Header list of 1hrj.pdb file
Complete list - b 23 2 Bytes
HEADER CYTOKINE (CHEMOTACTIC) 18-AUG-95 1HRJ
TITLE HUMAN RANTES, NMR, 13 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HUMAN REGULATED UPON ACTIVATION NORMAL T-CELL EXPRESSED AND
COMPND 3 SECRETED;
COMPND 4 CHAIN: A, B;
COMPND 5 SYNONYM: HUMAN RANTES;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: PH 3.2, 313 K
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
KEYWDS CC CHEMOKINE, CYTOKINE (CHEMOTACTIC)
EXPDTA SOLUTION NMR
NUMMDL 13
AUTHOR C.CHUNG,R.M.COOKE,A.E.I.PROUDFOOT,T.N.C.WELLS
REVDAT 3 23-FEB-22 1HRJ 1 REMARK
REVDAT 2 24-FEB-09 1HRJ 1 VERSN
REVDAT 1 14-OCT-96 1HRJ 0
JRNL AUTH C.W.CHUNG,R.M.COOKE,A.E.PROUDFOOT,T.N.WELLS
JRNL TITL THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF RANTES.
JRNL REF BIOCHEMISTRY V. 34 9307 1995
JRNL REFN ISSN 0006-2960
JRNL PMID 7542919
JRNL DOI 10.1021/BI00029A005
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : HAVEL (DGII), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1HRJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173977.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 13
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 SER A 4 -76.65 -120.31
REMARK 500 1 ASP A 6 -155.52 -153.40
REMARK 500 1 PRO A 9 100.52 -58.38
REMARK 500 1 PHE A 12 -71.02 -109.55
REMARK 500 1 ARG A 17 124.05 173.39
REMARK 500 1 PRO A 18 98.59 -57.40
REMARK 500 1 GLU A 26 -160.35 -169.63
REMARK 500 1 THR A 30 165.88 -42.83
REMARK 500 1 LYS A 33 65.36 178.33
REMARK 500 1 CYS A 34 26.90 -158.16
REMARK 500 1 ASN A 36 57.95 -171.14
REMARK 500 1 ALA A 38 -160.06 178.67
REMARK 500 1 THR A 43 -163.99 -74.06
REMARK 500 1 ALA A 51 12.84 -152.63
REMARK 500 1 ASN A 52 130.99 72.73
REMARK 500 1 LYS A 56 -87.81 63.23
REMARK 500 1 MET A 67 100.80 -58.10
REMARK 500 1 SER B 4 -76.61 -120.42
REMARK 500 1 ASP B 6 -156.13 -152.72
REMARK 500 1 PRO B 9 100.65 -58.52
REMARK 500 1 PHE B 12 -70.95 -109.51
REMARK 500 1 ARG B 17 124.01 173.33
REMARK 500 1 PRO B 18 98.33 -57.27
REMARK 500 1 GLU B 26 -161.03 -168.76
REMARK 500 1 THR B 30 166.54 -43.75
REMARK 500 1 LYS B 33 65.31 178.34
REMARK 500 1 CYS B 34 26.80 -158.05
REMARK 500 1 ASN B 36 57.94 -171.11
REMARK 500 1 ALA B 38 -159.65 178.09
REMARK 500 1 THR B 43 -164.11 -75.09
REMARK 500 1 ALA B 51 12.19 -151.57
REMARK 500 1 ASN B 52 131.46 72.44
REMARK 500 1 LYS B 56 -87.88 63.25
REMARK 500 1 MET B 67 100.85 -58.19
REMARK 500 2 TYR A 3 -69.41 -145.14
REMARK 500 2 SER A 5 93.68 54.54
REMARK 500 2 ASP A 6 -154.68 -140.02
REMARK 500 2 CYS A 10 144.54 176.17
REMARK 500 2 ARG A 17 104.07 173.65
REMARK 500 2 PRO A 18 89.03 -56.71
REMARK 500 2 GLU A 26 -161.89 -178.29
REMARK 500 2 SER A 31 -71.30 -70.45
REMARK 500 2 LYS A 33 23.08 -156.22
REMARK 500 2 ASN A 36 67.44 -169.01
REMARK 500 2 ALA A 38 -160.78 -171.88
REMARK 500 2 VAL A 49 -175.95 -52.34
REMARK 500 2 ALA A 51 22.58 -157.33
REMARK 500 2 ASN A 52 141.94 63.10
REMARK 500 2 GLU A 54 63.34 -102.50
REMARK 500 2 LYS A 56 -87.58 61.88
REMARK 500
REMARK 500 THIS ENTRY HAS 433 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 17 0.30 SIDE CHAIN
REMARK 500 1 ARG A 21 0.16 SIDE CHAIN
REMARK 500 1 ARG A 44 0.30 SIDE CHAIN
REMARK 500 1 ARG A 47 0.23 SIDE CHAIN
REMARK 500 1 ARG A 59 0.15 SIDE CHAIN
REMARK 500 1 ARG B 17 0.30 SIDE CHAIN
REMARK 500 1 ARG B 21 0.16 SIDE CHAIN
REMARK 500 1 ARG B 44 0.30 SIDE CHAIN
REMARK 500 1 ARG B 47 0.23 SIDE CHAIN
REMARK 500 1 ARG B 59 0.15 SIDE CHAIN
REMARK 500 2 ARG A 17 0.22 SIDE CHAIN
REMARK 500 2 ARG A 21 0.29 SIDE CHAIN
REMARK 500 2 ARG A 44 0.25 SIDE CHAIN
REMARK 500 2 ARG A 47 0.19 SIDE CHAIN
REMARK 500 2 ARG A 59 0.16 SIDE CHAIN
REMARK 500 2 ARG B 17 0.22 SIDE CHAIN
REMARK 500 2 ARG B 21 0.29 SIDE CHAIN
REMARK 500 2 ARG B 44 0.25 SIDE CHAIN
REMARK 500 2 ARG B 47 0.19 SIDE CHAIN
REMARK 500 2 ARG B 59 0.16 SIDE CHAIN
REMARK 500 3 ARG A 17 0.26 SIDE CHAIN
REMARK 500 3 ARG A 21 0.29 SIDE CHAIN
REMARK 500 3 ARG A 44 0.29 SIDE CHAIN
REMARK 500 3 ARG A 47 0.28 SIDE CHAIN
REMARK 500 3 ARG A 59 0.23 SIDE CHAIN
REMARK 500 3 ARG B 17 0.26 SIDE CHAIN
REMARK 500 3 ARG B 21 0.29 SIDE CHAIN
REMARK 500 3 ARG B 44 0.29 SIDE CHAIN
REMARK 500 3 ARG B 47 0.28 SIDE CHAIN
REMARK 500 3 ARG B 59 0.23 SIDE CHAIN
REMARK 500 4 ARG A 17 0.23 SIDE CHAIN
REMARK 500 4 ARG A 21 0.15 SIDE CHAIN
REMARK 500 4 ARG A 44 0.21 SIDE CHAIN
REMARK 500 4 ARG A 47 0.31 SIDE CHAIN
REMARK 500 4 ARG A 59 0.22 SIDE CHAIN
REMARK 500 4 ARG B 17 0.23 SIDE CHAIN
REMARK 500 4 ARG B 21 0.15 SIDE CHAIN
REMARK 500 4 ARG B 44 0.21 SIDE CHAIN
REMARK 500 4 ARG B 47 0.32 SIDE CHAIN
REMARK 500 4 ARG B 59 0.22 SIDE CHAIN
REMARK 500 5 ARG A 17 0.29 SIDE CHAIN
REMARK 500 5 ARG A 21 0.32 SIDE CHAIN
REMARK 500 5 ARG A 44 0.32 SIDE CHAIN
REMARK 500 5 ARG A 47 0.31 SIDE CHAIN
REMARK 500 5 ARG A 59 0.26 SIDE CHAIN
REMARK 500 5 ARG B 17 0.29 SIDE CHAIN
REMARK 500 5 ARG B 21 0.32 SIDE CHAIN
REMARK 500 5 ARG B 44 0.32 SIDE CHAIN
REMARK 500 5 ARG B 47 0.31 SIDE CHAIN
REMARK 500 5 ARG B 59 0.26 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 130 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1HRJ A 1 68 UNP P13501 CCL5_HUMAN 24 91
DBREF 1HRJ B 1 68 UNP P13501 CCL5_HUMAN 24 91
SEQRES 1 A 68 SER PRO TYR SER SER ASP THR THR PRO CYS CYS PHE ALA
SEQRES 2 A 68 TYR ILE ALA ARG PRO LEU PRO ARG ALA HIS ILE LYS GLU
SEQRES 3 A 68 TYR PHE TYR THR SER GLY LYS CYS SER ASN PRO ALA VAL
SEQRES 4 A 68 VAL PHE VAL THR ARG LYS ASN ARG GLN VAL CYS ALA ASN
SEQRES 5 A 68 PRO GLU LYS LYS TRP VAL ARG GLU TYR ILE ASN SER LEU
SEQRES 6 A 68 GLU MET SER
SEQRES 1 B 68 SER PRO TYR SER SER ASP THR THR PRO CYS CYS PHE ALA
SEQRES 2 B 68 TYR ILE ALA ARG PRO LEU PRO ARG ALA HIS ILE LYS GLU
SEQRES 3 B 68 TYR PHE TYR THR SER GLY LYS CYS SER ASN PRO ALA VAL
SEQRES 4 B 68 VAL PHE VAL THR ARG LYS ASN ARG GLN VAL CYS ALA ASN
SEQRES 5 B 68 PRO GLU LYS LYS TRP VAL ARG GLU TYR ILE ASN SER LEU
SEQRES 6 B 68 GLU MET SER
HELIX 1 1 TRP A 57 SER A 64 1 8
HELIX 2 2 TRP B 57 SER B 64 1 8
SHEET 1 A 3 GLN A 48 CYS A 50 0
SHEET 2 A 3 VAL A 39 THR A 43 -1 N PHE A 41 O VAL A 49
SHEET 3 A 3 ILE A 24 TYR A 29 -1 N PHE A 28 O VAL A 40
SHEET 1 B 3 GLN B 48 CYS B 50 0
SHEET 2 B 3 VAL B 39 THR B 43 -1 N PHE B 41 O VAL B 49
SHEET 3 B 3 ILE B 24 TYR B 29 -1 N PHE B 28 O VAL B 40
SSBOND 1 CYS A 10 CYS A 34 1555 1555 2.02
SSBOND 2 CYS A 11 CYS A 50 1555 1555 1.98
SSBOND 3 CYS B 10 CYS B 34 1555 1555 2.02
SSBOND 4 CYS B 11 CYS B 50 1555 1555 1.98
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 - b 23 2 Bytes