Header list of 1yx4.pdb file
Complete list - r 2 2 Bytes
HEADER HYDROLASE 19-FEB-05 1YX4
TITLE STRUCTURE OF S5A BOUND TO MONOUBIQUITIN PROVIDES A MODEL FOR
TITLE 2 POLYUBIQUITIN RECOGNITION
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 26S PROTEASOME NON-ATPASE REGULATORY SUBUNIT 4;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: (POLY)UBIQUITIN BINDING REGION;
COMPND 5 SYNONYM: 26S PROTEASOME REGULATORY SUBUNIT S5A, RPN10, MULTIUBIQUITIN
COMPND 6 CHAIN BINDING PROTEIN, ANTISECRETORY FACTOR-1, AF, ASF;
COMPND 7 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: PSMD4, MCB1;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET
KEYWDS POLYUBIQUITIN, PROTEASOME, S5A, UIM, HYDROLASE
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR Q.WANG,P.YOUNG,K.J.WALTERS
REVDAT 3 02-MAR-22 1YX4 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1YX4 1 VERSN
REVDAT 1 19-APR-05 1YX4 0
JRNL AUTH Q.WANG,P.YOUNG,K.J.WALTERS
JRNL TITL STRUCTURE OF S5A BOUND TO MONOUBIQUITIN PROVIDES A MODEL FOR
JRNL TITL 2 POLYUBIQUITIN RECOGNITION
JRNL REF J.MOL.BIOL. V. 348 727 2005
JRNL REFN ISSN 0022-2836
JRNL PMID 15826667
JRNL DOI 10.1016/J.JMB.2005.03.007
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851, X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YX4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032022.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 283
REMARK 210 PH : 6.5; 6.5
REMARK 210 IONIC STRENGTH : 100 MM NACL; 100 MM NACL
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 0.35 MM S5A U-15N, 13C; 1 MM S5A
REMARK 210 U-15N; 0.5 MM S5A UNLABELED; 0.5
REMARK 210 MM S5A U-N15 AND 50% DEUTERATED;
REMARK 210 1 MM S5A U-C13
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 15
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
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 : 10
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 1-15
REMARK 465 RES C SSSEQI
REMARK 465 MET A -19
REMARK 465 GLY A -18
REMARK 465 HIS A -17
REMARK 465 HIS A -16
REMARK 465 HIS A -15
REMARK 465 HIS A -14
REMARK 465 HIS A -13
REMARK 465 HIS A -12
REMARK 465 HIS A -11
REMARK 465 HIS A -10
REMARK 465 HIS A -9
REMARK 465 HIS A -8
REMARK 465 SER A -7
REMARK 465 SER A -6
REMARK 465 GLY A -5
REMARK 465 HIS A -4
REMARK 465 ILE A -3
REMARK 465 GLU A -2
REMARK 465 GLY A -1
REMARK 465 ARG A 0
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 LEU A 5 33.27 -151.52
REMARK 500 1 GLU A 11 58.63 -92.72
REMARK 500 1 VAL A 14 -40.34 -139.67
REMARK 500 1 GLU A 51 79.07 52.39
REMARK 500 1 THR A 59 55.63 -90.36
REMARK 500 1 GLU A 60 57.33 -91.50
REMARK 500 1 SER A 62 72.38 -117.56
REMARK 500 1 LEU A 81 111.76 -175.53
REMARK 500 1 SER A 86 41.15 -96.18
REMARK 500 1 GLN A 102 71.17 -112.40
REMARK 500 1 ALA A 104 103.70 -166.98
REMARK 500 1 PHE A 106 -60.18 -144.92
REMARK 500 1 GLN A 108 58.40 -102.14
REMARK 500 2 GLU A 11 34.69 -159.43
REMARK 500 2 PHE A 12 -43.68 -161.74
REMARK 500 2 PRO A 16 78.35 -61.33
REMARK 500 2 SER A 17 47.30 70.28
REMARK 500 2 ALA A 18 27.27 44.64
REMARK 500 2 ASP A 19 119.06 -169.44
REMARK 500 2 THR A 56 44.58 -167.15
REMARK 500 2 ASP A 61 97.22 -56.45
REMARK 500 2 SER A 62 79.54 -50.74
REMARK 500 2 LEU A 81 112.33 -180.00
REMARK 500 2 ASP A 83 74.77 52.45
REMARK 500 2 SER A 86 43.94 -94.06
REMARK 500 2 THR A 88 -177.93 -60.45
REMARK 500 2 LEU A 101 33.00 -94.67
REMARK 500 2 GLN A 102 35.20 -167.13
REMARK 500 2 ALA A 104 111.21 -168.08
REMARK 500 2 PHE A 106 -71.43 -118.43
REMARK 500 2 GLN A 108 56.89 -104.47
REMARK 500 2 SER A 111 31.45 -147.49
REMARK 500 3 ALA A 7 114.37 -161.71
REMARK 500 3 ASP A 15 167.52 -47.69
REMARK 500 3 ASP A 19 119.83 -168.72
REMARK 500 3 THR A 59 73.17 -112.00
REMARK 500 3 GLU A 105 54.61 -151.73
REMARK 500 3 PHE A 106 -69.58 -96.80
REMARK 500 3 GLN A 108 60.43 -116.97
REMARK 500 3 ALA A 109 -51.33 -166.91
REMARK 500 4 MET A 2 -47.15 -157.36
REMARK 500 4 LEU A 3 33.23 79.39
REMARK 500 4 PHE A 10 44.78 -171.45
REMARK 500 4 PHE A 12 -61.52 -166.26
REMARK 500 4 GLU A 51 -67.94 -97.01
REMARK 500 4 GLU A 60 78.49 -159.66
REMARK 500 4 ASP A 83 90.22 53.31
REMARK 500 4 LEU A 101 46.21 -93.90
REMARK 500 4 GLN A 102 -70.53 -165.36
REMARK 500 4 GLU A 105 -136.04 -97.14
REMARK 500
REMARK 500 THIS ENTRY HAS 207 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 27 0.29 SIDE CHAIN
REMARK 500 1 ARG A 34 0.24 SIDE CHAIN
REMARK 500 1 ARG A 36 0.26 SIDE CHAIN
REMARK 500 1 ARG A 42 0.32 SIDE CHAIN
REMARK 500 1 ARG A 43 0.20 SIDE CHAIN
REMARK 500 1 ARG A 78 0.29 SIDE CHAIN
REMARK 500 2 ARG A 27 0.31 SIDE CHAIN
REMARK 500 2 ARG A 34 0.24 SIDE CHAIN
REMARK 500 2 ARG A 36 0.30 SIDE CHAIN
REMARK 500 2 ARG A 42 0.29 SIDE CHAIN
REMARK 500 2 ARG A 43 0.28 SIDE CHAIN
REMARK 500 2 ARG A 78 0.22 SIDE CHAIN
REMARK 500 3 ARG A 27 0.25 SIDE CHAIN
REMARK 500 3 ARG A 34 0.21 SIDE CHAIN
REMARK 500 3 ARG A 36 0.26 SIDE CHAIN
REMARK 500 3 ARG A 42 0.21 SIDE CHAIN
REMARK 500 3 ARG A 43 0.32 SIDE CHAIN
REMARK 500 3 ARG A 78 0.21 SIDE CHAIN
REMARK 500 4 ARG A 27 0.23 SIDE CHAIN
REMARK 500 4 ARG A 34 0.26 SIDE CHAIN
REMARK 500 4 ARG A 36 0.31 SIDE CHAIN
REMARK 500 4 ARG A 42 0.23 SIDE CHAIN
REMARK 500 4 ARG A 43 0.30 SIDE CHAIN
REMARK 500 4 ARG A 78 0.23 SIDE CHAIN
REMARK 500 5 ARG A 27 0.22 SIDE CHAIN
REMARK 500 5 ARG A 34 0.23 SIDE CHAIN
REMARK 500 5 ARG A 36 0.29 SIDE CHAIN
REMARK 500 5 ARG A 42 0.25 SIDE CHAIN
REMARK 500 5 ARG A 43 0.24 SIDE CHAIN
REMARK 500 5 ARG A 78 0.30 SIDE CHAIN
REMARK 500 6 ARG A 27 0.24 SIDE CHAIN
REMARK 500 6 ARG A 34 0.28 SIDE CHAIN
REMARK 500 6 ARG A 36 0.23 SIDE CHAIN
REMARK 500 6 ARG A 42 0.26 SIDE CHAIN
REMARK 500 6 ARG A 43 0.27 SIDE CHAIN
REMARK 500 6 ARG A 78 0.21 SIDE CHAIN
REMARK 500 7 ARG A 27 0.23 SIDE CHAIN
REMARK 500 7 ARG A 34 0.28 SIDE CHAIN
REMARK 500 7 ARG A 36 0.30 SIDE CHAIN
REMARK 500 7 ARG A 42 0.21 SIDE CHAIN
REMARK 500 7 ARG A 43 0.26 SIDE CHAIN
REMARK 500 7 ARG A 78 0.32 SIDE CHAIN
REMARK 500 8 ARG A 27 0.28 SIDE CHAIN
REMARK 500 8 ARG A 34 0.29 SIDE CHAIN
REMARK 500 8 ARG A 36 0.22 SIDE CHAIN
REMARK 500 8 ARG A 42 0.28 SIDE CHAIN
REMARK 500 8 ARG A 43 0.24 SIDE CHAIN
REMARK 500 8 ARG A 78 0.23 SIDE CHAIN
REMARK 500 9 ARG A 27 0.27 SIDE CHAIN
REMARK 500 9 ARG A 34 0.22 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 90 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1D3Z RELATED DB: PDB
REMARK 900 UBIQUITIN
REMARK 900 RELATED ID: 1TBE RELATED DB: PDB
REMARK 900 TETRA-UBIQUITIN
DBREF 1YX4 A -2 112 UNP P55036 PSD4_HUMAN 192 306
SEQADV 1YX4 MET A -19 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 GLY A -18 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 HIS A -17 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -16 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -15 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -14 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -13 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -12 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -11 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -10 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -9 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 HIS A -8 UNP P55036 EXPRESSION TAG
SEQADV 1YX4 SER A -7 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 SER A -6 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 GLY A -5 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 HIS A -4 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 ILE A -3 UNP P55036 CLONING ARTIFACT
SEQADV 1YX4 ARG A 0 UNP P55036 GLY 194 CLONING ARTIFACT
SEQADV 1YX4 HIS A 1 UNP P55036 ALA 195 CLONING ARTIFACT
SEQRES 1 A 132 MET GLY HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS SER
SEQRES 2 A 132 SER GLY HIS ILE GLU GLY ARG HIS MET LEU GLY LEU GLY
SEQRES 3 A 132 ALA SER ASP PHE GLU PHE GLY VAL ASP PRO SER ALA ASP
SEQRES 4 A 132 PRO GLU LEU ALA LEU ALA LEU ARG VAL SER MET GLU GLU
SEQRES 5 A 132 GLN ARG GLN ARG GLN GLU GLU GLU ALA ARG ARG ALA ALA
SEQRES 6 A 132 ALA ALA SER ALA ALA GLU ALA GLY ILE ALA THR THR GLY
SEQRES 7 A 132 THR GLU ASP SER ASP ASP ALA LEU LEU LYS MET THR ILE
SEQRES 8 A 132 SER GLN GLN GLU PHE GLY ARG THR GLY LEU PRO ASP LEU
SEQRES 9 A 132 SER SER MET THR GLU GLU GLU GLN ILE ALA TYR ALA MET
SEQRES 10 A 132 GLN MET SER LEU GLN GLY ALA GLU PHE GLY GLN ALA GLU
SEQRES 11 A 132 SER ALA
HELIX 1 1 PRO A 16 ALA A 18 5 3
HELIX 2 2 PRO A 20 GLU A 51 1 32
HELIX 3 3 ASP A 63 GLU A 75 1 13
HELIX 4 4 GLU A 89 SER A 100 1 12
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