PDBsum entry 3mdb

Ligand/metal interactions

PDB id

3mdb


	Ligand highlighted
	IP9

Ligands

UNX ×11

IP9

IP9 375(C)

Metals

_ZN ×2

ZN 401(C)

Ligand IP9 - (2r)-3-{[(R)-{[(1s,2s,3r,4s,5s,6s)-2,6-Dihydroxy-3,4,5-
Tris(phosphonooxy)cyclohexyl]oxy}(hydroxy) phosphoryl]
oxy}propane -1,2-Diyl dioctanoate
[L-A-Phosphatidyl-D-Myo-Inositol 3,4,5-
Triphosphate, Dioctanoyl; [(2r)-3-[[(2s,3s,5r,6s)-2,6-
Dihydroxy-3,4, 5-Triphosphonooxy-Cyclohexyl]oxy-Hydroxy-
Phosphoryl]oxy-2-Octanoyloxy-Propyl] octanoate]
Formula: C₂₅H₅₀O₂₂P₄

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings
IP9 375(C)	51	28	0	0	23	0

Advanced Analysis

Residue	Name Mismatches	Count
IP9 375(C)	O3P: O1P\|O1P: O2P\|O2P: O3P\|O9P: O8P\|O8P: O9P...	7

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 IP9

List of
interactions

IP9 375(C)