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Summary Geometry Related PDB entries

FNE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NI	FE	sing	0.00Å	2.97Å
NI	S4	sing	0.00Å	1.96Å
FE	C1	sing	0.00Å	1.85Å
FE	C2	sing	0.00Å	1.86Å
FE	C3	sing	0.00Å	1.83Å
FE	S4	sing	0.00Å	2.23Å
C1	O1	trip	0.00Å	1.11Å
C2	O2	trip	0.00Å	1.13Å
C3	O3	trip	0.00Å	1.13Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE	NI	S4	48.6°	90.0°
NI	FE	C1	137.1°	90.0°
NI	FE	C2	119.2°	90.0°
NI	FE	C3	114.3°	90.0°
NI	FE	S4	41.2°	90.0°
NI	S4	FE	90.1°	90.0°
C1	FE	C2	91.7°	90.0°
C1	FE	C3	92.4°	90.0°
C1	FE	S4	175.8°	90.0°
FE	C1	O1	157.2°	90.0°
C2	FE	C3	90.9°	90.0°
C2	FE	S4	87.1°	90.0°
FE	C2	O2	159.1°	90.0°
C3	FE	S4	91.6°	90.0°
FE	C3	O3	162.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NI	FE	C1	C2	138.6°	90.0°
NI	FE	C1	C3	130.5°	90.0°
NI	FE	C1	S4	64.4°	90.0°
NI	FE	C2	C3	118.6°	90.0°
NI	FE	C2	S4	27.0°	90.0°
NI	FE	C3	S4	35.7°	90.0°
NI	FE	C1	O1	176.2°	90.0°
NI	FE	C2	O2	90.6°	90.0°
NI	FE	C3	O3	10.8°	90.0°
C1	FE	C2	C3	92.4°	90.0°
C1	FE	C2	S4	176.0°	90.0°
C1	FE	C3	S4	178.9°	90.0°
C1	FE	C2	O2	120.4°	90.0°
C1	FE	C3	O3	134.6°	90.0°
C2	FE	C3	S4	87.1°	90.0°
C2	FE	C1	O1	37.7°	90.0°
C2	FE	C3	O3	133.6°	90.0°
C3	FE	C1	O1	53.3°	90.0°
C3	FE	C2	O2	28.0°	90.0°
S4	FE	C1	O1	111.9°	90.0°
S4	FE	C2	O2	63.6°	90.0°
S4	FE	C3	O3	46.5°	90.0°

223166

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