PDBsum entry 4x1k

Ligand/metal interactions

PDB id

4x1k


	2 instances of ligand highlighted
	3WZ

Ligands

GTP ×2

GTP 600(A)

GDP ×2

GDP 501(B)

LOC ×2

LOC 502(B)

3WZ ×2

3WZ 503(B)

Metals

_MG ×2

MG 601(A)

Ligand 3WZ - 2-Methyl-L-Alanyl-N-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-
{[(1s)-1-Carboxy-2-Phenylethyl]amino}-1-Methoxy-2-
Methyl-3-Oxopropyl]pyrrolidin-1-Yl}-3-Methoxy-5- Methyl-
1-Oxoheptan-4-Yl]-N-Methyl-L-Valinamide
Formula: C₃₇H₆₁N₅O₈

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
3WZ 503(B)	50	50	0	0	Complete		Chiral checks - OK

Advanced Analysis

Residue	Name Mismatches	Count
3WZ 503(B)	O4: O3\|O3: O4	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 3WZ

List of
interactions

3WZ 503(B)

(also representing equivalent ligand 3WZ 503(D) )