PDBsum entry 4zgx

Ligand/metal interactions

PDB id

4zgx


	10 instances of ligand highlighted
	HEM-QHC

Ligands

HEM-QHC ×10

HEM 601(A) to QHC 602(A)

HEM ×2

HEM 601(G)

HEM 601(H)

Ligand HEM-QHC

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

QHC - N-[(8r)-4-(4-Chloro-3-Fluorophenyl)-5,6,7,8- Tetrahydroisoquinolin-8-Yl]propanamide Formula: C₁₈H₁₈ClFN₂O

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	0	0	1	0	0	0
QHC 602(A)	23	23	0	0	0	0	0	0	0	0

Advanced Analysis

Residue	Name Mismatches	Count
HEM 601(A)	O2A: O1A\|O1A: O2A	2
QHC 602(A)	-	0

Additional Information

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

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Het Group HEM matches this enzyme's product 18-hydroxycorticosterone with similarity 46.81%

LIGPLOT of interactions involving ligand HEM-QHC

List of
interactions

HEM 601(A) to QHC 602(A)

also representing 9 other equivalent ligands:
HEM 601(B) to QHC 602(B)
HEM 601(C) to QHC 602(C)
HEM 601(D) to QHC 602(D)
HEM 601(E) to QHC 602(E)
HEM 601(F) to QHC 602(F)
HEM 601(I) to QHC 602(I)
HEM 601(J) to QHC 602(J)
HEM 601(K) to QHC 602(K)
HEM 601(L) to QHC 602(L)