Header list of 2hp8.pdb file
Complete list - g 21 2 Bytes
HEADER CYSTEINE MOTIF 26-AUG-97 2HP8
TITLE SOLUTION STRUCTURE OF HUMAN P8-MTCP1, A CYSTEINE-RICH PROTEIN ENCODED
TITLE 2 BY THE MTCP1 ONCOGENE,REVEALS A NEW ALPHA-HELICAL ASSEMBLY MOTIF,
TITLE 3 NMR, 30 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CX9C MOTIF-CONTAINING PROTEIN 4;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: MATURE T-CELL PROLIFERATION 1 NEIGHBOR PROTEIN,MATURE T-CELL
COMPND 5 PROLIFERATION-1 TYPE A,MTCP-1 TYPE A,PROTEIN P8 MTCP-1,P8MTCP1;
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 CELL: T-LYMPHOCYTE;
SOURCE 6 CELLULAR_LOCATION: MITOCHONDRIA;
SOURCE 7 GENE: CMC4, C6.1B, MTCP1, MTCP1NB;
SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 9 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 10 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PGEX2T
KEYWDS HU-P8, LEUKEMIA, CYSTEINE MOTIF
EXPDTA SOLUTION NMR
NUMMDL 30
AUTHOR P.BARTHE,L.CHICHE,M.P.STRUB,C.ROUMESTAND
REVDAT 4 21-AUG-19 2HP8 1 COMPND SOURCE REMARK DBREF
REVDAT 4 2 1 SEQADV SEQRES HET HETNAM
REVDAT 4 3 1 FORMUL HELIX SSBOND ATOM
REVDAT 3 24-FEB-09 2HP8 1 VERSN
REVDAT 2 01-APR-03 2HP8 1 JRNL
REVDAT 1 04-MAR-98 2HP8 0
JRNL AUTH P.BARTHE,Y.S.YANG,L.CHICHE,F.HOH,M.P.STRUB,L.GUIGNARD,
JRNL AUTH 2 J.SOULIER,M.H.STERN,H.VAN TILBEURGH,J.M.LHOSTE,C.ROUMESTAND
JRNL TITL SOLUTION STRUCTURE OF HUMAN P8MTCP1, A CYSTEINE-RICH PROTEIN
JRNL TITL 2 ENCODED BY THE MTCP1 ONCOGENE, REVEALS A NEW ALPHA-HELICAL
JRNL TITL 3 ASSEMBLY MOTIF.
JRNL REF J.MOL.BIOL. V. 274 801 1997
JRNL REFN ISSN 0022-2836
JRNL PMID 9405159
JRNL DOI 10.1006/JMBI.1997.1438
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.SOULIER,A.MADANI,V.CACHEUX,M.ROSENZWAJG,F.SIGAUX,M.H.STERN
REMARK 1 TITL THE MTCP-1/C6.1B GENE ENCODES FOR A CYTOPLASMIC 8 KD PROTEIN
REMARK 1 TITL 2 OVEREXPRESSED IN T CELL LEUKEMIA BEARING A T(X;14)
REMARK 1 TITL 3 TRANSLOCATION
REMARK 1 REF ONCOGENE V. 9 3565 1994
REMARK 1 REFN ISSN 0950-9232
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.H.STERN,J.SOULIER,M.ROSENZWAJG,K.NAKAHARA,N.CANKI-KLAIN,
REMARK 1 AUTH 2 A.AURIAS,F.SIGAUX,I.R.KIRSCH
REMARK 1 TITL MTCP-1: A NOVEL GENE ON THE HUMAN CHROMOSOME XQ28
REMARK 1 TITL 2 TRANSLOCATED TO THE T CELL RECEPTOR ALPHA/DELTA LOCUS IN
REMARK 1 TITL 3 MATURE T CELL PROLIFERATIONS
REMARK 1 REF ONCOGENE V. 8 2475 1993
REMARK 1 REFN ISSN 0950-9232
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER
REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,
REMARK 3 FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE 3D STRUCTURE OF P8-MTCP1 IN
REMARK 3 SOLUTION BY NMR IS BASED ON 931 APPROXIMATE INTERPROTON DISTANCE
REMARK 3 RESTRAINTS AND 57 TORSION ANGLE RESTRAINTS DERIVED FROM NOE AND
REMARK 3 COUPLING CONSTANT MEASUREMENTS. THE STRUCTURES ARE CALCULATED
REMARK 3 USING THE DISTANCE GEOMETRY DIANA METHOD AND REFINED USING A
REMARK 3 SIMULATED-ANNEALING PROTOCOL WITH THE PROGRAM AMBER 4.1.
REMARK 4
REMARK 4 2HP8 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_1000178214.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 10MM PO4
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : UXNMR, GIFA, DIANA, AMBER
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND RESTRAINED
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-30
REMARK 465 RES C SSSEQI
REMARK 465 GLY A -5
REMARK 465 SER A -4
REMARK 465 PRO A -3
REMARK 465 GLY A -2
REMARK 465 ILE A -1
REMARK 465 HIS A 0
REMARK 465 GLY A 69
REMARK 465 ILE A 70
REMARK 465 HIS A 71
REMARK 465 ARG A 72
REMARK 465 ASP A 73
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 HG SER A 26 O ALA A 66 1.51
REMARK 500 O SER A 47 HG SER A 51 1.56
REMARK 500 OG SER A 65 HG SER A 67 1.58
REMARK 500 O ARG A 63 HG SER A 65 1.60
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 PHE A 53 CB - CG - CD1 ANGL. DEV. = -4.8 DEGREES
REMARK 500 4 PHE A 53 CB - CG - CD1 ANGL. DEV. = -5.0 DEGREES
REMARK 500 4 ARG A 63 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES
REMARK 500 5 PHE A 53 CB - CG - CD1 ANGL. DEV. = -5.2 DEGREES
REMARK 500 6 PHE A 53 CB - CG - CD1 ANGL. DEV. = -4.3 DEGREES
REMARK 500 7 PHE A 53 CB - CG - CD1 ANGL. DEV. = -4.5 DEGREES
REMARK 500 14 ARG A 63 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 15 PHE A 53 CB - CG - CD1 ANGL. DEV. = -4.8 DEGREES
REMARK 500 16 PHE A 53 CB - CG - CD1 ANGL. DEV. = -5.1 DEGREES
REMARK 500 24 PHE A 53 CB - CG - CD1 ANGL. DEV. = -4.4 DEGREES
REMARK 500 26 PHE A 53 CB - CG - CD1 ANGL. DEV. = -5.1 DEGREES
REMARK 500 29 PHE A 53 CB - CG - CD1 ANGL. DEV. = -5.0 DEGREES
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 24 85.03 -69.88
REMARK 500 1 ALA A 66 27.63 -78.50
REMARK 500 2 LYS A 4 30.79 -68.78
REMARK 500 2 MET A 24 84.80 -69.86
REMARK 500 2 ALA A 40 0.95 -68.93
REMARK 500 2 ALA A 66 -161.87 -167.34
REMARK 500 3 LYS A 4 96.03 -65.33
REMARK 500 3 MET A 24 86.26 -69.62
REMARK 500 3 SER A 65 -164.15 -174.17
REMARK 500 3 ALA A 66 91.30 -64.51
REMARK 500 3 SER A 67 41.00 -65.21
REMARK 500 4 MET A 24 85.15 -66.57
REMARK 500 4 LYS A 64 17.94 -69.36
REMARK 500 5 GLN A 3 24.58 -68.52
REMARK 500 5 LYS A 4 -127.74 47.59
REMARK 500 5 LYS A 64 45.06 -80.61
REMARK 500 5 ALA A 66 -178.94 -65.07
REMARK 500 5 SER A 67 66.96 -65.62
REMARK 500 6 LYS A 4 -178.93 -65.77
REMARK 500 6 LYS A 64 -130.98 40.32
REMARK 500 6 SER A 67 76.04 -66.58
REMARK 500 7 PRO A 2 48.60 -80.52
REMARK 500 7 GLN A 3 91.45 -57.39
REMARK 500 7 LYS A 4 19.57 46.76
REMARK 500 8 MET A 24 84.64 -69.38
REMARK 500 8 CYS A 28 2.13 -68.95
REMARK 500 8 ALA A 66 32.89 -74.00
REMARK 500 9 MET A 24 85.44 -68.82
REMARK 500 9 LYS A 44 -38.74 -39.14
REMARK 500 9 SER A 67 -166.48 -174.76
REMARK 500 10 MET A 24 85.59 -69.98
REMARK 500 10 SER A 67 42.11 -68.50
REMARK 500 11 LYS A 64 4.47 -61.55
REMARK 500 11 SER A 65 -165.89 -74.19
REMARK 500 11 ALA A 66 92.83 -61.21
REMARK 500 12 GLN A 3 83.19 -69.43
REMARK 500 12 LYS A 4 16.95 50.24
REMARK 500 12 LYS A 64 47.46 -69.38
REMARK 500 12 ALA A 66 72.81 -63.61
REMARK 500 14 CYS A 28 0.61 -69.51
REMARK 500 14 LYS A 44 -36.49 -39.51
REMARK 500 15 GLN A 3 17.90 -69.16
REMARK 500 15 MET A 24 86.52 -69.47
REMARK 500 16 SER A 67 39.23 -70.56
REMARK 500 17 LYS A 4 -177.08 58.05
REMARK 500 17 ALA A 66 22.54 -141.71
REMARK 500 19 MET A 24 85.02 -69.60
REMARK 500 19 PRO A 43 94.26 -68.84
REMARK 500 19 LYS A 44 -28.74 -39.08
REMARK 500 20 MET A 24 86.92 -69.61
REMARK 500
REMARK 500 THIS ENTRY HAS 91 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 36 0.13 SIDE CHAIN
REMARK 500 3 TYR A 42 0.07 SIDE CHAIN
REMARK 500 4 ARG A 36 0.08 SIDE CHAIN
REMARK 500 4 TYR A 42 0.07 SIDE CHAIN
REMARK 500 8 ARG A 46 0.15 SIDE CHAIN
REMARK 500 11 TYR A 42 0.06 SIDE CHAIN
REMARK 500 16 TYR A 23 0.07 SIDE CHAIN
REMARK 500 16 TYR A 42 0.06 SIDE CHAIN
REMARK 500 19 TYR A 42 0.07 SIDE CHAIN
REMARK 500 20 ARG A 36 0.08 SIDE CHAIN
REMARK 500 24 ARG A 46 0.10 SIDE CHAIN
REMARK 500 25 ARG A 36 0.11 SIDE CHAIN
REMARK 500 26 ARG A 36 0.12 SIDE CHAIN
REMARK 500 27 TYR A 42 0.07 SIDE CHAIN
REMARK 500 29 TYR A 42 0.07 SIDE CHAIN
REMARK 500 30 ARG A 36 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1HP8 RELATED DB: PDB
DBREF 2HP8 A 1 68 UNP P56277 CMC4_HUMAN 1 68
SEQADV 2HP8 GLY A -5 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 SER A -4 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 PRO A -3 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 GLY A -2 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 ILE A -1 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 HIS A 0 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 GLY A 69 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 ILE A 70 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 HIS A 71 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 ARG A 72 UNP P56277 EXPRESSION TAG
SEQADV 2HP8 ASP A 73 UNP P56277 EXPRESSION TAG
SEQRES 1 A 79 GLY SER PRO GLY ILE HIS MET PRO GLN LYS ASP PRO CYS
SEQRES 2 A 79 GLN LYS GLN ALA CYS GLU ILE GLN LYS CYS LEU GLN ALA
SEQRES 3 A 79 ASN SER TYR MET GLU SER LYS CYS GLN ALA VAL ILE GLN
SEQRES 4 A 79 GLU LEU ARG LYS CYS CYS ALA GLN TYR PRO LYS GLY ARG
SEQRES 5 A 79 SER VAL VAL CYS SER GLY PHE GLU LYS GLU GLU GLU GLU
SEQRES 6 A 79 ASN LEU THR ARG LYS SER ALA SER LYS GLY ILE HIS ARG
SEQRES 7 A 79 ASP
HELIX 1 1 GLN A 8 ALA A 20 1 13
HELIX 2 2 GLN A 29 ALA A 40 1 12
HELIX 3 3 LYS A 44 ARG A 46 5 3
HELIX 4 4 VAL A 48 ARG A 63 1 16
SSBOND 1 CYS A 7 CYS A 38 1555 1555 2.05
SSBOND 2 CYS A 17 CYS A 28 1555 1555 2.06
SSBOND 3 CYS A 39 CYS A 50 1555 1555 2.03
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 - g 21 2 Bytes