Header list of 2cry.pdb file
Complete list - r 9 2 Bytes
HEADER IMMUNE SYSTEM 20-MAY-05 2CRY
TITLE SOLUTION STRUCTURE OF THE FIFTH IG-LIKE DOMAIN OF HUMAN KIN OF IRRE
TITLE 2 LIKE 3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIN OF IRRE-LIKE PROTEIN 3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: IG DOMAIN;
COMPND 5 SYNONYM: KIN OF IRREGULAR CHIASM-LIKE PROTEIN 3, NEPHRIN-LIKE 2,
COMPND 6 UNQ5923/PRO4502/PRO19814;
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: KIRREL3, KIAA1867, NEPH2;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040202-89;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS IG FOLD, KIN OF IRREGULAR CHIASM-LIKE PROTEIN 3, NEPHRIN-LIKE 2,
KEYWDS 2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL
KEYWDS 3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, IMMUNE SYSTEM
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.KUROSAKI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CRY 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CRY 1 VERSN
REVDAT 1 20-NOV-05 2CRY 0
JRNL AUTH C.KUROSAKI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FIFTH IG-LIKE DOMAIN OF HUMAN KIN
JRNL TITL 2 OF IRRE LIKE 3
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 2.0.17
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CRY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024555.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.20MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM
REMARK 210 D-DTT; 0.02% NAN3; 90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 900 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9298, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: SPECTOMETER_ID 1 FOR 3D_15N_SEPARATED_NOESY,
REMARK 210 SPECTOMETER_1D 2 FOR 3D_13C_SEPARATED_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: 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 SER A 5 82.87 -68.91
REMARK 500 1 SER A 19 -177.40 -174.80
REMARK 500 1 GLN A 21 46.25 -86.40
REMARK 500 1 THR A 22 177.29 -48.35
REMARK 500 1 HIS A 27 97.32 -43.88
REMARK 500 1 ARG A 38 47.54 -83.13
REMARK 500 1 THR A 40 104.98 -161.29
REMARK 500 1 LYS A 51 -74.59 -106.13
REMARK 500 1 SER A 81 -70.06 -34.56
REMARK 500 1 LEU A 109 97.05 -59.88
REMARK 500 1 GLN A 112 125.73 -38.84
REMARK 500 1 GLU A 115 40.19 -94.76
REMARK 500 1 SER A 117 43.26 -89.21
REMARK 500 2 THR A 8 171.50 -57.58
REMARK 500 2 THR A 22 169.00 -45.98
REMARK 500 2 HIS A 24 49.29 -89.55
REMARK 500 2 ALA A 25 116.22 -36.24
REMARK 500 2 ARG A 38 44.31 -80.16
REMARK 500 2 THR A 40 104.92 -161.00
REMARK 500 2 TRP A 50 -70.80 -103.62
REMARK 500 2 LYS A 51 -75.08 -102.38
REMARK 500 3 SER A 6 117.78 -174.12
REMARK 500 3 THR A 22 -73.50 -35.33
REMARK 500 3 GLN A 23 38.52 38.39
REMARK 500 3 HIS A 27 98.48 -39.61
REMARK 500 3 TRP A 50 -73.35 -97.14
REMARK 500 3 LYS A 51 -67.69 -103.63
REMARK 500 3 MET A 116 98.90 -62.90
REMARK 500 3 PRO A 119 84.67 -69.71
REMARK 500 4 SER A 6 40.68 -85.86
REMARK 500 4 SER A 18 -70.43 -62.14
REMARK 500 4 GLN A 21 47.63 -109.41
REMARK 500 4 THR A 22 175.53 -48.77
REMARK 500 4 HIS A 24 41.97 -81.17
REMARK 500 4 ALA A 25 147.37 -39.43
REMARK 500 4 HIS A 27 84.86 -65.02
REMARK 500 4 GLU A 29 177.99 -53.09
REMARK 500 4 ARG A 38 49.49 -87.45
REMARK 500 4 TRP A 50 -64.57 -109.01
REMARK 500 4 LYS A 51 -73.20 -112.70
REMARK 500 4 ASN A 82 54.10 34.44
REMARK 500 4 LEU A 109 90.16 -68.45
REMARK 500 4 GLU A 111 -176.47 -56.87
REMARK 500 4 SER A 114 127.00 -35.22
REMARK 500 4 MET A 116 140.57 -35.13
REMARK 500 5 SER A 18 -71.35 -60.02
REMARK 500 5 SER A 19 -175.51 -175.35
REMARK 500 5 THR A 22 107.46 -51.78
REMARK 500 5 HIS A 27 98.33 -50.92
REMARK 500 5 ARG A 38 32.31 -93.56
REMARK 500
REMARK 500 THIS ENTRY HAS 214 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002001834 RELATED DB: TARGETDB
DBREF 2CRY A 8 116 UNP Q8IZU9 KIRR3_HUMAN 413 521
SEQADV 2CRY GLY A 1 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 2 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 3 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY GLY A 4 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 5 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 6 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY GLY A 7 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 117 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY GLY A 118 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY PRO A 119 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 120 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY SER A 121 UNP Q8IZU9 CLONING ARTIFACT
SEQADV 2CRY GLY A 122 UNP Q8IZU9 CLONING ARTIFACT
SEQRES 1 A 122 GLY SER SER GLY SER SER GLY THR LEU THR VAL ASN GLY
SEQRES 2 A 122 PRO PRO ILE ILE SER SER THR GLN THR GLN HIS ALA LEU
SEQRES 3 A 122 HIS GLY GLU LYS GLY GLN ILE LYS CYS PHE ILE ARG SER
SEQRES 4 A 122 THR PRO PRO PRO ASP ARG ILE ALA TRP SER TRP LYS GLU
SEQRES 5 A 122 ASN VAL LEU GLU SER GLY THR SER GLY ARG TYR THR VAL
SEQRES 6 A 122 GLU THR ILE SER THR GLU GLU GLY VAL ILE SER THR LEU
SEQRES 7 A 122 THR ILE SER ASN ILE VAL ARG ALA ASP PHE GLN THR ILE
SEQRES 8 A 122 TYR ASN CYS THR ALA TRP ASN SER PHE GLY SER ASP THR
SEQRES 9 A 122 GLU ILE ILE ARG LEU LYS GLU GLN GLY SER GLU MET SER
SEQRES 10 A 122 GLY PRO SER SER GLY
HELIX 1 1 VAL A 84 THR A 90 1 7
SHEET 1 A 5 ILE A 17 THR A 20 0
SHEET 2 A 5 CYS A 35 ILE A 37 -1 O PHE A 36 N SER A 19
SHEET 3 A 5 GLY A 73 THR A 79 -1 O VAL A 74 N ILE A 37
SHEET 4 A 5 TYR A 63 THR A 70 -1 N GLU A 66 O THR A 77
SHEET 5 A 5 GLY A 58 SER A 60 -1 N SER A 60 O TYR A 63
SHEET 1 B 4 VAL A 54 LEU A 55 0
SHEET 2 B 4 ARG A 45 SER A 49 -1 N TRP A 48 O LEU A 55
SHEET 3 B 4 TYR A 92 TRP A 97 -1 O TRP A 97 N ARG A 45
SHEET 4 B 4 SER A 102 ILE A 107 -1 O ILE A 107 N TYR A 92
CISPEP 1 THR A 40 PRO A 41 1 -0.07
CISPEP 2 THR A 40 PRO A 41 2 -0.02
CISPEP 3 THR A 40 PRO A 41 3 -0.08
CISPEP 4 THR A 40 PRO A 41 4 0.02
CISPEP 5 THR A 40 PRO A 41 5 -0.07
CISPEP 6 THR A 40 PRO A 41 6 -0.02
CISPEP 7 THR A 40 PRO A 41 7 -0.07
CISPEP 8 THR A 40 PRO A 41 8 -0.13
CISPEP 9 THR A 40 PRO A 41 9 0.00
CISPEP 10 THR A 40 PRO A 41 10 -0.08
CISPEP 11 THR A 40 PRO A 41 11 -0.06
CISPEP 12 THR A 40 PRO A 41 12 -0.10
CISPEP 13 THR A 40 PRO A 41 13 -0.13
CISPEP 14 THR A 40 PRO A 41 14 -0.04
CISPEP 15 THR A 40 PRO A 41 15 -0.03
CISPEP 16 THR A 40 PRO A 41 16 -0.10
CISPEP 17 THR A 40 PRO A 41 17 -0.12
CISPEP 18 THR A 40 PRO A 41 18 -0.04
CISPEP 19 THR A 40 PRO A 41 19 -0.13
CISPEP 20 THR A 40 PRO A 41 20 -0.07
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 9 2 Bytes