data_PB ############################# # Protein Blocks Annotation # ############################# ####################################################################################### # PB encoding by Protein Blocks Expert 2.0 server (http://www.bo-protscience.fr/pbe/) # # Reference: Biophys Rev. 2010 Aug;2(3):137-147. Epub 2010 Aug 5. # # : Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W119-23. # ####################################################################################### save_PB_annotation_1 _PB_list.Sf_category PB_list _PB_list.ID 1 _PB_list.Query_ID db2hz8_10741#A _PB_list.Queried_date 2016-05-02 _PB_list.Input_file_name pdb2hz8.ent _PB_list.Output_file_name bmr7247_PB.str _PB_list.Electronic_address http://bmrbpub.protein.osaka-u.ac.jp/archive/pb/bmr7247_PB.str _PB_list.AA_seq_one_letter_code MDELRELLKAEQQAIKIYKEVLKKAKEGDEQELARLIQEIVKAEKQAVKVYKEAAEKARNPEKRQVIDKILEDEEKHIEWLKAASKQGNAEQFASLVQQILQDEQRHVEEIEKKN _PB_list.PB_seq_code zzmmmmmmmmmmmmmmmmmmmmmmmnopamlmmmmmmmmmmmmmmmmmmmmmmmmmpcbfklmmmmmmmmmmmmmmmmmmmmmmmnopaklmmmmmmmmmmmmmmmmmmmmmmzz _PB_list.PDB_ID 2HZ8 _PB_list.PDBX_exptl_method "SOLUTION NMR" _PB_list.PDBX_NMR_refine_method "1. Step: Classical Molecular dynamics simulation starting from NMR-structure, using non-bonded model for metal-site. 2. step: QM/MM MD for relaxation of local frustrations at the metal site." _PB_list.Entry_ID 7247 loop_ _PB_char.Entity_assembly_ID _PB_char.Assembly_ID _PB_char.Entity_ID _PB_char.Comp_index_ID _PB_char.Comp_ID _PB_char.PDB_model_num _PB_char.PDB_strand_ID _PB_char.PDB_ins_code _PB_char.PDB_residue_no _PB_char.PDB_residue_name _PB_char.PB_code _PB_char.Align _PB_char.Entry_ID _PB_char.PB_list_ID 1 1 1 1 MET . A . 1 MET . 1 7247 1 1 1 1 2 ASP . A . 2 ASP . 1 7247 1 1 1 1 3 GLU . A . 3 GLU m 1 7247 1 1 1 1 4 LEU . A . 4 LEU m 1 7247 1 1 1 1 5 ARG . A . 5 ARG m 1 7247 1 1 1 1 6 GLU . A . 6 GLU m 1 7247 1 1 1 1 7 LEU . A . 7 LEU m 1 7247 1 1 1 1 8 LEU . A . 8 LEU m 1 7247 1 1 1 1 9 LYS . A . 9 LYS m 1 7247 1 1 1 1 10 ALA . A . 10 ALA m 1 7247 1 1 1 1 11 GLU . A . 11 GLU m 1 7247 1 1 1 1 12 GLN . A . 12 GLN m 1 7247 1 1 1 1 13 GLN . A . 13 GLN m 1 7247 1 1 1 1 14 ALA . A . 14 ALA m 1 7247 1 1 1 1 15 ILE . A . 15 ILE m 1 7247 1 1 1 1 16 LYS . A . 16 LYS m 1 7247 1 1 1 1 17 ILE . A . 17 ILE m 1 7247 1 1 1 1 18 TYR . A . 18 TYR m 1 7247 1 1 1 1 19 LYS . A . 19 LYS m 1 7247 1 1 1 1 20 GLU . A . 20 GLU m 1 7247 1 1 1 1 21 VAL . A . 21 VAL m 1 7247 1 1 1 1 22 LEU . A . 22 LEU m 1 7247 1 1 1 1 23 LYS . A . 23 LYS m 1 7247 1 1 1 1 24 LYS . A . 24 LYS m 1 7247 1 1 1 1 25 ALA . A . 25 ALA m 1 7247 1 1 1 1 26 LYS . A . 26 LYS n 1 7247 1 1 1 1 27 GLU . A . 27 GLU o 1 7247 1 1 1 1 28 GLY . A . 28 GLY p 1 7247 1 1 1 1 29 ASP . A . 29 ASP a 1 7247 1 1 1 1 30 GLU . A . 30 GLU m 1 7247 1 1 1 1 31 GLN . A . 31 GLN l 1 7247 1 1 1 1 32 GLU . A . 32 GLU m 1 7247 1 1 1 1 33 LEU . A . 33 LEU m 1 7247 1 1 1 1 34 ALA . A . 34 ALA m 1 7247 1 1 1 1 35 ARG . A . 35 ARG m 1 7247 1 1 1 1 36 LEU . A . 36 LEU m 1 7247 1 1 1 1 37 ILE . A . 37 ILE m 1 7247 1 1 1 1 38 GLN . A . 38 GLN m 1 7247 1 1 1 1 39 GLU . A . 39 GLU m 1 7247 1 1 1 1 40 ILE . A . 40 ILE m 1 7247 1 1 1 1 41 VAL . A . 41 VAL m 1 7247 1 1 1 1 42 LYS . A . 42 LYS m 1 7247 1 1 1 1 43 ALA . A . 43 ALA m 1 7247 1 1 1 1 44 GLU . A . 44 GLU m 1 7247 1 1 1 1 45 LYS . A . 45 LYS m 1 7247 1 1 1 1 46 GLN . A . 46 GLN m 1 7247 1 1 1 1 47 ALA . A . 47 ALA m 1 7247 1 1 1 1 48 VAL . A . 48 VAL m 1 7247 1 1 1 1 49 LYS . A . 49 LYS m 1 7247 1 1 1 1 50 VAL . A . 50 VAL m 1 7247 1 1 1 1 51 TYR . A . 51 TYR m 1 7247 1 1 1 1 52 LYS . A . 52 LYS m 1 7247 1 1 1 1 53 GLU . A . 53 GLU m 1 7247 1 1 1 1 54 ALA . A . 54 ALA m 1 7247 1 1 1 1 55 ALA . A . 55 ALA m 1 7247 1 1 1 1 56 GLU . A . 56 GLU m 1 7247 1 1 1 1 57 LYS . A . 57 LYS p 1 7247 1 1 1 1 58 ALA . A . 58 ALA c 1 7247 1 1 1 1 59 ARG . A . 59 ARG b 1 7247 1 1 1 1 60 ASN . A . 60 ASN f 1 7247 1 1 1 1 61 PRO . A . 61 PRO k 1 7247 1 1 1 1 62 GLU . A . 62 GLU l 1 7247 1 1 1 1 63 LYS . A . 63 LYS m 1 7247 1 1 1 1 64 ARG . A . 64 ARG m 1 7247 1 1 1 1 65 GLN . A . 65 GLN m 1 7247 1 1 1 1 66 VAL . A . 66 VAL m 1 7247 1 1 1 1 67 ILE . A . 67 ILE m 1 7247 1 1 1 1 68 ASP . A . 68 ASP m 1 7247 1 1 1 1 69 LYS . A . 69 LYS m 1 7247 1 1 1 1 70 ILE . A . 70 ILE m 1 7247 1 1 1 1 71 LEU . A . 71 LEU m 1 7247 1 1 1 1 72 GLU . A . 72 GLU m 1 7247 1 1 1 1 73 ASP . A . 73 ASP m 1 7247 1 1 1 1 74 GLU . A . 74 GLU m 1 7247 1 1 1 1 75 GLU . A . 75 GLU m 1 7247 1 1 1 1 76 LYS . A . 76 LYS m 1 7247 1 1 1 1 77 HIS . A . 77 HIS m 1 7247 1 1 1 1 78 ILE . A . 78 ILE m 1 7247 1 1 1 1 79 GLU . A . 79 GLU m 1 7247 1 1 1 1 80 TRP . A . 80 TRP m 1 7247 1 1 1 1 81 LEU . A . 81 LEU m 1 7247 1 1 1 1 82 LYS . A . 82 LYS m 1 7247 1 1 1 1 83 ALA . A . 83 ALA m 1 7247 1 1 1 1 84 ALA . A . 84 ALA m 1 7247 1 1 1 1 85 SER . A . 85 SER m 1 7247 1 1 1 1 86 LYS . A . 86 LYS n 1 7247 1 1 1 1 87 GLN . A . 87 GLN o 1 7247 1 1 1 1 88 GLY . A . 88 GLY p 1 7247 1 1 1 1 89 ASN . A . 89 ASN a 1 7247 1 1 1 1 90 ALA . A . 90 ALA k 1 7247 1 1 1 1 91 GLU . A . 91 GLU l 1 7247 1 1 1 1 92 GLN . A . 92 GLN m 1 7247 1 1 1 1 93 PHE . A . 93 PHE m 1 7247 1 1 1 1 94 ALA . A . 94 ALA m 1 7247 1 1 1 1 95 SER . A . 95 SER m 1 7247 1 1 1 1 96 LEU . A . 96 LEU m 1 7247 1 1 1 1 97 VAL . A . 97 VAL m 1 7247 1 1 1 1 98 GLN . A . 98 GLN m 1 7247 1 1 1 1 99 GLN . A . 99 GLN m 1 7247 1 1 1 1 100 ILE . A . 100 ILE m 1 7247 1 1 1 1 101 LEU . A . 101 LEU m 1 7247 1 1 1 1 102 GLN . A . 102 GLN m 1 7247 1 1 1 1 103 ASP . A . 103 ASP m 1 7247 1 1 1 1 104 GLU . A . 104 GLU m 1 7247 1 1 1 1 105 GLN . A . 105 GLN m 1 7247 1 1 1 1 106 ARG . A . 106 ARG m 1 7247 1 1 1 1 107 HIS . A . 107 HIS m 1 7247 1 1 1 1 108 VAL . A . 108 VAL m 1 7247 1 1 1 1 109 GLU . A . 109 GLU m 1 7247 1 1 1 1 110 GLU . A . 110 GLU m 1 7247 1 1 1 1 111 ILE . A . 111 ILE m 1 7247 1 1 1 1 112 GLU . A . 112 GLU m 1 7247 1 1 1 1 113 LYS . A . 113 LYS m 1 7247 1 1 1 1 114 LYS . A . 114 LYS . 1 7247 1 1 1 1 115 ASN . A . 115 ASN . 1 7247 1 stop_ save_