Header list of 1wlx.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN BINDING 30-JUN-04 1WLX
TITLE SOLUTION STRUCTURE OF THE THIRD SPECTRIN REPEAT OF ALPHA-ACTININ-4
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ALPHA-ACTININ 4;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: THIRD SPECTRIN REPEAT (1-129);
COMPND 5 SYNONYM: NON-MUSCLE ALPHA-ACTININ 4, F-ACTIN CROSS LINKING PROTEIN;
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 GENE: ACTN4;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T2
KEYWDS THREE-HELIX BUNDLE, PROTEIN BINDING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.KOWALSKI,A.L.MERKEL,G.W.BOOKER
REVDAT 3 02-MAR-22 1WLX 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WLX 1 VERSN
REVDAT 1 09-AUG-05 1WLX 0
JRNL AUTH K.KOWALSKI,A.L.MERKEL,G.W.BOOKER
JRNL TITL SOLUTION STRUCTURE OF THE THIRD SPECTRIN REPEAT OF
JRNL TITL 2 ALPHA-ACTININ-4
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 1.8, ARIA 1.2
REMARK 3 AUTHORS : DELAGLIO ET AL (NMRPIPE), LINGE AND NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON A TOTAL OF 2256
REMARK 3 RESTRAINTS; 2021 NOE-DERIVED DISTANCE CONSTRAINTS, 235 DIHEDRAL
REMARK 3 ANGLE RESTRAINTS
REMARK 4
REMARK 4 1WLX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 02-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1000023723.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.75
REMARK 210 IONIC STRENGTH : 100MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.6MM ACTININ-4; 25MM PHOSPHATE
REMARK 210 BUFFER; 100MM NACL; 90% H2O, 10%
REMARK 210 D2O; 0.01% NAN3; 0.6MM ACTININ-4;
REMARK 210 25MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 90% H2O, 10% D2O; 0.01%
REMARK 210 NAN3; 0.6MM ACTININ-4 U-15N;
REMARK 210 25MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 90% H2O, 10% D2O; 0.01%
REMARK 210 NAN3; 0.6MM ACTININ-4 U-15N, 13C;
REMARK 210 25MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 90% H2O, 10% D2O; 0.01%
REMARK 210 NAN3; 0.6MM ACTININ-4 U-15N, 13C;
REMARK 210 25MM PHOSPHATE BUFFER; 100MM
REMARK 210 NACL; 90% H2O, 10% D2O; 0.01%
REMARK 210 NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3.11, CNS 1.1, ARIA 1.2
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 DYNAMICS, TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: ASSIGNMENTS WERE OBTAINED USING HNCACB, CBCA(CO)NH, HNCO,
REMARK 210 H(CCO)NH-TOCSY, C(CO)NH-TOCSY, 15N NOESY-HSQC, 13C HSQC, 1H
REMARK 210 TOCSY, 1H NOESY
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 OD2 ASP A 11 HH TYR A 95 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 1 HIS A 42 -65.52 -107.70
REMARK 500 1 GLN A 128 -128.92 -83.37
REMARK 500 2 LYS A 88 76.71 -107.01
REMARK 500 2 SER A 90 -119.03 53.13
REMARK 500 3 ASN A 85 -152.38 -98.64
REMARK 500 3 HIS A 86 38.85 -142.51
REMARK 500 3 LEU A 89 100.47 -40.74
REMARK 500 3 ASN A 93 119.12 71.36
REMARK 500 3 THR A 97 67.54 -108.46
REMARK 500 4 SER A 2 92.13 -68.33
REMARK 500 4 THR A 3 -30.12 -150.79
REMARK 500 4 HIS A 42 -50.50 -120.46
REMARK 500 4 ASN A 85 -148.32 -105.30
REMARK 500 4 GLN A 128 -141.39 -103.58
REMARK 500 5 HIS A 42 -51.19 -123.81
REMARK 500 5 ASN A 85 -153.78 -152.31
REMARK 500 5 LYS A 88 60.65 -117.44
REMARK 500 5 LEU A 89 -95.85 -138.62
REMARK 500 5 GLN A 128 -145.18 -92.52
REMARK 500 6 SER A 2 -74.63 -77.61
REMARK 500 6 ASN A 85 -159.04 -104.42
REMARK 500 6 VAL A 98 105.31 -43.83
REMARK 500 6 GLN A 128 -152.74 -100.78
REMARK 500 7 LEU A 89 -78.97 -48.47
REMARK 500 7 TYR A 95 -42.46 -131.09
REMARK 500 7 GLN A 128 -133.13 -95.03
REMARK 500 8 SER A 2 94.74 -65.19
REMARK 500 8 ASN A 85 -153.97 -125.85
REMARK 500 8 SER A 90 42.69 -76.32
REMARK 500 8 GLN A 128 -133.76 -95.60
REMARK 500 9 LYS A 88 78.96 -107.90
REMARK 500 9 ASN A 93 147.24 68.79
REMARK 500 9 THR A 97 48.52 -88.89
REMARK 500 9 GLN A 101 -53.63 -125.01
REMARK 500 9 GLN A 128 -135.15 -87.29
REMARK 500 10 ASN A 85 -153.63 -105.96
REMARK 500 10 HIS A 86 38.48 -141.24
REMARK 500 10 LYS A 88 79.71 -108.01
REMARK 500 10 SER A 90 -73.13 71.08
REMARK 500 10 GLN A 128 -153.48 -100.16
REMARK 500 11 ASN A 85 -155.69 -100.23
REMARK 500 11 HIS A 86 39.61 -140.95
REMARK 500 11 GLN A 128 -138.93 -104.33
REMARK 500 12 SER A 2 -40.95 -179.46
REMARK 500 12 SER A 90 -44.00 -151.69
REMARK 500 12 GLN A 128 -128.72 -88.77
REMARK 500 13 SER A 2 -40.98 74.14
REMARK 500 13 GLN A 79 -51.15 -122.91
REMARK 500 13 ILE A 87 112.39 -28.84
REMARK 500 13 VAL A 98 106.61 -59.44
REMARK 500
REMARK 500 THIS ENTRY HAS 74 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1HCI RELATED DB: PDB
REMARK 900 ALPHA-ACTININ-2; FAMILY MEMBER
DBREF 1WLX A 3 129 UNP O43707 ACTN4_HUMAN 519 645
SEQADV 1WLX GLY A 1 UNP O43707 CLONING ARTIFACT
SEQADV 1WLX SER A 2 UNP O43707 CLONING ARTIFACT
SEQRES 1 A 129 GLY SER THR GLU LYS GLN LEU GLU ALA ILE ASP GLN LEU
SEQRES 2 A 129 HIS LEU GLU TYR ALA LYS ARG ALA ALA PRO PHE ASN ASN
SEQRES 3 A 129 TRP MET GLU SER ALA MET GLU ASP LEU GLN ASP MET PHE
SEQRES 4 A 129 ILE VAL HIS THR ILE GLU GLU ILE GLU GLY LEU ILE SER
SEQRES 5 A 129 ALA HIS ASP GLN PHE LYS SER THR LEU PRO ASP ALA ASP
SEQRES 6 A 129 ARG GLU ARG GLU ALA ILE LEU ALA ILE HIS LYS GLU ALA
SEQRES 7 A 129 GLN ARG ILE ALA GLU SER ASN HIS ILE LYS LEU SER GLY
SEQRES 8 A 129 SER ASN PRO TYR THR THR VAL THR PRO GLN ILE ILE ASN
SEQRES 9 A 129 SER LYS TRP GLU LYS VAL GLN GLN LEU VAL PRO LYS ARG
SEQRES 10 A 129 ASP HIS ALA LEU LEU GLU GLU GLN SER LYS GLN GLN
HELIX 1 1 SER A 2 ASP A 37 1 36
HELIX 2 2 THR A 43 ASN A 85 1 43
HELIX 3 3 THR A 99 SER A 126 1 28
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 - r 2 2 Bytes