2025-12-20_00000071
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medium
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9HQD
T-Muurolol Synthase from Roseiflexus castenholzii (TmS) in complex with 2,3-DHFPP [P2(1)2(1)2(1)];
X-ray diffraction 1.80Å
Protein #1
334 residues (92% resolved)
Raw Sequence ...
MDQDYRARLVYPFSGAISPHADIVDQATLAWAAMFGLLTDSLRHKSRRLQYGLLAARAYPRADREMLQIAADWIAWLFFMDDQCDETGIGRDLQRMIALHERFLAILDGATPEAHDCALTYALADLRRRLALRAPDNWLRRFSEHVRLYFTANRWETVNRQRGATPNVATYCAARLFSGAVYACFDLIELAEQIELPFYARHHSIVQQLEQAANNIICWCNDVLSYPKEMQHGDRHNLVLVIQGEHQCSLPEAIDRALDLHAREVATFVRKRTCVPYFDAAVNTALEKYVTGLQFWICANRDWSLTATRYAPTHKSQEMVMAVAQQLEHHHHHH
Canonical Sequence ...
MDQDYRARLVYPFSGAISPHADIVDQATLAWAAMFGLLTDSLRHKSRRLQYGLLAARAYPRADREMLQIAADWIAWLFFMDDQCDETGIGRDLQRMIALHERFLAILDGATPEAHDCALTYALADLRRRLALRAPDNWLRRFSEHVRLYFTANRWETVNRQRGATPNVATYCAARLFSGAVYACFDLIELAEQIELPFYARHHSIVQQLEQAANNIICWCNDVLSYPKEMQHGDRHNLVLVIQGEHQCSLPEAIDRALDLHAREVATFVRKRTCVPYFDAAVNTALEKYVTGLQFWICANRDWSLTATRYAPTHKSQEMVMAVAQQLEHHHHHH
Non polymer #2
3E9
InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1
InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1
SMILES: C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
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Model
Reference
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