NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | type |
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13385 |
1umt   |
cing | 1-original | 1 | comment |
!BIOSYM restraint 1 ! ! These BIOSYM format NMR restraints for recombinant human stromelysin-1 ! catalytic domain are numbered with the first residue (mature N-terminus) ! being residue 1. The pdb ensemble and minimized average structure generated ! from these restraints are renumbered with the mature N-terminus being ! residue 83. The inhibitor bound is numbered starting with residue 167 in ! this restraint file but is numbered from residue 1 of chain B in the PDB ! entries. ! #remote_prochiral_center 1:LEU_15:HD1* 1:LEU_15:HD2* 1:LEU_15:CD1 1:LEU_15:CD2 1:LEU_15:CG 1:LEU_26:HD1* 1:LEU_26:HD2* 1:LEU_26:CD1 1:LEU_26:CD2 1:LEU_26:CG 1:LEU_39:HD1* 1:LEU_39:HD2* 1:LEU_39:CD1 1:LEU_39:CD2 1:LEU_39:CG 1:LEU_48:HD1* 1:LEU_48:HD2* 1:LEU_48:CD1 1:LEU_48:CD2 1:LEU_48:CG 1:LEU_53:HD1* 1:LEU_53:HD2* 1:LEU_53:CD1 1:LEU_53:CD2 1:LEU_53:CG !1:LEU_82:HD1* 1:LEU_82:HD2* 1:LEU_82:CD1 1:LEU_82:CD2 1:LEU_82:CG 1:LEU_113:HD1* 1:LEU_113:HD2* 1:LEU_113:CD1 1:LEU_113:CD2 1:LEU_113:CG 1:LEU_115:HD1* 1:LEU_115:HD2* 1:LEU_115:CD1 1:LEU_115:CD2 1:LEU_115:CG 1:LEU_125:HD1* 1:LEU_125:HD2* 1:LEU_125:CD1 1:LEU_125:CD2 1:LEU_125:CG 1:LEU_127:HD1* 1:LEU_127:HD2* 1:LEU_127:CD1 1:LEU_127:CD2 1:LEU_127:CG 1:LEU_136:HD1* 1:LEU_136:HD2* 1:LEU_136:CD1 1:LEU_136:CD2 1:LEU_136:CG 1:LEU_140:HD1* 1:LEU_140:HD2* 1:LEU_140:CD1 1:LEU_140:CD2 1:LEU_140:CG 1:LEU_144:HD1* 1:LEU_144:HD2* 1:LEU_144:CD1 1:LEU_144:CD2 1:LEU_144:CG 1:LEU_147:HD1* 1:LEU_147:HD2* 1:LEU_147:CD1 1:LEU_147:CD2 1:LEU_147:CG 1:LEU_152:HD1* 1:LEU_152:HD2* 1:LEU_152:CD1 1:LEU_152:CD2 1:LEU_152:CG 1:LEU_163:HD1* 1:LEU_163:HD2* 1:LEU_163:CD1 1:LEU_163:CD2 1:LEU_163:CG 1:VAL_20:HG1* 1:VAL_20:HG2* 1:VAL_20:CG1 1:VAL_20:CG2 1:VAL_20:CB 1:VAL_31:HG1* 1:VAL_31:HG2* 1:VAL_31:CG1 1:VAL_31:CG2 1:VAL_31:CB 1:VAL_35:HG1* 1:VAL_35:HG2* 1:VAL_35:CG1 1:VAL_35:CG2 1:VAL_35:CB 1:VAL_41:HG1* 1:VAL_41:HG2* 1:VAL_41:CG1 1:VAL_41:CG2 1:VAL_41:CB 1:VAL_45:HG1* 1:VAL_45:HG2* 1:VAL_45:CG1 1:VAL_45:CG2 1:VAL_45:CB 1:VAL_66:HG1* 1:VAL_66:HG2* 1:VAL_66:CG1 1:VAL_66:CG2 1:VAL_66:CB 1:VAL_81:HG1* 1:VAL_81:HG2* 1:VAL_81:CG1 1:VAL_81:CG2 1:VAL_81:CB 1:VAL_116:HG1* 1:VAL_116:HG2* 1:VAL_116:CG1 1:VAL_116:CG2 1:VAL_116:CB ! #chiral 1:PHEN_1:CA S 1:ARG_2:CA S 1:THR_3:CA S 1:THR_3:CB R 1:PHE_4:CA S 1:PRO_5:CA S 1:ILE_7:CA S 1:ILE_7:CB S 1:PRO_8:CA S 1:LYS+_9:CA S 1:TRP_10:CA S 1:ARG+_11:CA S 1:LYS+_12:CA S 1:THR_13:CA S 1:THR_13:CB R 1:HIS_14:CA S 1:LEU_15:CA S 1:THR_16:CA S 1:THR_16:CB R 1:TYR_17:CA S 1:ARG+_18:CA S 1:ILE_19:CA S 1:ILE_19:CB S 1:VAL_20:CA S 1:ASN_21:CA S 1:TYR_22:CA S 1:THR_23:CA S 1:THR_23:CB R 1:PRO_24:CA S 1:ASP-_25:CA S 1:LEU_26:CA S 1:PRO_27:CA S 1:LYS+_28:CA S 1:ASP-_29:CA S 1:ALA_30:CA S 1:VAL_31:CA S 1:ASP-_32:CA S 1:SER_33:CA S 1:ALA_34:CA S 1:VAL_35:CA S 1:GLU-_36:CA S 1:LYS+_37:CA S 1:ALA_38:CA S 1:LEU_39:CA S 1:LYS+_40:CA S 1:VAL_41:CA S 1:TRP_42:CA S 1:GLU-_43:CA S 1:GLU-_44:CA S 1:VAL_45:CA S 1:THR_46:CA S 1:THR_46:CB R 1:PRO_47:CA S 1:LEU_48:CA S 1:THR_49:CA S 1:THR_49:CB R 1:PHE_50:CA S 1:SER_51:CA S 1:ARG+_52:CA S 1:LEU_53:CA S 1:TYR_54:CA S 1:GLU-_55:CA S 1:GLU-_57:CA S 1:ALA_58:CA S 1:ASP-_59:CA S 1:ILE_60:CA S 1:ILE_60:CB S 1:MET_61:CA S 1:ILE_62:CA S 1:ILE_62:CB S 1:SER_63:CA S 1:PHE_64:CA S 1:ALA_65:CA S 1:VAL_66:CA S 1:ARG+_67:CA S 1:GLU-_68:CA S 1:HIS_69:CA S 1:ASP-_71:CA S 1:PHE_72:CA S 1:TYR_73:CA S 1:PRO_74:CA S 1:PHE_75:CA S 1:ASP-_76:CA S 1:PRO_78:CA S 1:ASN_80:CA S 1:VAL_81:CA S 1:LEU_82:CA S 1:ALA_83:CA S 1:HIS_84:CA S 1:ALA_85:CA S 1:TYR_86:CA S 1:ALA_87:CA S 1:PRO_88:CA S 1:PRO_90:CA S 1:ILE_92:CA S 1:ILE_92:CB S 1:ASN_93:CA S 1:ASP-_95:CA S 1:ALA_96:CA S 1:HIS_97:CA S 1:PHE_98:CA S 1:ASP-_99:CA S 1:ASP-_100:CA S 1:ASP-_101:CA S 1:GLU-_102:CA S 1:GLN_103:CA S 1:TRP_104:CA S 1:THR_105:CA S 1:THR_105:CB R 1:LYS+_106:CA S 1:ASP-_107:CA S 1:THR_108:CA S 1:THR_108:CB R 1:THR_109:CA S 1:THR_109:CB R 1:THR_111:CA S 1:THR_111:CB R 1:ASN_112:CA S 1:LEU_113:CA S 1:PHE_114:CA S 1:LEU_115:CA S 1:VAL_116:CA S 1:ALA_117:CA S 1:ALA_118:CA S 1:HIS_119:CA S 1:GLU-_120:CA S 1:ILE_121:CA S 1:ILE_121:CB S 1:HIS_123:CA S 1:SER_124:CA S 1:LEU_125:CA S 1:LEU_127:CA S 1:PHE_128:CA S 1:HIS_129:CA S 1:SER_130:CA S 1:ALA_131:CA S 1:ASN_132:CA S 1:THR_133:CA S 1:THR_133:CB R 1:GLU-_134:CA S 1:ALA_135:CA S 1:LEU_136:CA S 1:MET_137:CA S 1:TYR_138:CA S 1:PRO_139:CA S 1:LEU_140:CA S 1:TYR_141:CA S 1:HIS_142:CA S 1:SER_143:CA S 1:LEU_144:CA S 1:THR_145:CA S 1:THR_145:CB R 1:ASP-_146:CA S 1:LEU_147:CA S 1:THR_148:CA S 1:THR_148:CB R 1:ARG+_149:CA S 1:PHE_150:CA S 1:ARG+_151:CA S 1:LEU_152:CA S 1:SER_153:CA S 1:GLN_154:CA S 1:ASP-_155:CA S 1:ASP-_156:CA S 1:ILE_157:CA S 1:ILE_157:CB S 1:ASN_158:CA S 1:ILE_160:CA S 1:ILE_160:CB S 1:GLN_161:CA S 1:SER_162:CA S 1:LEU_163:CA S 1:TYR_164:CA S 1:PRO_166:CA S 1:LEU_171:CA S 1:PHE_172:CA S !
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