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Summary Geometry Related PDB entries

SF3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE1	S1	sing	2.19Å	2.30Å
FE1	S2	sing	2.19Å	2.35Å
FE1	S3	sing	2.20Å	2.33Å
FE3	S1	sing	2.19Å	2.22Å
FE3	S3	sing	2.19Å	2.22Å
FE4	S2	sing	2.19Å	2.36Å
FE4	S3	sing	2.19Å	2.34Å
FE7	S2	sing	2.19Å	2.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	FE1	S2	116.7°	172.3°
S1	FE1	S3	101.9°	86.1°
FE1	S1	FE3	75.1°	86.3°
S2	FE1	S3	105.3°	86.2°
FE1	S2	FE4	74.4°	86.2°
FE1	S2	FE7	115.3°	90.0°
FE1	S3	FE3	74.5°	86.2°
FE1	S3	FE4	75.0°	86.1°
S1	FE3	S3	108.6°	86.2°
FE3	S3	FE4	112.1°	172.3°
S2	FE4	S3	104.7°	86.2°
FE4	S2	FE7	121.7°	176.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	FE1	S2	S3	112.1°	1.7°
S1	FE1	S3	FE3	1.9°	28.9°
S1	FE1	S2	FE4	106.5°	30.7°
S1	FE1	S3	FE4	116.6°	151.3°
S1	FE1	S2	FE7	11.6°	149.3°
S2	FE1	S1	FE3	116.0°	27.1°
S2	FE1	S3	FE3	124.2°	150.9°
FE1	S2	FE4	FE7	110.4°	0.2°
S2	FE1	S3	FE4	5.6°	28.9°
FE1	S3	FE3	FE4	66.3°	1.6°
S3	FE1	S2	FE7	123.7°	151.1°
S1	FE3	S3	FE4	64.2°	30.5°
FE3	S3	FE4	S2	71.5°	27.3°
S3	FE4	S2	FE7	116.0°	28.7°

219140

PDB entries from 2024-05-01

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