PDBsum entry 4xrz

Ligand/metal interactions

PDB id

4xrz


	4 instances of ligand highlighted
	HEM-SI6

Ligands

HEM-SI6 ×4

HEM 601(A) to SI6 602(A)

GOL ×4

GOL 606(A)

Metals

_NA ×4

_ZN ×12

Ligand HEM-SI6

HEM - Protoporphyrin IX containing fe [Heme] Formula: C₃₄H₃₂FeN₄O₄

SI6 - (4ar,6r,8as)-8a-(2,4-Difluorophenyl)-6-(1h-Pyrazol-4- Yl)-4,4a,5,6,8,8a-Hexahydropyrano[3,4-D][1,3]thiazin- 2-Amine Formula: C₁₆H₁₆F₂N₄OS

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
HEM 601(A)	43	43	0	0	Complete		Chiral checks - OK
SI6 602(A)	24	24	0	0	Complete		Chiral checks - OK

Advanced Analysis

Residue	Name Mismatches	Count
HEM 601(A)	O2A: O1A\|O1A: O2A\|O2D: O1D\|O1D: O2D	4
SI6 602(A)	-	0

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 HEM-SI6

List of
interactions

HEM 601(A) to SI6 602(A)

also representing 3 other equivalent ligands:
HEM 601(B) to SI6 602(B)
HEM 601(C) to SI6 602(C)
HEM 601(D) to SI6 602(D)