HEADER TRANSPORT PROTEIN 14-JUL-11 3SWY
TITLE CNGA3 626-672 CONTAINING CLZ DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYCLIC NUCLEOTIDE-GATED CATION CHANNEL ALPHA-3;
COMPND 3 CHAIN: A, B, C;
COMPND 4 FRAGMENT: CLZ DOMAIN (UNP RESIDUES 626-669);
COMPND 5 SYNONYM: CONE PHOTORECEPTOR CGMP-GATED CHANNEL SUBUNIT ALPHA, CYCLIC
COMPND 6 NUCLEOTIDE-GATED CHANNEL ALPHA-3, CNG CHANNEL ALPHA-3, CNG-3, CNG3;
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: CNCG3, CNGA3;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PETM11
KEYWDS COILED-COIL, ASSEMBLY DOMAIN, TRANSPORT PROTEIN
EXPDTA X-RAY DIFFRACTION
AUTHOR N.G.SHUART,Y.HAITIN,S.S.CAMP,K.D.BLACK,W.N.ZAGOTTA
REVDAT 2 13-SEP-23 3SWY 1 SEQADV
REVDAT 1 14-SEP-11 3SWY 0
JRNL AUTH N.G.SHUART,Y.HAITIN,S.S.CAMP,K.D.BLACK,W.N.ZAGOTTA
JRNL TITL MOLECULAR MECHANISM FOR 3:1 SUBUNIT STOICHIOMETRY OF ROD
JRNL TITL 2 CYCLIC NUCLEOTIDE-GATED ION CHANNELS.
JRNL REF NAT COMMUN V. 2 457 2011
JRNL REFN ESSN 2041-1723
JRNL PMID 21878911
JRNL DOI 10.1038/NCOMMS1466
REMARK 2
REMARK 2 RESOLUTION. 1.90 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX 1.7_650
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.22
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 95.6
REMARK 3 NUMBER OF REFLECTIONS : 9704
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.198
REMARK 3 R VALUE (WORKING SET) : 0.197
REMARK 3 FREE R VALUE : 0.224
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.790
REMARK 3 FREE R VALUE TEST SET COUNT : 465
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 29.2205 - 2.7399 0.99 3228 181 0.1938 0.2058
REMARK 3 2 2.7399 - 2.1749 0.99 3157 156 0.1867 0.2250
REMARK 3 3 2.1749 - 1.9000 0.89 2854 128 0.2296 0.3388
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 0.90
REMARK 3 SHRINKAGE RADIUS : 0.61
REMARK 3 K_SOL : 0.40
REMARK 3 B_SOL : 53.86
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.230
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.730
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 27.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.39
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 0.64480
REMARK 3 B22 (A**2) : 6.24060
REMARK 3 B33 (A**2) : 6.05210
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : -8.65590
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.014 1073
REMARK 3 ANGLE : 1.058 1434
REMARK 3 CHIRALITY : 0.084 171
REMARK 3 PLANARITY : 0.004 184
REMARK 3 DIHEDRAL : 16.102 415
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 3
REMARK 3 TLS GROUP : 1
REMARK 3 SELECTION: CHAIN 'A'
REMARK 3 ORIGIN FOR THE GROUP (A): -15.7332 19.6880 43.7732
REMARK 3 T TENSOR
REMARK 3 T11: 0.1139 T22: 0.0633
REMARK 3 T33: 0.1623 T12: 0.0038
REMARK 3 T13: 0.0020 T23: -0.0183
REMARK 3 L TENSOR
REMARK 3 L11: 0.3944 L22: 0.6184
REMARK 3 L33: 0.9767 L12: 0.3278
REMARK 3 L13: 0.4243 L23: -0.1024
REMARK 3 S TENSOR
REMARK 3 S11: -0.1802 S12: -0.0963 S13: 0.2864
REMARK 3 S21: 0.0486 S22: -0.0764 S23: 0.0038
REMARK 3 S31: -0.1614 S32: -0.1052 S33: 0.0551
REMARK 3 TLS GROUP : 2
REMARK 3 SELECTION: CHAIN 'B'
REMARK 3 ORIGIN FOR THE GROUP (A): -11.2205 15.9658 38.3699
REMARK 3 T TENSOR
REMARK 3 T11: 0.1313 T22: 0.1357
REMARK 3 T33: 0.1334 T12: 0.0067
REMARK 3 T13: 0.0190 T23: -0.0061
REMARK 3 L TENSOR
REMARK 3 L11: 0.9130 L22: 0.2797
REMARK 3 L33: 0.7416 L12: 0.2504
REMARK 3 L13: 0.5685 L23: 0.0957
REMARK 3 S TENSOR
REMARK 3 S11: -0.1090 S12: 0.2726 S13: 0.2176
REMARK 3 S21: -0.0282 S22: 0.0068 S23: -0.0448
REMARK 3 S31: 0.0591 S32: 0.1982 S33: 0.0476
REMARK 3 TLS GROUP : 3
REMARK 3 SELECTION: CHAIN 'C'
REMARK 3 ORIGIN FOR THE GROUP (A): -15.8563 11.2700 43.1086
REMARK 3 T TENSOR
REMARK 3 T11: 0.1544 T22: 0.0928
REMARK 3 T33: 0.1159 T12: -0.0340
REMARK 3 T13: -0.0043 T23: 0.0094
REMARK 3 L TENSOR
REMARK 3 L11: 0.8064 L22: 0.3652
REMARK 3 L33: 0.2300 L12: -0.1700
REMARK 3 L13: -0.0733 L23: -0.1132
REMARK 3 S TENSOR
REMARK 3 S11: 0.1163 S12: -0.0763 S13: -0.1406
REMARK 3 S21: -0.0314 S22: -0.0313 S23: 0.0301
REMARK 3 S31: 0.2722 S32: -0.0906 S33: -0.0314
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3SWY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-JUL-11.
REMARK 100 THE DEPOSITION ID IS D_1000066755.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 28-JUL-10
REMARK 200 TEMPERATURE (KELVIN) : 77
REMARK 200 PH : 6.2
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ALS
REMARK 200 BEAMLINE : 8.2.1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0
REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
REMARK 200 DATA SCALING SOFTWARE : SCALA 3.3.15
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10016
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900
REMARK 200 RESOLUTION RANGE LOW (A) : 46.324
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6
REMARK 200 DATA REDUNDANCY : 3.100
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.05000
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.6000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.00
REMARK 200 COMPLETENESS FOR SHELL (%) : 92.0
REMARK 200 DATA REDUNDANCY IN SHELL : 2.10
REMARK 200 R MERGE FOR SHELL (I) : 0.26600
REMARK 200 R SYM FOR SHELL (I) : 0.26600
REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.500
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: PDB ENTRY 1ZVB
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 39.59
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% W/V PEG3350, 200 MM POTASSIUM
REMARK 280 ACETATE, PH 6.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 18.82500
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
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: TRIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 5460 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 8100 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -48.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C
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 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 ASP B 15 CG OD1 OD2
REMARK 470 ARG B 23 CG CD NE CZ NH1 NH2
REMARK 470 GLN B 41 CG CD OE1 NE2
REMARK 470 LYS C 6 CG CD CE NZ
REMARK 470 GLU C 8 CG CD OE1 OE2
REMARK 470 GLN C 9 CG CD OE1 NE2
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 SD MET A 33 O HOH A 86 1.84
REMARK 500 NZ LYS A 36 O HOH A 95 1.85
REMARK 500 O VAL B 46 O HOH B 91 1.97
REMARK 500 O HOH C 99 O HOH C 100 2.04
REMARK 500 O HOH C 81 O HOH C 89 2.15
REMARK 500 CE MET A 33 O HOH A 86 2.16
REMARK 500 O HOH A 68 O HOH A 104 2.17
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 O HOH A 59 O HOH B 70 2557 1.96
REMARK 500 O HOH A 101 O HOH C 85 2557 2.07
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 3SWF RELATED DB: PDB
REMARK 900 CNGA1 621-690 CONTAINING CLZ DOMAIN
DBREF 3SWY A 3 46 UNP Q16281 CNGA3_HUMAN 626 669
DBREF 3SWY B 3 46 UNP Q16281 CNGA3_HUMAN 626 669
DBREF 3SWY C 3 46 UNP Q16281 CNGA3_HUMAN 626 669
SEQADV 3SWY GLY A 1 UNP Q16281 EXPRESSION TAG
SEQADV 3SWY ALA A 2 UNP Q16281 EXPRESSION TAG
SEQADV 3SWY GLY B 1 UNP Q16281 EXPRESSION TAG
SEQADV 3SWY ALA B 2 UNP Q16281 EXPRESSION TAG
SEQADV 3SWY GLY C 1 UNP Q16281 EXPRESSION TAG
SEQADV 3SWY ALA C 2 UNP Q16281 EXPRESSION TAG
SEQRES 1 A 46 GLY ALA LEU GLU GLU LYS VAL GLU GLN LEU GLY SER SER
SEQRES 2 A 46 LEU ASP THR LEU GLN THR ARG PHE ALA ARG LEU LEU ALA
SEQRES 3 A 46 GLU TYR ASN ALA THR GLN MET LYS MET LYS GLN ARG LEU
SEQRES 4 A 46 SER GLN LEU GLU SER GLN VAL
SEQRES 1 B 46 GLY ALA LEU GLU GLU LYS VAL GLU GLN LEU GLY SER SER
SEQRES 2 B 46 LEU ASP THR LEU GLN THR ARG PHE ALA ARG LEU LEU ALA
SEQRES 3 B 46 GLU TYR ASN ALA THR GLN MET LYS MET LYS GLN ARG LEU
SEQRES 4 B 46 SER GLN LEU GLU SER GLN VAL
SEQRES 1 C 46 GLY ALA LEU GLU GLU LYS VAL GLU GLN LEU GLY SER SER
SEQRES 2 C 46 LEU ASP THR LEU GLN THR ARG PHE ALA ARG LEU LEU ALA
SEQRES 3 C 46 GLU TYR ASN ALA THR GLN MET LYS MET LYS GLN ARG LEU
SEQRES 4 C 46 SER GLN LEU GLU SER GLN VAL
FORMUL 4 HOH *115(H2 O)
HELIX 1 1 GLY A 1 VAL A 46 1 46
HELIX 2 2 GLY B 1 VAL B 46 1 46
HELIX 3 3 GLY C 1 VAL C 46 1 46
CRYST1 36.750 37.650 49.580 90.00 110.88 90.00 P 1 21 1 6
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 0.027211 0.000000 0.010380 0.00000
SCALE2 0.000000 0.026560 0.000000 0.00000
SCALE3 0.000000 0.000000 0.021587 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
