PDBsum entry 6x3c

Ligand/metal interactions

PDB id

6x3c


	6 instances of ligand highlighted
	O7S

Ligands

SXA ×6

SXA 301(A)

SXA 301(B)

O7S ×6

O7S 302(A)

PO4 ×14

SO4 ×4

Metals

_CL ×6

_MG ×2

Ligand O7S - (3r,4r,5e,10e,12e,14s,16r,26ar)-16-Fluoro-14-Hydroxy- 12-
Methyl-3-(Propan-2-Yl)-4-(Prop-2-En-1-Yl)-
3,4,8,9, 14,15,16,17,24,25,26,26a-Dodecahydro-1h,7h,22h-
21,18- (Azeno)pyrrolo[2,1-
C][1,8,4, 19]dioxadiazacyclotetracosine-1,7,22-Trione
Formula: C₃₀H₄₀FN₃O₆

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
O7S 302(A)	40	40	0	0	Complete		Chiral checks - OK

Advanced Analysis

Residue	Name Mismatches	Count
O7S 302(A)	C30: C29\|C29: C30	2

Additional Information

Validation carried out using MotiveValidator. Full validation report can be found in Validator^DB.

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LIGPLOT of interactions involving ligand O7S

List of
interactions

O7S 302(A)

also representing 5 other equivalent ligands:
O7S 302(B)
O7S 302(C)
O7S 401(D)
O7S 302(E)
O7S 302(F)