2024-12-14_00000465
|
ligand
|
9GZJ
Crystal structure of the L. monocytogenes RmlT in complex with 3-RboP-(CH2)6NH2;
X-ray diffraction 2.34Å
Protein #1
624 residues (97% resolved)
Raw Sequence ...
GMRNLKDRVLNSLKGNKKDIKISVVVPTYNTELEGLKNLMASIDKQTMNPDEYELVFVDDGSTTDTYERLQEFAETRPNMTVKQIENSGWGSRPRNIATKMAKGEYILYLDHDDTVFPETFERVYNFGKENNLDVVSGKEVRTNGWSWGWKQFSENNPHAEEMGIECLLPMTPHKFYKREFLLENDITFDDGARVLWEDVYFNSKAFIHGAKVGILADYPTYYWIATGANNSSSFGRDPHEKWNQINKLFNFFKDNIKEQRDLDFMLTHWYRSRVLGILGQWLLKNNNERIDIEFNYAKKLAEELIPAYISENLDKNNQVKDYLLRQGDLDSLKKLAQIDAGITALSYVEDAYFKEDKLFFKTSTKMTYEDKEDFFIEKTADRMERILPEEIKSKLPKEFFDYSDDLAEFTYEPSIKGRNSRATWKIDGSTSNVEVVNKKANLYKIEGEMSFSVQINDYILDAADKKQPWDIATRFTGLGYTSHRALTIGKILIKTALINNKTMIVYKNASGLISLDVGSSVRSIVEDSGVKREQILIDKTSGKVTIPLNEIHVFGESLIEGNAELKPVGISDADPINVKAKLIGEANKARVEVLLGDEKLSGEYHLVTNIQGKKDKQQIKITL
Canonical Sequence ...
GMRNLKDRVLNSLKGNKKDIKISVVVPTYNTELEGLKNLMASIDKQTMNPDEYELVFVDDGSTTDTYERLQEFAETRPNMTVKQIENSGWGSRPRNIATKMAKGEYILYLDHDDTVFPETFERVYNFGKENNLDVVSGKEVRTNGWSWGWKQFSENNPHAEEMGIECLLPMTPHKFYKREFLLENDITFDDGARVLWEDVYFNSKAFIHGAKVGILADYPTYYWIATGANNSSSFGRDPHEKWNQINKLFNFFKDNIKEQRDLDFMLTHWYRSRVLGILGQWLLKNNNERIDIEFNYAKKLAEELIPAYISENLDKNNQVKDYLLRQGDLDSLKKLAQIDAGITALSYVEDAYFKEDKLFFKTSTKMTYEDKEDFFIEKTADRMERILPEEIKSKLPKEFFDYSDDLAEFTYEPSIKGRNSRATWKIDGSTSNVEVVNKKANLYKIEGEMSFSVQINDYILDAADKKQPWDIATRFTGLGYTSHRALTIGKILIKTALINNKTMIVYKNASGLISLDVGSSVRSIVEDSGVKREQILIDKTSGKVTIPLNEIHVFGESLIEGNAELKPVGISDADPINVKAKLIGEANKARVEVLLGDEKLSGEYHLVTNIQGKKDKQQIKITL
Non polymer #2
A1IRZ
InChI=1S/C21H48NO22P3/c22-5-3-1-2-4-6-39-45(33,34)40-9-15(26)20(31)16(27)10-43-47(37,38)44-12-18(29)21(32)17(28)11-42-46(35,36)41-8-14(25)19(30)13(24)7-23/h13-21,23-32H,1-12,22H2,(H,33,34)(H,35,36)(H,37,38)/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m0/s1
InChI=1S/C21H48NO22P3/c22-5-3-1-2-4-6-39-45(33,34)40-9-15(26)20(31)16(27)10-43-47(37,38)44-12-18(29)21(32)17(28)11-42-46(35,36)41-8-14(25)19(30)13(24)7-23/h13-21,23-32H,1-12,22H2,(H,33,34)(H,35,36)(H,37,38)/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m0/s1
SMILES: C(CCCOP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)CCN
C(CCCOP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)CCN
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%