Header list of 1und.pdb file
Complete list - r 25 2 Bytes
HEADER ACTIN BINDING 09-SEP-03 1UND TITLE SOLUTION STRUCTURE OF THE HUMAN ADVILLIN C-TERMINAL TITLE 2 HEADPIECE SUBDOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADVILLIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HEADPIECE C-TERMINAL SUBDOMAIN, RESIDUES 784-819; COMPND 5 SYNONYM: P92 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 ORGAN: BRAIN; SOURCE 7 CELL: PERIPHERAL NEURON KEYWDS ACTIN BINDING, F-ACTIN BINDING, CYTOSKELETON, HEADPIECE KEYWDS 2 SUBDOMAIN EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR W.VERMEULEN,M.VAN TROYS,P.VANHAESEBROUCK,M.VERSCHUEREN, AUTHOR 2 F.FANT,C.AMPE,J.MARTINS,F.BORREMANS REVDAT 2 24-FEB-09 1UND 1 VERSN REVDAT 1 15-JUL-04 1UND 0 JRNL AUTH W.VERMEULEN,P.VANHAESEBROUCK,M.VAN TROYS, JRNL AUTH 2 M.VERSCHUEREN,F.FANT,M.GOETHALS,C.AMPE,J.MARTINS, JRNL AUTH 3 F.BORREMANS JRNL TITL SOLUTION STRUCTURES OF THE C-TERMINAL HEADPIECE JRNL TITL 2 SUBDOMAINS OF HUMAN VILLIN AND ADVILLIN, JRNL TITL 3 EVALUATION OF HEADPIECE F-ACTIN-BINDING JRNL TITL 4 REQUIREMENTS JRNL REF PROTEIN SCI. V. 13 1276 2004 JRNL REFN ISSN 0961-8368 JRNL PMID 15096633 JRNL DOI 10.1110/PS.03518104 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : INSIGHT2 REMARK 3 AUTHORS : ACCELRYS REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SIMULATED ANNEALING IN THE AMBER REMARK 3 FORCEFIELD REMARK 4 REMARK 4 1UND COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 10-SEP-03. REMARK 100 THE PDBE ID CODE IS EBI-13460. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 294 REMARK 210 PH : 4.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY, REMARK 210 E.COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 500 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 2D-1H NMR 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 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 1 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 1 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 2 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 2 GLU A 32 CD GLU A 32 OE2 0.113 REMARK 500 3 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 3 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 4 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 4 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 5 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 5 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 6 GLU A 4 CD GLU A 4 OE2 0.113 REMARK 500 6 GLU A 32 CD GLU A 32 OE2 0.113 REMARK 500 7 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 7 GLU A 32 CD GLU A 32 OE2 0.113 REMARK 500 8 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 8 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 9 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 9 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 10 GLU A 4 CD GLU A 4 OE2 0.113 REMARK 500 10 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 11 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 11 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 12 GLU A 4 CD GLU A 4 OE2 0.114 REMARK 500 12 GLU A 32 CD GLU A 32 OE2 0.110 REMARK 500 13 GLU A 4 CD GLU A 4 OE2 0.114 REMARK 500 13 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 14 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 14 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 15 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 15 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 16 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 16 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 17 GLU A 4 CD GLU A 4 OE2 0.110 REMARK 500 17 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 18 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 18 GLU A 32 CD GLU A 32 OE2 0.113 REMARK 500 19 GLU A 4 CD GLU A 4 OE2 0.112 REMARK 500 19 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 20 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 20 GLU A 32 CD GLU A 32 OE2 0.111 REMARK 500 21 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 21 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 22 GLU A 4 CD GLU A 4 OE2 0.114 REMARK 500 22 GLU A 32 CD GLU A 32 OE2 0.110 REMARK 500 23 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 23 GLU A 32 CD GLU A 32 OE2 0.113 REMARK 500 24 GLU A 4 CD GLU A 4 OE2 0.113 REMARK 500 24 GLU A 32 CD GLU A 32 OE2 0.112 REMARK 500 25 GLU A 4 CD GLU A 4 OE2 0.111 REMARK 500 25 GLU A 32 CD GLU A 32 OE2 0.111 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 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 LEU A 2 130.56 -172.70 REMARK 500 1 LEU A 35 31.26 -164.28 REMARK 500 2 SER A 3 151.45 -47.85 REMARK 500 2 LEU A 35 28.78 -158.49 REMARK 500 3 SER A 3 154.97 -49.62 REMARK 500 3 LEU A 35 36.17 -159.30 REMARK 500 4 LEU A 2 130.28 -175.09 REMARK 500 4 LEU A 35 29.82 -165.16 REMARK 500 5 LEU A 2 130.68 -174.24 REMARK 500 5 LEU A 35 41.80 -156.16 REMARK 500 6 LEU A 2 130.58 -170.03 REMARK 500 6 LEU A 35 24.85 -166.14 REMARK 500 7 LEU A 2 85.61 52.88 REMARK 500 7 LEU A 35 42.35 -93.43 REMARK 500 8 LEU A 35 24.91 -158.00 REMARK 500 9 LEU A 2 129.96 -172.29 REMARK 500 9 LEU A 35 27.97 -162.47 REMARK 500 10 ILE A 13 -160.08 -110.46 REMARK 500 10 LEU A 35 24.52 -164.47 REMARK 500 11 LEU A 2 130.08 -174.70 REMARK 500 11 LEU A 35 26.96 -166.72 REMARK 500 12 LEU A 2 85.19 55.25 REMARK 500 12 LEU A 35 42.35 -159.79 REMARK 500 13 LEU A 2 94.41 59.28 REMARK 500 13 LEU A 35 24.64 -167.35 REMARK 500 14 LEU A 2 93.03 58.96 REMARK 500 14 LEU A 35 41.23 -157.87 REMARK 500 15 LEU A 2 129.81 -174.21 REMARK 500 15 LEU A 35 27.76 -170.55 REMARK 500 16 LEU A 2 78.22 55.08 REMARK 500 16 LEU A 35 28.98 -166.37 REMARK 500 17 LEU A 2 117.53 -161.15 REMARK 500 17 LEU A 35 29.28 -160.16 REMARK 500 18 LEU A 35 29.12 -160.63 REMARK 500 19 LEU A 2 130.34 -175.06 REMARK 500 19 LEU A 35 28.10 -158.42 REMARK 500 20 LEU A 2 82.11 54.64 REMARK 500 21 LEU A 2 83.80 54.20 REMARK 500 21 LEU A 35 24.84 -163.19 REMARK 500 22 LEU A 2 130.87 -173.95 REMARK 500 22 LEU A 35 35.02 -166.52 REMARK 500 23 LEU A 2 108.07 60.61 REMARK 500 23 LEU A 35 43.10 -153.42 REMARK 500 24 LEU A 2 130.71 -176.15 REMARK 500 24 LEU A 35 24.11 -156.53 REMARK 500 25 LEU A 2 129.66 -170.29 REMARK 500 25 SER A 3 139.69 -39.56 REMARK 500 25 LEU A 35 40.64 -159.44 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 2 TYR A 1 0.07 SIDE CHAIN REMARK 500 2 PHE A 7 0.09 SIDE CHAIN REMARK 500 4 TYR A 1 0.08 SIDE CHAIN REMARK 500 5 PHE A 7 0.08 SIDE CHAIN REMARK 500 8 PHE A 7 0.09 SIDE CHAIN REMARK 500 9 TYR A 1 0.08 SIDE CHAIN REMARK 500 9 PHE A 7 0.08 SIDE CHAIN REMARK 500 11 TYR A 1 0.08 SIDE CHAIN REMARK 500 11 PHE A 7 0.08 SIDE CHAIN REMARK 500 12 PHE A 7 0.09 SIDE CHAIN REMARK 500 14 PHE A 7 0.10 SIDE CHAIN REMARK 500 15 TYR A 1 0.08 SIDE CHAIN REMARK 500 19 TYR A 1 0.08 SIDE CHAIN REMARK 500 21 PHE A 7 0.08 SIDE CHAIN REMARK 500 23 PHE A 7 0.11 SIDE CHAIN REMARK 500 24 PHE A 7 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1UND A 0 0 PDB 1UND 1UND 0 0 DBREF 1UND A 1 36 UNP O75366 ADVL_HUMAN 784 819 SEQRES 1 A 37 ACE TYR LEU SER GLU GLN ASP PHE VAL SER VAL PHE GLY SEQRES 2 A 37 ILE THR ARG GLY GLN PHE ALA ALA LEU PRO GLY TRP LYS SEQRES 3 A 37 GLN LEU GLN MET LYS LYS GLU LYS GLY LEU PHE HET ACE A 0 6 HETNAM ACE ACETYL GROUP FORMUL 2 ACE C2 H4 O HELIX 1 1 SER A 3 GLY A 12 1 10 HELIX 2 2 THR A 14 LEU A 21 1 8 HELIX 3 3 PRO A 22 LEU A 35 1 14 LINK C ACE A 0 N TYR A 1 1555 1555 1.34 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 25 2 Bytes