Header list of 1k5k.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSCRIPTION 11-OCT-01 1K5K
TITLE HOMONUCLEAR 1H NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND STRUCTURAL
TITLE 2 CHARACTERIZATION OF HIV-1 TAT MAL PROTEIN
CAVEAT 1K5K CHIRALITY ERROR AT CA CENTER OF CYS 31, MET 36, AND ASP 80
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TAT PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: TRANSACTIVATING REGULATORY PROTEIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PROTEIN IS NATURALLY FOUND IN HUMAN IMMUNODEFICIENCY VIRUS-1.
KEYWDS HIV-1, TAT, REGULATORY PROTEIN, AFRICAN VARIANT, NMR., TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR C.GREGOIRE,J.M.PELOPONESE,D.ESQUIEU,S.OPI,G.CAMPBELL,M.SOLOMIAC,
AUTHOR 2 E.LEBRUN,J.LEBRETON,E.P.LORET
REVDAT 4 23-FEB-22 1K5K 1 REMARK
REVDAT 3 24-FEB-09 1K5K 1 VERSN
REVDAT 2 01-APR-03 1K5K 1 JRNL
REVDAT 1 19-JUN-02 1K5K 0
JRNL AUTH C.GREGOIRE,J.M.PELOPONESE JR.,D.ESQUIEU,S.OPI,G.CAMPBELL,
JRNL AUTH 2 M.SOLOMIAC,E.LEBRUN,J.LEBRETON,E.P.LORET
JRNL TITL HOMONUCLEAR (1)H-NMR ASSIGNMENT AND STRUCTURAL
JRNL TITL 2 CHARACTERIZATION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 TAT
JRNL TITL 3 MAL PROTEIN.
JRNL REF BIOPOLYMERS V. 62 324 2001
JRNL REFN ISSN 0006-3525
JRNL PMID 11857271
JRNL DOI 10.1002/BIP.10000
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 972, DISCOVER 2000
REMARK 3 AUTHORS : MSI (FELIX), MSI (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1K5K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-OCT-01.
REMARK 100 THE DEPOSITION ID IS D_1000014587.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 4.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM TAT MAL; 100MM PHOSPHATE
REMARK 210 BUFFER; 90% H20 10% D2O; AZIDE 2/
REMARK 210 1000
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DISCOVER 2000
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH
REMARK 210 EXPERIMENTAL NOESY SPECTRUM
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING FOUR NMR EXPERIMENTS
REMARK 210 (TOCSY, NOESY 100 MS, NOESY 150 MS & NOESY 200 MS).
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 HD1 HIS A 81 HD3 PRO A 82 1.16
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 5 HIS A 77 CG HIS A 77 CD2 0.104
REMARK 500 10 HIS A 77 CG HIS A 77 CD2 0.073
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 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 CYS A 30 O - C - N ANGL. DEV. = -9.8 DEGREES
REMARK 500 1 HIS A 33 CB - CG - CD2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 1 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 ARG A 55 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 ARG A 56 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 ARG A 57 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 ARG A 57 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 1 PRO A 59 CA - C - N ANGL. DEV. = 13.2 DEGREES
REMARK 500 1 PRO A 59 O - C - N ANGL. DEV. = -10.0 DEGREES
REMARK 500 1 ARG A 78 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 CYS A 30 O - C - N ANGL. DEV. = -11.6 DEGREES
REMARK 500 2 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 ARG A 55 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 ARG A 56 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES
REMARK 500 2 ARG A 56 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 2 ARG A 57 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 PRO A 68 N - CA - CB ANGL. DEV. = -8.9 DEGREES
REMARK 500 2 ARG A 78 NE - CZ - NH1 ANGL. DEV. = 6.6 DEGREES
REMARK 500 2 ARG A 78 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 2 GLU A 87 N - CA - CB ANGL. DEV. = 12.3 DEGREES
REMARK 500 3 ARG A 19 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 3 CYS A 27 CB - CA - C ANGL. DEV. = 8.6 DEGREES
REMARK 500 3 CYS A 30 CB - CA - C ANGL. DEV. = 7.2 DEGREES
REMARK 500 3 HIS A 33 CB - CG - CD2 ANGL. DEV. = -9.9 DEGREES
REMARK 500 3 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 3 ARG A 49 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 3 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 3 ARG A 52 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 3 ARG A 56 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 3 ARG A 57 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 3 PRO A 59 CA - C - N ANGL. DEV. = 17.1 DEGREES
REMARK 500 3 PRO A 59 O - C - N ANGL. DEV. = -13.0 DEGREES
REMARK 500 3 ARG A 78 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 4 ASP A 5 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 4 SER A 16 N - CA - CB ANGL. DEV. = 10.0 DEGREES
REMARK 500 4 HIS A 33 CB - CG - CD2 ANGL. DEV. = -10.1 DEGREES
REMARK 500 4 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 4 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 4 ARG A 52 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 4 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 4 ARG A 53 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES
REMARK 500 4 ARG A 56 NE - CZ - NH1 ANGL. DEV. = 5.3 DEGREES
REMARK 500 4 ARG A 56 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 4 ARG A 57 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 ARG A 57 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 4 PRO A 59 CA - C - N ANGL. DEV. = 15.2 DEGREES
REMARK 500 4 PRO A 59 O - C - N ANGL. DEV. = -10.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 139 ANGLE DEVIATIONS.
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 VAL A 4 -104.30 -78.37
REMARK 500 1 ASP A 5 -46.50 -137.96
REMARK 500 1 ASN A 7 -81.81 -72.71
REMARK 500 1 SER A 16 -103.52 -165.71
REMARK 500 1 ARG A 19 49.93 28.35
REMARK 500 1 ASN A 23 -174.55 66.70
REMARK 500 1 CYS A 27 -90.41 67.04
REMARK 500 1 LYS A 28 94.67 62.41
REMARK 500 1 CYS A 30 -73.40 -133.40
REMARK 500 1 CYS A 31 160.69 86.33
REMARK 500 1 GLN A 35 -91.65 56.03
REMARK 500 1 MET A 36 103.06 -55.90
REMARK 500 1 CYS A 37 -77.69 -72.45
REMARK 500 1 PHE A 38 88.75 -154.95
REMARK 500 1 LYS A 41 77.73 -103.51
REMARK 500 1 LEU A 43 59.74 -90.87
REMARK 500 1 ILE A 45 -70.01 -133.08
REMARK 500 1 ARG A 49 -72.77 -74.67
REMARK 500 1 LYS A 50 58.17 -97.17
REMARK 500 1 LYS A 51 -111.25 -141.56
REMARK 500 1 ARG A 52 86.86 72.62
REMARK 500 1 ARG A 53 -160.65 -123.37
REMARK 500 1 GLN A 54 114.45 -167.74
REMARK 500 1 ARG A 57 -66.77 -122.35
REMARK 500 1 PRO A 68 -117.93 -94.72
REMARK 500 1 LEU A 69 -53.62 -150.29
REMARK 500 1 SER A 74 -134.39 -148.32
REMARK 500 1 GLN A 76 74.91 74.17
REMARK 500 1 ARG A 78 -70.72 -140.27
REMARK 500 1 HIS A 81 -30.69 -154.72
REMARK 500 2 VAL A 4 -108.07 -76.23
REMARK 500 2 ASP A 5 -38.40 -138.15
REMARK 500 2 ASN A 7 -84.24 -78.82
REMARK 500 2 ASN A 12 85.03 -164.19
REMARK 500 2 SER A 16 -106.09 -167.78
REMARK 500 2 ARG A 19 58.87 10.14
REMARK 500 2 ASN A 23 178.84 63.54
REMARK 500 2 LYS A 24 20.24 -75.24
REMARK 500 2 CYS A 27 -77.37 60.98
REMARK 500 2 LYS A 28 96.66 53.97
REMARK 500 2 CYS A 30 -78.49 -116.60
REMARK 500 2 CYS A 31 164.34 83.08
REMARK 500 2 GLN A 35 -91.13 72.54
REMARK 500 2 MET A 36 107.52 -57.51
REMARK 500 2 CYS A 37 -88.49 -74.27
REMARK 500 2 ILE A 45 -61.96 -126.54
REMARK 500 2 ARG A 49 -71.89 -72.60
REMARK 500 2 LYS A 50 58.06 -101.46
REMARK 500 2 LYS A 51 -111.40 -139.25
REMARK 500 2 ARG A 52 87.85 70.45
REMARK 500
REMARK 500 THIS ENTRY HAS 287 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 PRO A 10 TRP A 11 1 147.33
REMARK 500 TYR A 32 HIS A 33 1 120.97
REMARK 500 SER A 46 TYR A 47 1 149.39
REMARK 500 PRO A 82 THR A 83 1 136.23
REMARK 500 LYS A 86 GLU A 87 1 -143.80
REMARK 500 PRO A 10 TRP A 11 2 144.16
REMARK 500 TYR A 32 HIS A 33 2 125.89
REMARK 500 SER A 46 TYR A 47 2 145.53
REMARK 500 PRO A 82 THR A 83 2 140.82
REMARK 500 PRO A 10 TRP A 11 3 148.27
REMARK 500 TYR A 32 HIS A 33 3 129.59
REMARK 500 PRO A 82 THR A 83 3 135.68
REMARK 500 LYS A 86 GLU A 87 3 -145.99
REMARK 500 PRO A 10 TRP A 11 4 145.48
REMARK 500 TYR A 32 HIS A 33 4 136.29
REMARK 500 ARG A 53 GLN A 54 4 -148.08
REMARK 500 GLN A 66 ASP A 67 4 147.95
REMARK 500 PRO A 82 THR A 83 4 142.50
REMARK 500 LYS A 86 GLU A 87 4 -147.39
REMARK 500 PRO A 10 TRP A 11 5 145.32
REMARK 500 TYR A 32 HIS A 33 5 126.26
REMARK 500 HIS A 65 GLN A 66 5 -147.28
REMARK 500 PRO A 82 THR A 83 5 141.68
REMARK 500 LYS A 86 GLU A 87 5 -149.25
REMARK 500 PRO A 10 TRP A 11 6 144.77
REMARK 500 TYR A 32 HIS A 33 6 117.97
REMARK 500 SER A 46 TYR A 47 6 149.73
REMARK 500 HIS A 65 GLN A 66 6 -146.25
REMARK 500 PRO A 82 THR A 83 6 137.51
REMARK 500 LYS A 86 GLU A 87 6 -145.49
REMARK 500 SER A 16 GLN A 17 7 -149.90
REMARK 500 TYR A 32 HIS A 33 7 125.06
REMARK 500 PRO A 82 THR A 83 7 137.78
REMARK 500 LYS A 86 GLU A 87 7 -144.93
REMARK 500 TYR A 32 HIS A 33 8 134.81
REMARK 500 GLN A 66 ASP A 67 8 148.18
REMARK 500 PRO A 82 THR A 83 8 140.19
REMARK 500 LYS A 86 GLU A 87 8 -148.50
REMARK 500 TYR A 32 HIS A 33 9 141.57
REMARK 500 PRO A 82 THR A 83 9 139.02
REMARK 500 PRO A 10 TRP A 11 10 148.71
REMARK 500 TYR A 32 HIS A 33 10 143.14
REMARK 500 GLN A 60 GLY A 61 10 148.33
REMARK 500 PRO A 82 THR A 83 10 137.31
REMARK 500 LYS A 86 GLU A 87 10 -145.75
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 HIS A 33 0.10 SIDE CHAIN
REMARK 500 2 ARG A 19 0.09 SIDE CHAIN
REMARK 500 2 ARG A 78 0.10 SIDE CHAIN
REMARK 500 3 HIS A 33 0.09 SIDE CHAIN
REMARK 500 3 ARG A 78 0.09 SIDE CHAIN
REMARK 500 4 ARG A 19 0.11 SIDE CHAIN
REMARK 500 4 HIS A 33 0.10 SIDE CHAIN
REMARK 500 4 ARG A 52 0.09 SIDE CHAIN
REMARK 500 5 HIS A 33 0.11 SIDE CHAIN
REMARK 500 5 ARG A 56 0.09 SIDE CHAIN
REMARK 500 6 HIS A 33 0.12 SIDE CHAIN
REMARK 500 6 HIS A 81 0.10 SIDE CHAIN
REMARK 500 7 HIS A 33 0.09 SIDE CHAIN
REMARK 500 7 HIS A 81 0.08 SIDE CHAIN
REMARK 500 8 HIS A 33 0.12 SIDE CHAIN
REMARK 500 8 ARG A 78 0.08 SIDE CHAIN
REMARK 500 9 TYR A 32 0.09 SIDE CHAIN
REMARK 500 9 HIS A 33 0.13 SIDE CHAIN
REMARK 500 9 TYR A 47 0.08 SIDE CHAIN
REMARK 500 9 ARG A 55 0.08 SIDE CHAIN
REMARK 500 9 ARG A 57 0.07 SIDE CHAIN
REMARK 500 10 HIS A 33 0.10 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 6 SER A 46 -11.29
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1JFW RELATED DB: PDB
REMARK 900 1JFW IS THE NMR STRUCTURE OF A EUROPEAN TAT VARIANT
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 THIS IS A SYNTHETIC PROTEIN WHICH HAS THE
REMARK 999 FULL BIOLOGICAL ACTIVITIES OF NATURAL TAT.
REMARK 999 PELOPONESE ET AL. (1999) J. BIOL. CHEM. 274,
REMARK 999 11473-11479.
DBREF 1K5K A 1 87 UNP P04613 TAT_HV1MA 1 87
SEQRES 1 A 87 MET ASP PRO VAL ASP PRO ASN LEU GLU PRO TRP ASN HIS
SEQRES 2 A 87 PRO GLY SER GLN PRO ARG THR PRO CYS ASN LYS CYS TYR
SEQRES 3 A 87 CYS LYS LYS CYS CYS TYR HIS CYS GLN MET CYS PHE ILE
SEQRES 4 A 87 THR LYS GLY LEU GLY ILE SER TYR GLY ARG LYS LYS ARG
SEQRES 5 A 87 ARG GLN ARG ARG ARG PRO PRO GLN GLY ASN GLN ALA HIS
SEQRES 6 A 87 GLN ASP PRO LEU PRO GLU GLN PRO SER SER GLN HIS ARG
SEQRES 7 A 87 GLY ASP HIS PRO THR GLY PRO LYS GLU
HELIX 1 1 GLY A 61 GLN A 66 1 6
CISPEP 1 ASP A 5 PRO A 6 1 -15.28
CISPEP 2 GLN A 17 PRO A 18 1 10.74
CISPEP 3 THR A 20 PRO A 21 1 -15.78
CISPEP 4 CYS A 30 CYS A 31 1 8.02
CISPEP 5 PRO A 59 GLN A 60 1 0.55
CISPEP 6 ASP A 5 PRO A 6 2 -25.81
CISPEP 7 GLN A 17 PRO A 18 2 2.94
CISPEP 8 THR A 20 PRO A 21 2 -9.97
CISPEP 9 CYS A 30 CYS A 31 2 15.16
CISPEP 10 PRO A 59 GLN A 60 2 5.10
CISPEP 11 ASP A 5 PRO A 6 3 -10.04
CISPEP 12 GLN A 17 PRO A 18 3 9.24
CISPEP 13 THR A 20 PRO A 21 3 -17.87
CISPEP 14 CYS A 30 CYS A 31 3 8.25
CISPEP 15 PRO A 59 GLN A 60 3 -1.10
CISPEP 16 ASP A 5 PRO A 6 4 -12.09
CISPEP 17 GLN A 17 PRO A 18 4 17.77
CISPEP 18 THR A 20 PRO A 21 4 -15.22
CISPEP 19 CYS A 30 CYS A 31 4 -5.85
CISPEP 20 PRO A 59 GLN A 60 4 0.34
CISPEP 21 ASP A 5 PRO A 6 5 -22.53
CISPEP 22 GLN A 17 PRO A 18 5 11.23
CISPEP 23 THR A 20 PRO A 21 5 -12.43
CISPEP 24 CYS A 30 CYS A 31 5 2.42
CISPEP 25 PRO A 59 GLN A 60 5 -2.62
CISPEP 26 ASP A 5 PRO A 6 6 -7.20
CISPEP 27 GLN A 17 PRO A 18 6 4.07
CISPEP 28 THR A 20 PRO A 21 6 -10.92
CISPEP 29 CYS A 30 CYS A 31 6 16.62
CISPEP 30 PRO A 59 GLN A 60 6 8.31
CISPEP 31 ASP A 5 PRO A 6 7 -10.18
CISPEP 32 GLN A 17 PRO A 18 7 12.35
CISPEP 33 THR A 20 PRO A 21 7 -4.02
CISPEP 34 CYS A 30 CYS A 31 7 7.01
CISPEP 35 PRO A 59 GLN A 60 7 -7.76
CISPEP 36 ASP A 5 PRO A 6 8 -7.89
CISPEP 37 GLN A 17 PRO A 18 8 6.51
CISPEP 38 THR A 20 PRO A 21 8 -14.77
CISPEP 39 CYS A 30 CYS A 31 8 1.17
CISPEP 40 PRO A 59 GLN A 60 8 -8.85
CISPEP 41 ASP A 5 PRO A 6 9 -18.47
CISPEP 42 GLN A 17 PRO A 18 9 1.34
CISPEP 43 THR A 20 PRO A 21 9 -17.56
CISPEP 44 CYS A 30 CYS A 31 9 5.92
CISPEP 45 PRO A 59 GLN A 60 9 3.75
CISPEP 46 ASP A 5 PRO A 6 10 -14.46
CISPEP 47 GLN A 17 PRO A 18 10 4.19
CISPEP 48 THR A 20 PRO A 21 10 -6.71
CISPEP 49 CYS A 30 CYS A 31 10 11.44
CISPEP 50 PRO A 59 GLN A 60 10 -20.47
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