PDBsum entry 1oao

Ligand/metal interactions

PDB id

1oao


	2 instances of ligand highlighted
	XCC-FOR

Ligands

SF4 ×5

SF4 1676(A)

SF4 1675(B)

SF4 1730(C)

XCC-FOR ×2

XCC 1677(A) to FOR 1678(A)

SO4 ×31

GOL ×8

BCT

_SX

ACT

Metals

FE2 ×2

FE2 1700(A)

_ZN

ZN 1731(C)

_NI ×3

NI 1732(C)

Ligand XCC-FOR

XCC - Fe(4)-Ni(1)-S(4) cluster [C cluster] Formula: Fe₄NiS₄

FOR - Formyl group Formula: CH₂O

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
XCC 1677(A)	9	9	0	0	0	2	0	0	0	0
FOR 1678(A)	2	-	-	-	-	-	-	-	-	-

Advanced Analysis

Residue	Name Mismatches	Count
XCC 1677(A)	FE2: FE1\|FE1: FE2\|FE4: FE3\|FE3: FE4\|S3: S2...	7
FOR 1678(A)	-	0

Additional Information

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

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Het Group FOR corresponds to this enzyme's product CO

LIGPLOT of interactions involving ligand XCC-FOR

List of
interactions

XCC 1677(A) to FOR 1678(A)

(also representing equivalent ligand XCC 1677(B) to FOR 1678(B) )