Header list of 1eii.pdb file
Complete list - b 16 2 Bytes
HEADER TRANSPORT PROTEIN 25-FEB-00 1EII
TITLE NMR STRUCTURE OF HOLO CELLULAR RETINOL-BINDING PROTEIN II
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CELLULAR RETINOL-BINDING PROTEIN II;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: CRBP-II;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
SOURCE 3 ORGANISM_COMMON: NORWAY RAT;
SOURCE 4 ORGANISM_TAXID: 10116;
SOURCE 5 CELL: SMALL INTESTINAL ENTEROCYTE;
SOURCE 6 CELLULAR_LOCATION: CYTOPLASM;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: JM101;
SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PMON-CRBP II
KEYWDS PROTEIN-LIGAND COMPLEX, BETA BARREL, HELIX-TURN-HELIX, TRANSPORT
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR J.LU,C.L.LIN,C.TANG,J.W.PONDER,J.L.KAO,D.P.CISTOLA,E.LI
REVDAT 3 16-FEB-22 1EII 1 REMARK
REVDAT 2 24-FEB-09 1EII 1 VERSN
REVDAT 1 09-AUG-00 1EII 0
JRNL AUTH J.LU,C.L.LIN,C.TANG,J.W.PONDER,J.L.KAO,D.P.CISTOLA,E.LI
JRNL TITL BINDING OF RETINOL INDUCES CHANGES IN RAT CELLULAR
JRNL TITL 2 RETINOL-BINDING PROTEIN II CONFORMATION AND BACKBONE
JRNL TITL 3 DYNAMICS.
JRNL REF J.MOL.BIOL. V. 300 619 2000
JRNL REFN ISSN 0022-2836
JRNL PMID 10884357
JRNL DOI 10.1006/JMBI.2000.3883
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.LU,C.L.LIN,C.TANG,J.W.PONDER,J.L.KAO,D.P.CISTOLA,E.LI
REMARK 1 TITL THE STRUCTURE AND DYNAMICS OF RAT APO-CELLULAR
REMARK 1 TITL 2 RETINOL-BINDING PROTEIN II IN SOLUTION: COMPARISON WITH THE
REMARK 1 TITL 3 X-RAY STRUCTURE
REMARK 1 REF J.MOL.BIOL. V. 286 1179 1999
REMARK 1 REFN ISSN 0022-2836
REMARK 1 DOI 10.1006/JMBI.1999.2544
REMARK 1 REFERENCE 2
REMARK 1 AUTH N.S.WINTER,J.M.BRATT,L.J.BANASZAK
REMARK 1 TITL CRYSTAL STRUCTURES OF HOLO AND APO-CELLULAR RETINOL-BINDING
REMARK 1 TITL 2 PROTEIN II
REMARK 1 REF J.MOL.BIOL. V. 230 1247 1993
REMARK 1 REFN ISSN 0022-2836
REMARK 1 DOI 10.1006/JMBI.1993.1239
REMARK 1 REFERENCE 3
REMARK 1 AUTH L.BANASZAK,N.WINTER,Z.XU,D.A.BERNLOHR,S.COWAN,T.A.JONES
REMARK 1 TITL LIPID-BINDING PROTEINS: A FAMILY OF FATTY ACID AND RETINOID
REMARK 1 TITL 2 TRANSPORT PROTEINS
REMARK 1 REF ADV.PROTEIN CHEM. V. 45 89 1994
REMARK 1 REFN ISSN 0065-3233
REMARK 1 REFERENCE 4
REMARK 1 AUTH M.E.HODSDON,J.W.PONDER,D.P.CISTOLA
REMARK 1 TITL THE NMR SOLUTION STRUCTURE OF INTESTINAL FATTY ACID-BINDING
REMARK 1 TITL 2 PROTEIN COMPLEXED WITH PALMITATE: APPLICATION OF A NOVEL
REMARK 1 TITL 3 DISTANCE GEOMETRY ALGORITHM
REMARK 1 REF J.MOL.BIOL. V. 264 585 1996
REMARK 1 REFN ISSN 0022-2836
REMARK 1 DOI 10.1006/JMBI.1996.0663
REMARK 1 REFERENCE 5
REMARK 1 AUTH M.E.HODSDON,D.P.CISTOLA
REMARK 1 TITL LIGAND BINDING ALTERS THE BACKBONE MOBILITY OF INTESTINAL
REMARK 1 TITL 2 FATTY ACID-BINDING PROTEIN AS MONITORED BY 15N NMR
REMARK 1 TITL 3 RELAXATION AND 1H EXCHANGE
REMARK 1 REF BIOCHEMISTRY V. 36 2278 1997
REMARK 1 REFN ISSN 0006-2960
REMARK 1 DOI 10.1021/BI962018L
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : TINKER 3.3, TINKER 3.3
REMARK 3 AUTHORS : PONDER (TINKER), PONDER (TINKER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE CALCULATIONS WERE CARRIED
REMARK 3 OUT USING TINKER, A SOFTWARE PACKAGE FOR MOLECULAR MECHANICS AND
REMARK 3 DYNAMICS. THE PROTOCOL EMPLOYS METRIC MATRIX DISTANCE GEOMETRY
REMARK 3 WITH PAIRWISE GAUSSIAN METRIZATION FOLLOWED BY SIMULATED
REMARK 3 ANNEALING. THE UNIQUE DISTANCE GEOMETRY ALGORITHM IMPLEMENTED IN
REMARK 3 TINKER OVERCOMES THE SAMPLING AND SCALING PROBLEMS OF EARLIER
REMARK 3 DISTANCE GEOMETRY METHODS AND IS COMPUTATIONALLY MORE EFFICIENT.
REMARK 4
REMARK 4 1EII COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAR-00.
REMARK 100 THE DEPOSITION ID IS D_1000010608.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 298
REMARK 210 PH : 7.4; 6.5
REMARK 210 IONIC STRENGTH : 0.081; 0.079
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5 MM CELLULAR RETINOL-BINDING
REMARK 210 PROTEIN II U-15N,13C, COMPLEXED WITH ALL-TRANS RETINOL IN 1-TO-1
REMARK 210 MOLAR RATIO; 20 MM PHOSPHATE BUFFER; 1.5 MM CELLULAR RETINOL-
REMARK 210 BINDING PROTEIN II U-15N,13C, COMPLEXED WITH ALL-TRANS RETINOL
REMARK 210 IN 1-TO-1 MOLAR RATIO; 20 MM PHOSPHATE BUFFER; 1.5 MM CELLULAR
REMARK 210 RETINOL-BINDING PROTEIN II U-15N, COMPLEXED WITH ALL-TRANS
REMARK 210 RETINOL IN 1-TO-1 MOLAR RATIO; 20 MM PHOSPHATE BUFFER; 0.2 MM
REMARK 210 CELLULAR RETINOL-BINDING PROTEIN II NATURAL ABUNDANCE, COMPLEXED
REMARK 210 WITH (2,3,6,7,8,9,10,11,19-13C)-ALL-TRANS RETINOL IN 1-TO-1
REMARK 210 MOLAR RATIO; 20 MM PHOSPHATE BUFFER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : DISTANCE GEOMETRY & SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : FINAL PENALTY FUNCTION VALUES
REMARK 210 WITHIN 2 STANDARD DEVIATIONS
REMARK 210 FROM THE MEAN
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 2
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY
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 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 TRP A 9 CE2 TRP A 9 CD2 -0.072
REMARK 500 1 TRP A 89 CG TRP A 89 CD2 -0.107
REMARK 500 1 TRP A 110 CE2 TRP A 110 CD2 -0.080
REMARK 500 2 TRP A 89 CG TRP A 89 CD2 -0.108
REMARK 500 2 TRP A 89 CE2 TRP A 89 CD2 -0.072
REMARK 500 2 TRP A 110 CG TRP A 110 CD2 -0.103
REMARK 500 2 TRP A 110 CE2 TRP A 110 CD2 -0.078
REMARK 500 3 TRP A 9 CE2 TRP A 9 CD2 -0.075
REMARK 500 3 TRP A 89 CG TRP A 89 CD2 -0.109
REMARK 500 3 TRP A 110 CG TRP A 110 CD2 -0.105
REMARK 500 4 TRP A 9 CE2 TRP A 9 CD2 -0.073
REMARK 500 4 TRP A 107 CE2 TRP A 107 CD2 -0.074
REMARK 500 4 TRP A 110 CG TRP A 110 CD2 -0.109
REMARK 500 4 TRP A 110 CE2 TRP A 110 CD2 -0.081
REMARK 500 5 TRP A 9 CE2 TRP A 9 CD2 -0.080
REMARK 500 5 TRP A 89 CG TRP A 89 CD2 -0.107
REMARK 500 6 TRP A 107 CE2 TRP A 107 CD2 -0.075
REMARK 500 7 TRP A 89 CG TRP A 89 CD2 -0.106
REMARK 500 7 TRP A 110 CG TRP A 110 CD2 -0.112
REMARK 500 8 TRP A 9 CE2 TRP A 9 CD2 -0.080
REMARK 500 8 TRP A 89 CG TRP A 89 CD2 -0.112
REMARK 500 8 TRP A 89 CE2 TRP A 89 CD2 -0.075
REMARK 500 8 TRP A 110 CE2 TRP A 110 CD2 -0.073
REMARK 500 9 TRP A 89 CE2 TRP A 89 CD2 -0.073
REMARK 500 9 TRP A 110 CE2 TRP A 110 CD2 -0.078
REMARK 500 10 TRP A 89 CG TRP A 89 CD2 -0.103
REMARK 500 10 TRP A 107 CG TRP A 107 CD2 -0.104
REMARK 500 10 TRP A 107 CE2 TRP A 107 CD2 -0.078
REMARK 500 11 TRP A 9 CE2 TRP A 9 CD2 -0.073
REMARK 500 11 TRP A 89 CG TRP A 89 CD2 -0.108
REMARK 500 11 TRP A 89 CE2 TRP A 89 CD2 -0.073
REMARK 500 11 TRP A 110 CE2 TRP A 110 CD2 -0.078
REMARK 500 12 TRP A 107 CE2 TRP A 107 CD2 -0.075
REMARK 500 12 TRP A 110 CG TRP A 110 CD2 -0.104
REMARK 500 13 TRP A 110 CG TRP A 110 CD2 -0.103
REMARK 500 13 TRP A 110 CE2 TRP A 110 CD2 -0.075
REMARK 500 14 TRP A 110 CG TRP A 110 CD2 -0.103
REMARK 500 15 TRP A 9 CE2 TRP A 9 CD2 -0.081
REMARK 500 15 TRP A 107 CG TRP A 107 CD2 -0.104
REMARK 500 16 TRP A 9 CE2 TRP A 9 CD2 -0.077
REMARK 500 16 TRP A 89 CG TRP A 89 CD2 -0.108
REMARK 500 16 TRP A 89 CE2 TRP A 89 CD2 -0.076
REMARK 500 16 TRP A 107 CE2 TRP A 107 CD2 -0.079
REMARK 500 16 TRP A 110 CG TRP A 110 CD2 -0.103
REMARK 500 17 TRP A 89 CG TRP A 89 CD2 -0.109
REMARK 500 17 TRP A 107 CE2 TRP A 107 CD2 -0.073
REMARK 500 17 TRP A 110 CE2 TRP A 110 CD2 -0.076
REMARK 500 18 TRP A 9 CE2 TRP A 9 CD2 -0.080
REMARK 500 19 TRP A 9 CE2 TRP A 9 CD2 -0.078
REMARK 500 19 TRP A 110 CE2 TRP A 110 CD2 -0.080
REMARK 500
REMARK 500 THIS ENTRY HAS 65 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
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 ASP A 4 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 1 GLY A 7 O - C - N ANGL. DEV. = 12.9 DEGREES
REMARK 500 1 LEU A 37 O - C - N ANGL. DEV. = 10.4 DEGREES
REMARK 500 1 PHE A 50 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 PHE A 58 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 1 ARG A 59 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 PHE A 65 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 VAL A 69 O - C - N ANGL. DEV. = 11.5 DEGREES
REMARK 500 1 TRP A 89 CD1 - CG - CD2 ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 TRP A 89 CG - CD1 - NE1 ANGL. DEV. = -8.1 DEGREES
REMARK 500 1 TRP A 89 CD1 - NE1 - CE2 ANGL. DEV. = 5.9 DEGREES
REMARK 500 1 TRP A 89 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 1 GLY A 91 O - C - N ANGL. DEV. = 10.6 DEGREES
REMARK 500 1 ARG A 105 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 TRP A 107 CD1 - NE1 - CE2 ANGL. DEV. = -9.2 DEGREES
REMARK 500 1 TRP A 110 CD1 - CG - CD2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 1 TRP A 110 CG - CD1 - NE1 ANGL. DEV. = -7.1 DEGREES
REMARK 500 1 TRP A 110 CD2 - CE2 - CZ2 ANGL. DEV. = -7.3 DEGREES
REMARK 500 1 ASP A 114 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 1 PHE A 131 CB - CG - CD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 1 LYS A 132 O - C - N ANGL. DEV. = 11.2 DEGREES
REMARK 500 2 TRP A 9 CD1 - CG - CD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 2 TRP A 9 CE2 - CD2 - CG ANGL. DEV. = 5.5 DEGREES
REMARK 500 2 TYR A 20 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 2 ASP A 27 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES
REMARK 500 2 PHE A 58 CB - CG - CD2 ANGL. DEV. = 5.4 DEGREES
REMARK 500 2 TYR A 61 CB - CG - CD1 ANGL. DEV. = -3.6 DEGREES
REMARK 500 2 TYR A 61 CG - CD1 - CE1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 THR A 75 CA - CB - CG2 ANGL. DEV. = -8.5 DEGREES
REMARK 500 2 TRP A 89 CD1 - CG - CD2 ANGL. DEV. = 8.5 DEGREES
REMARK 500 2 TRP A 89 CG - CD1 - NE1 ANGL. DEV. = -8.3 DEGREES
REMARK 500 2 ARG A 105 NE - CZ - NH2 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 TRP A 107 CD1 - NE1 - CE2 ANGL. DEV. = -7.4 DEGREES
REMARK 500 2 TRP A 110 CD1 - CG - CD2 ANGL. DEV. = 10.4 DEGREES
REMARK 500 2 TRP A 110 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 2 TRP A 110 CE2 - CD2 - CE3 ANGL. DEV. = 7.6 DEGREES
REMARK 500 2 TRP A 110 CE2 - CD2 - CG ANGL. DEV. = -6.4 DEGREES
REMARK 500 3 GLY A 7 O - C - N ANGL. DEV. = 9.7 DEGREES
REMARK 500 3 PHE A 17 CB - CG - CD1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 TYR A 20 CB - CG - CD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 3 ARG A 36 NE - CZ - NH1 ANGL. DEV. = 7.2 DEGREES
REMARK 500 3 ARG A 36 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 3 PHE A 50 CB - CG - CD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 3 PHE A 58 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 3 TYR A 61 CB - CG - CD1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 ASP A 64 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES
REMARK 500 3 PHE A 65 CB - CG - CD1 ANGL. DEV. = -5.9 DEGREES
REMARK 500 3 PHE A 65 CG - CD1 - CE1 ANGL. DEV. = -6.7 DEGREES
REMARK 500 3 TRP A 89 CD1 - CG - CD2 ANGL. DEV. = 7.0 DEGREES
REMARK 500 3 TRP A 89 CG - CD1 - NE1 ANGL. DEV. = -9.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 526 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 THR A 2 44.62 -90.18
REMARK 500 1 LYS A 3 -42.94 -141.23
REMARK 500 1 ASP A 4 72.47 46.91
REMARK 500 1 ASN A 6 85.08 -31.53
REMARK 500 1 TRP A 9 79.95 -167.70
REMARK 500 1 GLU A 10 96.49 -53.85
REMARK 500 1 GLU A 12 -61.08 -92.95
REMARK 500 1 SER A 13 167.65 162.13
REMARK 500 1 GLU A 15 -64.67 -92.57
REMARK 500 1 LEU A 24 87.47 -172.64
REMARK 500 1 ASP A 25 86.54 -56.85
REMARK 500 1 ASP A 27 172.96 179.31
REMARK 500 1 ILE A 42 104.81 -170.66
REMARK 500 1 VAL A 44 99.77 -170.71
REMARK 500 1 ASN A 49 101.99 -161.42
REMARK 500 1 ASP A 64 79.40 32.09
REMARK 500 1 THR A 66 -169.88 -66.75
REMARK 500 1 VAL A 67 78.45 -113.46
REMARK 500 1 GLU A 70 139.03 -31.46
REMARK 500 1 LEU A 78 -75.54 -77.52
REMARK 500 1 LEU A 94 57.16 -163.32
REMARK 500 1 VAL A 95 99.04 -31.18
REMARK 500 1 GLU A 101 -3.29 95.53
REMARK 500 1 LYS A 102 -74.05 -86.75
REMARK 500 1 ASN A 104 34.07 -160.77
REMARK 500 1 ARG A 105 72.56 -114.03
REMARK 500 1 TYR A 117 75.03 -115.06
REMARK 500 1 CYS A 122 77.68 42.37
REMARK 500 1 GLN A 125 66.74 67.14
REMARK 500 1 LYS A 132 130.74 176.79
REMARK 500 1 LYS A 133 -79.84 153.12
REMARK 500 2 THR A 2 -92.07 35.51
REMARK 500 2 LYS A 3 21.09 -158.15
REMARK 500 2 ASP A 4 102.93 -58.51
REMARK 500 2 GLN A 5 -77.31 -65.55
REMARK 500 2 ASN A 6 99.12 2.14
REMARK 500 2 TRP A 9 66.45 -151.65
REMARK 500 2 GLU A 10 91.30 -42.14
REMARK 500 2 GLU A 12 -68.71 -100.89
REMARK 500 2 SER A 13 169.17 171.08
REMARK 500 2 ASN A 16 57.35 -100.85
REMARK 500 2 ASP A 27 158.85 162.71
REMARK 500 2 VAL A 44 51.97 -164.10
REMARK 500 2 ASP A 46 32.24 -152.98
REMARK 500 2 LEU A 63 56.14 -69.08
REMARK 500 2 PHE A 65 139.23 177.83
REMARK 500 2 GLU A 70 128.73 74.47
REMARK 500 2 GLU A 73 -166.85 -68.15
REMARK 500 2 THR A 75 72.32 -105.37
REMARK 500 2 ASP A 79 78.86 43.31
REMARK 500
REMARK 500 THIS ENTRY HAS 784 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RTL A 135
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1B4M RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF APO CELLULAR RETINOL-BINDING PROTEIN II
DBREF 1EII A 1 134 UNP P06768 RET2_RAT 1 134
SEQRES 1 A 134 MET THR LYS ASP GLN ASN GLY THR TRP GLU MET GLU SER
SEQRES 2 A 134 ASN GLU ASN PHE GLU GLY TYR MET LYS ALA LEU ASP ILE
SEQRES 3 A 134 ASP PHE ALA THR ARG LYS ILE ALA VAL ARG LEU THR GLN
SEQRES 4 A 134 THR LYS ILE ILE VAL GLN ASP GLY ASP ASN PHE LYS THR
SEQRES 5 A 134 LYS THR ASN SER THR PHE ARG ASN TYR ASP LEU ASP PHE
SEQRES 6 A 134 THR VAL GLY VAL GLU PHE ASP GLU HIS THR LYS GLY LEU
SEQRES 7 A 134 ASP GLY ARG ASN VAL LYS THR LEU VAL THR TRP GLU GLY
SEQRES 8 A 134 ASN THR LEU VAL CYS VAL GLN LYS GLY GLU LYS GLU ASN
SEQRES 9 A 134 ARG GLY TRP LYS GLN TRP VAL GLU GLY ASP LYS LEU TYR
SEQRES 10 A 134 LEU GLU LEU THR CYS GLY ASP GLN VAL CYS ARG GLN VAL
SEQRES 11 A 134 PHE LYS LYS LYS
HET RTL A 135 51
HETNAM RTL RETINOL
FORMUL 2 RTL C20 H30 O
HELIX 1 1 GLU A 18 ALA A 23 1 6
HELIX 2 2 PHE A 28 ALA A 34 1 7
SHEET 1 B1 4 THR A 8 GLU A 15 0
SHEET 2 B1 4 ARG A 36 ASP A 46 -1 N LYS A 41 O TRP A 9
SHEET 3 B1 4 ASP A 48 SER A 56 -1 O LYS A 51 N VAL A 44
SHEET 4 B1 4 PHE A 58 THR A 66 -1 N PHE A 65 O PHE A 50
SHEET 1 B2 6 GLY A 68 THR A 75 0
SHEET 2 B2 6 ARG A 81 GLU A 90 -1 N THR A 85 O PHE A 71
SHEET 3 B2 6 THR A 93 GLN A 98 -1 N VAL A 95 O THR A 88
SHEET 4 B2 6 ARG A 105 GLU A 112 -1 N GLN A 109 O LEU A 94
SHEET 5 B2 6 LYS A 115 THR A 121 -1 N GLU A 119 O LYS A 108
SHEET 6 B2 6 GLN A 125 LYS A 132 -1 N GLN A 129 O LEU A 118
SITE 1 AC1 11 TYR A 20 GLN A 39 LYS A 41 ILE A 43
SITE 2 AC1 11 THR A 54 SER A 56 ARG A 59 TYR A 61
SITE 3 AC1 11 LEU A 78 TRP A 107 GLN A 109
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 - b 16 2 Bytes