› › 9B0

[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate

9B0 model coordinates provided in the wwPDB chemical component dictionary
[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate in PDB entry 7evo, assembly 1, side view.
[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate in PDB entry 7evo, assembly 1, top view.
Formula: C40 H66 N2 O9
Molecular weight: 719 Da

Environment details NEW

9B0 1500 bound to chain 1
Ligands and residuesInteractions
 hydrophobic
negatively charged
aromatic
polar
cystein
water
positively charged
other
glycine
bound molecule
glycans (SNFG)
aromatic
clashes
covalent
electrostatic
metal hydrophobic
vdw
TYR36VAL37ARG38LEU1066LYS1067LYS1071ARG1074VAL1078VAL1110VAL1114GLU1121PHE1153TYR1157

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The above 2D and 3D (Mol*) views of ligand interactions use quaternary structure derived from the PDB entry.
Please note:
  • Some chain IDs in the tooltip are followed by a number in square brackets. This number corresponds to the operation ID (mmCIF ‘oper_expression’) used to transform the chain.
  • The structure seen in Mol* (3D view) was protonated using ChimeraX.
  • Interactions were calculated using Arpeggio (see details for interaction types).
  • The colour scheme used is consistent with Clustal X.

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EBI resources (9B0)

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