Header list of 1rkl.pdb file
Complete list - 2 20 Bytes
HEADER TRANSFERASE 21-NOV-03 1RKL
TITLE NMR STRUCTURE OF YEAST OLIGOSACCHARYLTRANSFERASE SUBUNIT OST4P
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DOLICHYL-DIPHOSPHOOLIGOSACCHARIDE--PROTEIN
COMPND 3 GLYCOSYLTRANSFERASE 4 KDA SUBUNIT;
COMPND 4 CHAIN: A;
COMPND 5 SYNONYM: OLIGOSACCHARYL TRANSFERASE 4 KDA SUBUNIT, OTASE 4 KDA
COMPND 6 SUBUNIT;
COMPND 7 EC: 2.4.1.119;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PEPTIDE OCCURS NATURALLY IN SACCHAROMYCES CEREVISIAE (YEAST).
KEYWDS MEMBRANE PROTEIN, TRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.ZUBKOV,W.J.LENNARZ,S.MOHANTY
REVDAT 3 02-MAR-22 1RKL 1 REMARK
REVDAT 2 24-FEB-09 1RKL 1 VERSN
REVDAT 1 23-MAR-04 1RKL 0
JRNL AUTH S.ZUBKOV,W.J.LENNARZ,S.MOHANTY
JRNL TITL STRUCTURAL BASIS FOR THE FUNCTION OF A MINIMEMBRANE PROTEIN
JRNL TITL 2 SUBUNIT OF YEAST OLIGOSACCHARYLTRANSFERASE
JRNL REF PROC.NATL.ACAD.SCI.USA V. 101 3821 2004
JRNL REFN ISSN 0027-8424
JRNL PMID 15001703
JRNL DOI 10.1073/PNAS.0400512101
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.2, ARIA 1.2
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), LINGE, NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 287 NOE RESTRAINTS, 58 DIHEDRAL ANGLE
REMARK 3 RESTRAINTS, 24 DISTANCE RESTRAINTS FROM HYDROGEN BONDS
REMARK 4
REMARK 4 1RKL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000020840.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 311
REMARK 210 PH : 7.0; 7.0
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM OST4P
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 5.0.4, CYANA 1.0.6
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 500
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 : 14
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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: 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 MET A 1 CG - SD - CE ANGL. DEV. = 11.3 DEGREES
REMARK 500 1 GLN A 6 CA - CB - CG ANGL. DEV. = 15.5 DEGREES
REMARK 500 1 LEU A 10 CA - CB - CG ANGL. DEV. = 14.6 DEGREES
REMARK 500 1 ILE A 12 CA - CB - CG1 ANGL. DEV. = 13.1 DEGREES
REMARK 500 1 THR A 13 CA - CB - CG2 ANGL. DEV. = 20.2 DEGREES
REMARK 500 1 PHE A 14 C - N - CA ANGL. DEV. = 17.9 DEGREES
REMARK 500 1 ILE A 16 CA - CB - CG1 ANGL. DEV. = 18.2 DEGREES
REMARK 500 1 VAL A 17 CG1 - CB - CG2 ANGL. DEV. = -16.2 DEGREES
REMARK 500 1 MET A 18 CA - CB - CG ANGL. DEV. = 13.5 DEGREES
REMARK 500 1 VAL A 23 CG1 - CB - CG2 ANGL. DEV. = -15.6 DEGREES
REMARK 500 1 ILE A 24 CB - CA - C ANGL. DEV. = 12.7 DEGREES
REMARK 500 1 ILE A 24 CA - CB - CG1 ANGL. DEV. = 13.2 DEGREES
REMARK 500 1 TYR A 25 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 1 TYR A 25 CB - CG - CD1 ANGL. DEV. = 6.7 DEGREES
REMARK 500 1 HIS A 26 CA - CB - CG ANGL. DEV. = 16.2 DEGREES
REMARK 500 1 VAL A 28 CA - CB - CG2 ANGL. DEV. = 17.6 DEGREES
REMARK 500 1 THR A 31 CA - CB - CG2 ANGL. DEV. = 11.5 DEGREES
REMARK 500 1 MET A 32 CA - C - N ANGL. DEV. = -13.8 DEGREES
REMARK 500 1 SER A 33 N - CA - CB ANGL. DEV. = -9.2 DEGREES
REMARK 500 1 LYS A 35 CA - CB - CG ANGL. DEV. = 17.4 DEGREES
REMARK 500 1 ASN A 36 N - CA - CB ANGL. DEV. = 15.0 DEGREES
REMARK 500 2 MET A 1 CA - CB - CG ANGL. DEV. = 14.7 DEGREES
REMARK 500 2 ASP A 4 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 2 LEU A 7 CA - CB - CG ANGL. DEV. = 14.0 DEGREES
REMARK 500 2 LEU A 7 CB - CG - CD2 ANGL. DEV. = 11.1 DEGREES
REMARK 500 2 ILE A 12 CA - CB - CG1 ANGL. DEV. = 11.9 DEGREES
REMARK 500 2 THR A 13 CA - CB - CG2 ANGL. DEV. = 22.0 DEGREES
REMARK 500 2 PHE A 14 C - N - CA ANGL. DEV. = 17.3 DEGREES
REMARK 500 2 ILE A 16 CB - CA - C ANGL. DEV. = 13.5 DEGREES
REMARK 500 2 ILE A 16 CA - CB - CG1 ANGL. DEV. = 13.0 DEGREES
REMARK 500 2 VAL A 17 CG1 - CB - CG2 ANGL. DEV. = -16.1 DEGREES
REMARK 500 2 MET A 18 CG - SD - CE ANGL. DEV. = 12.2 DEGREES
REMARK 500 2 MET A 19 CA - CB - CG ANGL. DEV. = 13.9 DEGREES
REMARK 500 2 VAL A 23 CG1 - CB - CG2 ANGL. DEV. = -14.8 DEGREES
REMARK 500 2 VAL A 23 CA - CB - CG2 ANGL. DEV. = 10.2 DEGREES
REMARK 500 2 ILE A 24 CA - CB - CG1 ANGL. DEV. = 13.3 DEGREES
REMARK 500 2 TYR A 25 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 2 TYR A 25 CB - CG - CD1 ANGL. DEV. = 6.7 DEGREES
REMARK 500 2 HIS A 26 CA - CB - CG ANGL. DEV. = 16.4 DEGREES
REMARK 500 2 VAL A 28 CA - CB - CG2 ANGL. DEV. = 17.9 DEGREES
REMARK 500 2 THR A 31 CA - CB - CG2 ANGL. DEV. = 11.5 DEGREES
REMARK 500 2 LYS A 35 CA - CB - CG ANGL. DEV. = 17.6 DEGREES
REMARK 500 2 ASN A 36 C - N - CA ANGL. DEV. = 15.7 DEGREES
REMARK 500 2 ASN A 36 N - CA - CB ANGL. DEV. = 22.7 DEGREES
REMARK 500 3 GLU A 5 CA - CB - CG ANGL. DEV. = 14.4 DEGREES
REMARK 500 3 GLN A 6 CA - CB - CG ANGL. DEV. = 15.2 DEGREES
REMARK 500 3 LEU A 10 CA - CB - CG ANGL. DEV. = 14.9 DEGREES
REMARK 500 3 ILE A 12 CA - CB - CG1 ANGL. DEV. = 11.7 DEGREES
REMARK 500 3 THR A 13 CA - CB - CG2 ANGL. DEV. = 20.4 DEGREES
REMARK 500 3 PHE A 14 C - N - CA ANGL. DEV. = 19.3 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 390 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 SER A 3 -169.40 51.32
REMARK 500 1 GLN A 6 -5.24 -52.08
REMARK 500 1 LEU A 7 -3.69 -57.18
REMARK 500 1 MET A 32 107.79 -49.01
REMARK 500 2 SER A 3 88.72 -66.19
REMARK 500 2 LEU A 7 8.14 -47.82
REMARK 500 2 SER A 33 108.52 -50.76
REMARK 500 3 SER A 3 -76.23 -124.44
REMARK 500 3 LEU A 7 2.91 -63.64
REMARK 500 4 SER A 3 -82.24 -107.72
REMARK 500 4 GLN A 6 17.65 -67.57
REMARK 500 4 LEU A 7 11.90 -67.77
REMARK 500 4 ILE A 12 -60.49 -98.55
REMARK 500 4 VAL A 28 -65.94 -100.08
REMARK 500 4 ASP A 29 -0.97 -58.72
REMARK 500 4 SER A 30 138.79 -31.47
REMARK 500 5 SER A 3 33.26 -72.15
REMARK 500 5 LEU A 7 7.28 -62.93
REMARK 500 6 SER A 3 89.47 -41.25
REMARK 500 6 GLN A 6 23.01 81.60
REMARK 500 6 ILE A 12 -60.70 -95.54
REMARK 500 6 THR A 31 78.36 -56.19
REMARK 500 7 SER A 3 -58.84 -135.62
REMARK 500 7 ILE A 12 -61.36 -99.63
REMARK 500 8 ASP A 4 90.87 -66.85
REMARK 500 8 GLN A 6 -17.32 -44.48
REMARK 500 8 LEU A 7 -0.95 -51.61
REMARK 500 8 ASN A 8 -17.53 -47.30
REMARK 500 8 THR A 31 94.54 -53.60
REMARK 500 9 GLN A 6 -10.38 -49.40
REMARK 500 9 LEU A 7 6.23 -59.34
REMARK 500 9 SER A 30 171.68 -53.49
REMARK 500 10 LEU A 7 5.69 -67.25
REMARK 500 11 SER A 3 38.44 -76.49
REMARK 500 12 SER A 3 172.50 66.60
REMARK 500 12 GLN A 6 7.96 -68.36
REMARK 500 12 LEU A 7 0.45 -56.81
REMARK 500 12 ILE A 12 -60.68 -91.26
REMARK 500 12 VAL A 28 -64.04 -100.71
REMARK 500 12 SER A 30 149.25 -29.61
REMARK 500 12 SER A 33 126.31 -39.31
REMARK 500 13 ASN A 8 -9.24 -54.19
REMARK 500 13 SER A 33 102.06 -32.98
REMARK 500 15 SER A 3 -66.18 -126.65
REMARK 500 15 LEU A 7 9.82 -64.27
REMARK 500 15 VAL A 28 -61.89 -92.60
REMARK 500 15 THR A 31 89.63 -68.04
REMARK 500 16 GLN A 6 -2.07 -47.94
REMARK 500 16 LEU A 7 6.43 -64.00
REMARK 500 16 VAL A 28 -60.07 -101.45
REMARK 500
REMARK 500 THIS ENTRY HAS 63 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 LEU A 7 ASN A 8 1 148.38
REMARK 500 ALA A 11 ILE A 12 1 149.75
REMARK 500 GLY A 15 ILE A 16 1 144.76
REMARK 500 SER A 33 PRO A 34 1 148.52
REMARK 500 LEU A 7 ASN A 8 2 142.03
REMARK 500 SER A 9 LEU A 10 2 149.38
REMARK 500 LYS A 35 ASN A 36 2 133.71
REMARK 500 ALA A 11 ILE A 12 3 146.66
REMARK 500 GLY A 15 ILE A 16 3 144.14
REMARK 500 SER A 9 LEU A 10 4 148.91
REMARK 500 GLY A 15 ILE A 16 4 143.00
REMARK 500 ASP A 29 SER A 30 4 149.74
REMARK 500 LEU A 7 ASN A 8 5 146.04
REMARK 500 SER A 9 LEU A 10 5 148.92
REMARK 500 LEU A 7 ASN A 8 6 148.08
REMARK 500 GLY A 15 ILE A 16 6 143.62
REMARK 500 LEU A 7 ASN A 8 7 147.55
REMARK 500 SER A 9 LEU A 10 7 148.67
REMARK 500 GLY A 15 ILE A 16 7 143.18
REMARK 500 MET A 32 SER A 33 7 146.87
REMARK 500 LEU A 7 ASN A 8 8 143.88
REMARK 500 SER A 9 LEU A 10 8 143.51
REMARK 500 ALA A 11 ILE A 12 8 146.57
REMARK 500 GLY A 15 ILE A 16 8 147.95
REMARK 500 MET A 32 SER A 33 8 145.61
REMARK 500 LEU A 7 ASN A 8 9 145.63
REMARK 500 GLY A 15 ILE A 16 9 142.82
REMARK 500 ASP A 29 SER A 30 9 147.79
REMARK 500 LYS A 35 ASN A 36 9 147.98
REMARK 500 LEU A 7 ASN A 8 10 142.87
REMARK 500 SER A 9 LEU A 10 10 146.49
REMARK 500 ALA A 11 ILE A 12 10 148.22
REMARK 500 GLY A 15 ILE A 16 10 144.92
REMARK 500 SER A 9 LEU A 10 11 149.90
REMARK 500 ALA A 11 ILE A 12 11 148.59
REMARK 500 GLY A 15 ILE A 16 11 145.85
REMARK 500 GLY A 15 ILE A 16 12 144.77
REMARK 500 ASP A 29 SER A 30 12 147.06
REMARK 500 THR A 31 MET A 32 12 -148.26
REMARK 500 LEU A 7 ASN A 8 13 149.49
REMARK 500 GLY A 15 ILE A 16 14 148.18
REMARK 500 MET A 32 SER A 33 14 138.73
REMARK 500 SER A 9 LEU A 10 15 149.64
REMARK 500 GLY A 15 ILE A 16 15 148.45
REMARK 500 MET A 32 SER A 33 15 148.48
REMARK 500 LEU A 7 ASN A 8 16 145.47
REMARK 500 GLY A 15 ILE A 16 16 148.20
REMARK 500 MET A 32 SER A 33 16 140.74
REMARK 500 LEU A 7 ASN A 8 17 143.72
REMARK 500 GLY A 15 ILE A 16 17 144.41
REMARK 500
REMARK 500 THIS ENTRY HAS 58 NON CIS, NON-TRANS OMEGA 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 PHE A 14 0.12 SIDE CHAIN
REMARK 500 1 HIS A 26 0.13 SIDE CHAIN
REMARK 500 2 GLN A 6 0.08 SIDE CHAIN
REMARK 500 2 PHE A 14 0.10 SIDE CHAIN
REMARK 500 2 HIS A 26 0.11 SIDE CHAIN
REMARK 500 3 ASP A 4 0.07 SIDE CHAIN
REMARK 500 3 PHE A 14 0.11 SIDE CHAIN
REMARK 500 3 HIS A 26 0.14 SIDE CHAIN
REMARK 500 4 ASP A 4 0.08 SIDE CHAIN
REMARK 500 4 PHE A 14 0.12 SIDE CHAIN
REMARK 500 4 HIS A 26 0.13 SIDE CHAIN
REMARK 500 5 PHE A 14 0.10 SIDE CHAIN
REMARK 500 5 HIS A 26 0.12 SIDE CHAIN
REMARK 500 6 ASP A 4 0.09 SIDE CHAIN
REMARK 500 6 PHE A 14 0.12 SIDE CHAIN
REMARK 500 6 HIS A 26 0.14 SIDE CHAIN
REMARK 500 7 PHE A 14 0.12 SIDE CHAIN
REMARK 500 7 HIS A 26 0.15 SIDE CHAIN
REMARK 500 8 PHE A 14 0.12 SIDE CHAIN
REMARK 500 8 HIS A 26 0.12 SIDE CHAIN
REMARK 500 9 PHE A 14 0.13 SIDE CHAIN
REMARK 500 9 HIS A 26 0.13 SIDE CHAIN
REMARK 500 10 GLU A 5 0.07 SIDE CHAIN
REMARK 500 10 PHE A 14 0.13 SIDE CHAIN
REMARK 500 10 HIS A 26 0.12 SIDE CHAIN
REMARK 500 11 ASP A 4 0.09 SIDE CHAIN
REMARK 500 11 PHE A 14 0.12 SIDE CHAIN
REMARK 500 11 HIS A 26 0.12 SIDE CHAIN
REMARK 500 12 PHE A 14 0.15 SIDE CHAIN
REMARK 500 12 HIS A 26 0.12 SIDE CHAIN
REMARK 500 12 ASN A 36 0.09 SIDE CHAIN
REMARK 500 13 PHE A 14 0.11 SIDE CHAIN
REMARK 500 13 HIS A 26 0.12 SIDE CHAIN
REMARK 500 13 ASN A 36 0.08 SIDE CHAIN
REMARK 500 14 ASP A 4 0.08 SIDE CHAIN
REMARK 500 14 ASN A 8 0.07 SIDE CHAIN
REMARK 500 14 PHE A 14 0.10 SIDE CHAIN
REMARK 500 14 TYR A 25 0.07 SIDE CHAIN
REMARK 500 14 HIS A 26 0.14 SIDE CHAIN
REMARK 500 14 ASP A 29 0.08 SIDE CHAIN
REMARK 500 15 PHE A 14 0.11 SIDE CHAIN
REMARK 500 15 HIS A 26 0.15 SIDE CHAIN
REMARK 500 16 PHE A 14 0.11 SIDE CHAIN
REMARK 500 16 HIS A 26 0.11 SIDE CHAIN
REMARK 500 16 ASN A 36 0.07 SIDE CHAIN
REMARK 500 17 GLU A 5 0.07 SIDE CHAIN
REMARK 500 17 PHE A 14 0.11 SIDE CHAIN
REMARK 500 17 TYR A 25 0.07 SIDE CHAIN
REMARK 500 17 HIS A 26 0.14 SIDE CHAIN
REMARK 500 18 GLN A 6 0.09 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 58 PLANE DEVIATIONS.
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 1 MET A 1 11.73
REMARK 500 1 SER A 3 13.52
REMARK 500 1 ASP A 4 11.73
REMARK 500 1 GLN A 6 -11.70
REMARK 500 1 LEU A 7 -11.03
REMARK 500 1 ALA A 11 -10.94
REMARK 500 1 ILE A 12 -14.49
REMARK 500 1 THR A 13 -13.52
REMARK 500 1 PHE A 14 -10.35
REMARK 500 1 MET A 18 -11.70
REMARK 500 1 MET A 19 -14.94
REMARK 500 1 LEU A 21 -12.58
REMARK 500 1 TYR A 25 -17.81
REMARK 500 1 ALA A 27 -10.49
REMARK 500 1 MET A 32 14.40
REMARK 500 1 SER A 33 12.57
REMARK 500 1 LYS A 35 -13.28
REMARK 500 2 MET A 1 -14.57
REMARK 500 2 SER A 3 15.67
REMARK 500 2 ASP A 4 14.02
REMARK 500 2 GLN A 6 -10.32
REMARK 500 2 ALA A 11 -12.62
REMARK 500 2 THR A 13 -10.32
REMARK 500 2 ILE A 16 -10.64
REMARK 500 2 MET A 18 -12.06
REMARK 500 2 MET A 19 -16.18
REMARK 500 2 THR A 20 -10.70
REMARK 500 2 TYR A 25 -20.15
REMARK 500 2 ALA A 27 -10.18
REMARK 500 2 PRO A 34 10.47
REMARK 500 2 LYS A 35 13.16
REMARK 500 3 GLN A 6 -14.87
REMARK 500 3 ILE A 12 -12.38
REMARK 500 3 MET A 18 -12.45
REMARK 500 3 MET A 19 -17.18
REMARK 500 3 THR A 20 -10.29
REMARK 500 3 ILE A 24 -11.29
REMARK 500 3 TYR A 25 -18.67
REMARK 500 3 THR A 31 14.23
REMARK 500 3 LYS A 35 11.31
REMARK 500 4 MET A 1 -10.99
REMARK 500 4 ASP A 4 12.29
REMARK 500 4 GLN A 6 -11.36
REMARK 500 4 ALA A 11 -12.59
REMARK 500 4 ILE A 12 -13.61
REMARK 500 4 THR A 13 -13.29
REMARK 500 4 MET A 18 -11.00
REMARK 500 4 MET A 19 -15.84
REMARK 500 4 LEU A 21 -11.76
REMARK 500 4 TYR A 25 -21.17
REMARK 500
REMARK 500 THIS ENTRY HAS 245 MAIN CHAIN PLANARITY DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1RKL A 1 36 UNP Q99380 OST37_YEAST 1 36
SEQRES 1 A 36 MET ILE SER ASP GLU GLN LEU ASN SER LEU ALA ILE THR
SEQRES 2 A 36 PHE GLY ILE VAL MET MET THR LEU ILE VAL ILE TYR HIS
SEQRES 3 A 36 ALA VAL ASP SER THR MET SER PRO LYS ASN
HELIX 1 1 GLU A 5 LEU A 7 5 3
HELIX 2 2 ASN A 8 ASP A 29 1 22
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 - 2 20 Bytes