER ARG ILE LYS THR
SEQRES 3 A 93 TYR THR ILE THR GLU GLY SER LEU ARG ALA VAL ILE PHE
SEQRES 4 A 93 ILE THR LYS ARG GLY LEU LYS VAL CYS ALA ASP PRO GLN
SEQRES 5 A 93 ALA THR TRP VAL ARG ASP VAL VAL ARG SER MET ASP ARG
SEQRES 6 A 93 LYS SER ASN THR ARG ASN ASN MET ILE GLN THR LYS PRO
SEQRES 7 A 93 THR GLY THR GLN GLN SER THR ASN THR ALA VAL THR LEU
SEQRES 8 A 93 THR GLY
HELIX 1 1 VAL A 21 ARG A 23 5 3
HELIX 2 2 THR A 54 LYS A 66 1 13
SHEET 1 A 3 ILE A 24 THR A 30 0
SHEET 2 A 3 ALA A 36 THR A 41 -1 N VAL A 37 O THR A 28
SHEET 3 A 3 LYS A 46 ASP A 50 -1 O VAL A 47 N PHE A 39
SSBOND 1 CYS A 11 CYS A 48 1555 1555 1.72
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
Complete list - 23 20 Bytes