HEADER ELONGATION FACTOR 24-AUG-93 1EFT 1EFT 2 COMPND ELONGATION FACTOR TU (EF-TU) COMPLEXED WITH 1EFT 3 COMPND 2 GUANOSINE-5'-(BETA,GAMMA-IMIDO) TRIPHOSPHATE (GDPNP) 1EFT 4 SOURCE (THERMUS AQUATICUS) 1EFT 5 AUTHOR M.KJELDGAARD,P.NISSEN,S.THIRUP,J.NYBORG 1EFT 6 REVDAT 1 31-AUG-94 1EFT 0 1EFT 7 JRNL AUTH M.KJELDGAARD,P.NISSEN,S.THIRUP,J.NYBORG 1EFT 8 JRNL TITL THE CRYSTAL STRUCTURE OF ELONGATION FACTOR EF-TU 1EFT 9 JRNL TITL 2 FROM THERMUS AQUATICUS IN THE GTP CONFORMATION 1EFT 10 JRNL REF STRUCTURE V. 1 35 1993 1EFT 11 JRNL REFN ASTM UK ISSN 0969-2126 2005 1EFT 12 REMARK 1 1EFT 13 REMARK 2 1EFT 14 REMARK 2 RESOLUTION. 2.5 ANGSTROMS. 1EFT 15 REMARK 3 1EFT 16 REMARK 3 REFINEMENT. 1EFT 17 REMARK 3 PROGRAM X-PLOR 1EFT 18 REMARK 3 AUTHORS BRUNGER 1EFT 19 REMARK 3 R VALUE 0.200 1EFT 20 REMARK 3 RMSD BOND DISTANCES 0.012 ANGSTROMS 1EFT 21 REMARK 3 RMSD BOND ANGLES 1.3 DEGREES 1EFT 22 REMARK 3 1EFT 23 REMARK 3 NUMBER OF REFLECTIONS 18774 1EFT 24 REMARK 3 RESOLUTION RANGE 8.0 - 2.5 ANGSTROMS 1EFT 25 REMARK 3 DATA CUTOFF 0.0 SIGMA(F) 1EFT 26 REMARK 3 PERCENT COMPLETION 94.9 1EFT 27 REMARK 3 1EFT 28 REMARK 3 NUMBER OF PROTEIN ATOMS 3143 1EFT 29 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 32 1EFT 30 REMARK 3 NUMBER OF SOLVENT ATOMS 126 1EFT 31 REMARK 4 1EFT 32 REMARK 4 THIS ENTRY CONTAINS ALL RESIDUES IN THE PROTEIN, 1 - 405, 1EFT 33 REMARK 4 THE GDPNP COFACTOR (A GTP ANALOG), A MAGNESIUM ION, AND 1EFT 34 REMARK 4 126 WATER MOLECULES. 1EFT 35 REMARK 5 1EFT 36 REMARK 5 CROSS REFERENCE TO SEQUENCE DATABASE 1EFT 37 REMARK 5 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1EFT 38 REMARK 5 EFTU_THEAQ 1EFT 39 REMARK 6 1EFT 40 REMARK 6 SEQUENCE ADVISORY NOTICE 1EFT 41 REMARK 6 DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. 1EFT 42 REMARK 6 1EFT 43 REMARK 6 SWISS-PROT ENTRY NAME: EFTU_THEAQ 1EFT 44 REMARK 6 1EFT 45 REMARK 6 SWISS-PROT RESIDUE PDB SEQRES 1EFT 46 REMARK 6 1EFT 47 REMARK 6 NAME NUMBER NAME CHAIN SEQ/INSERT CODE 1EFT 48 REMARK 6 TYR 33 PHE 33 1EFT 49 REMARK 6 ALA 35 THR 35 1EFT 50 REMARK 6 ILE 322 VAL 322 1EFT 51 REMARK 6 THR 336 SER 336 1EFT 52 REMARK 7 1EFT 53 REMARK 7 HET GROUP GNP IS 1EFT 54 REMARK 7 GUANOSINE-5'-(BETA,GAMMMA-IMIDO)TRIPHOSPHATE. 1EFT 55 SEQRES 1 405 ALA LYS GLY GLU PHE ILE ARG THR LYS PRO HIS VAL ASN 1EFT 56 SEQRES 2 405 VAL GLY THR ILE GLY HIS VAL ASP HIS GLY LYS THR THR 1EFT 57 SEQRES 3 405 LEU THR ALA ALA LEU THR PHE VAL THR ALA ALA GLU ASN 1EFT 58 SEQRES 4 405 PRO ASN VAL GLU VAL LYS ASP TYR GLY ASP ILE ASP LYS 1EFT 59 SEQRES 5 405 ALA PRO GLU GLU ARG ALA ARG GLY ILE THR ILE ASN THR 1EFT 60 SEQRES 6 405 ALA HIS VAL GLU TYR GLU THR ALA LYS ARG HIS TYR SER 1EFT 61 SEQRES 7 405 HIS VAL ASP CYS PRO GLY HIS ALA ASP TYR ILE LYS ASN 1EFT 62 SEQRES 8 405 MET ILE THR GLY ALA ALA GLN MET ASP GLY ALA ILE LEU 1EFT 63 SEQRES 9 405 VAL VAL SER ALA ALA ASP GLY PRO MET PRO GLN THR ARG 1EFT 64 SEQRES 10 405 GLU HIS ILE LEU LEU ALA ARG GLN VAL GLY VAL PRO TYR 1EFT 65 SEQRES 11 405 ILE VAL VAL PHE MET ASN LYS VAL ASP MET VAL ASP ASP 1EFT 66 SEQRES 12 405 PRO GLU LEU LEU ASP LEU VAL GLU MET GLU VAL ARG ASP 1EFT 67 SEQRES 13 405 LEU LEU ASN GLN TYR GLU PHE PRO GLY ASP GLU VAL PRO 1EFT 68 SEQRES 14 405 VAL ILE ARG GLY SER ALA LEU LEU ALA LEU GLU GLU MET 1EFT 69 SEQRES 15 405 HIS LYS ASN PRO LYS THR LYS ARG GLY GLU ASN GLU TRP 1EFT 70 SEQRES 16 405 VAL ASP LYS ILE TRP GLU LEU LEU ASP ALA ILE ASP GLU 1EFT 71 SEQRES 17 405 TYR ILE PRO THR PRO VAL ARG ASP VAL ASP LYS PRO PHE 1EFT 72 SEQRES 18 405 LEU MET PRO VAL GLU ASP VAL PHE THR ILE THR GLY ARG 1EFT 73 SEQRES 19 405 GLY THR VAL ALA THR GLY ARG ILE GLU ARG GLY LYS VAL 1EFT 74 SEQRES 20 405 LYS VAL GLY ASP GLU VAL GLU ILE VAL GLY LEU ALA PRO 1EFT 75 SEQRES 21 405 GLU THR ARG LYS THR VAL VAL THR GLY VAL GLU MET HIS 1EFT 76 SEQRES 22 405 ARG LYS THR LEU GLN GLU GLY ILE ALA GLY ASP ASN VAL 1EFT 77 SEQRES 23 405 GLY LEU LEU LEU ARG GLY VAL SER ARG GLU GLU VAL GLU 1EFT 78 SEQRES 24 405 ARG GLY GLN VAL LEU ALA LYS PRO GLY SER ILE THR PRO 1EFT 79 SEQRES 25 405 HIS THR LYS PHE GLU ALA SER VAL TYR VAL LEU LYS LYS 1EFT 80 SEQRES 26 405 GLU GLU GLY GLY ARG HIS THR GLY PHE PHE SER GLY TYR 1EFT 81 SEQRES 27 405 ARG PRO GLN PHE TYR PHE ARG THR THR ASP VAL THR GLY 1EFT 82 SEQRES 28 405 VAL VAL ARG LEU PRO GLN GLY VAL GLU MET VAL MET PRO 1EFT 83 SEQRES 29 405 GLY ASP ASN VAL THR PHE THR VAL GLU LEU ILE LYS PRO 1EFT 84 SEQRES 30 405 VAL ALA LEU GLU GLU GLY LEU ARG PHE ALA ILE ARG GLU 1EFT 85 SEQRES 31 405 GLY GLY ARG THR VAL GLY ALA GLY VAL VAL THR LYS ILE 1EFT 86 SEQRES 32 405 LEU GLU 1EFT 87 HET GNP 406 32 SEE REMARK 7. 1EFT 88 HET MG 407 1 MAGNESIUM ++ 1EFT 89 FORMUL 2 GNP C10 H19 N6 O13 P3 1EFT 90 FORMUL 3 MG MG1 ++ 1EFT 91 FORMUL 4 HOH *126(H2 O1) 1EFT 92 HELIX 1 A LYS 24 GLU 38 1 1EFT 93 HELIX 2 A' TYR 47 ASP 51 1 1EFT 94 HELIX 3 A'' PRO 54 ARG 59 1 1EFT 95 HELIX 4 B ALA 86 GLN 98 1 1EFT 96 HELIX 5 C PRO 114 VAL 126 1 1EFT 97 HELIX 6 D PRO 144 TYR 161 1 1EFT 98 HELIX 7 E ALA 175 LYS 184 1 1EFT 99 HELIX 8 F GLU 194 ASP 207 1 1EFT 100 CRYST1 150.700 99.700 40.200 90.00 95.30 90.00 C 2 4 1EFT 101 ORIGX1 1.000000 0.000000 0.000000 0.00000 1EFT 102 ORIGX2 0.000000 1.000000 0.000000 0.00000 1EFT 103 ORIGX3 0.000000 0.000000 1.000000 0.00000 1EFT 104 SCALE1 0.006636 0.000000 0.000616 0.00000 1EFT 105 SCALE2 0.000000 0.010030 0.000000 0.00000 1EFT 106 SCALE3 0.000000 0.000000 0.024982 0.00000 1EFT 107