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Summary Geometry Related PDB entries

T2N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	FE1	sing	1.78Å	1.98Å
O1	FE2	sing	1.80Å	1.75Å
O2	FE1	sing	1.83Å	1.61Å
O2	FE3	sing	1.80Å	1.99Å
S2	FE2	sing	2.20Å	2.22Å
S2	FE3	sing	2.22Å	2.18Å
S2	FE4	sing	2.17Å	2.16Å
S3	FE3	sing	2.15Å	2.27Å
S3	FE4	sing	2.20Å	2.19Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE1	O1	FE2	115.9°	121.4°
O1	FE1	O2	105.3°	111.2°
O1	FE2	S2	97.4°	107.0°
FE1	O2	FE3	124.4°	103.3°
O2	FE3	S2	109.9°	123.9°
O2	FE3	S3	121.4°	145.5°
FE2	S2	FE3	108.7°	95.6°
FE2	S2	FE4	103.0°	107.1°
FE3	S2	FE4	74.8°	88.4°
S2	FE3	S3	104.1°	90.5°
S2	FE4	S3	107.4°	90.7°
FE3	S3	FE4	72.6°	89.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	FE1	O2	FE3	2.5°	37.9°
FE1	O1	FE2	S2	80.8°	34.6°
FE2	O1	FE1	O2	72.5°	81.0°
O1	FE2	S2	FE3	25.7°	24.0°
O1	FE2	S2	FE4	52.5°	114.1°
FE1	O2	FE3	S2	42.2°	29.6°
FE1	O2	FE3	S3	79.3°	143.8°
O2	FE3	S2	FE2	24.4°	62.6°
O2	FE3	S2	S3	131.4°	176.3°
O2	FE3	S2	FE4	123.3°	169.7°
O2	FE3	S3	FE4	116.2°	168.0°
FE2	S2	FE3	FE4	98.9°	107.0°
FE2	S2	FE3	S3	107.1°	113.6°
FE2	S2	FE4	S3	114.7°	101.9°
FE3	S2	FE4	S3	8.6°	6.5°

222415

PDB entries from 2024-07-10

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