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Summary Geometry Related PDB entries

Obsolete: NFB

NFB was replaced with NFO on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NI	O4	sing	2.00Å	1.67Å
FE	C3	sing	1.94Å	1.82Å
FE	C2	sing	1.94Å	2.08Å
FE	C1	sing	1.94Å	1.98Å
FE	O4	sing	1.79Å	2.14Å
C3	O3	doub	1.21Å	1.11Å
C3	H3	sing	1.08Å	1.10Å
C2	N2	trip	1.14Å	1.02Å
O1	C1	doub	1.21Å	1.16Å
C1	H1	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NI	O4	FE	88.9°	106.8°
C3	FE	C2	86.7°	90.0°
C3	FE	C1	92.5°	90.0°
C3	FE	O4	174.7°	179.9°
FE	C3	O3	177.7°	120.0°
FE	C3	H3	176.4°	120.0°
C2	FE	C1	91.6°	180.0°
C2	FE	O4	88.8°	90.0°
FE	C2	N2	176.2°	180.0°
C1	FE	O4	84.8°	90.0°
FE	C1	O1	173.7°	120.1°
FE	C1	H1	171.5°	120.0°
O3	C3	H3	6.0°	120.0°
O1	C1	H1	14.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NI	O4	FE	C3	167.1°	176.6°
NI	O4	FE	C2	135.5°	45.0°
NI	O4	FE	C1	132.7°	135.1°
C3	FE	C2	C1	92.5°	71.9°
C3	FE	C2	O4	177.2°	180.0°
C3	FE	C1	O4	175.4°	180.0°
FE	C3	O3	H3	180.0°	180.0°
C3	FE	C2	N2	71.1°	127.3°
C3	FE	C1	O1	168.8°	44.9°
C3	FE	C1	H1	11.2°	135.1°
C2	FE	C1	O4	88.6°	108.1°
C2	FE	C3	O3	8.0°	45.0°
C2	FE	C3	H3	172.0°	135.0°
C2	FE	C1	O1	82.0°	27.0°
C2	FE	C1	H1	98.1°	153.0°
C1	FE	C3	O3	83.5°	135.0°
C1	FE	C3	H3	96.5°	45.1°
C1	FE	C2	N2	163.5°	160.8°
FE	C1	O1	H1	180.0°	180.0°
O4	FE	C3	O3	23.6°	93.4°
O4	FE	C3	H3	156.4°	86.6°
O4	FE	C2	N2	111.7°	52.8°
O4	FE	C1	O1	6.6°	135.0°
O4	FE	C1	H1	173.3°	45.0°

223532

PDB entries from 2024-08-07

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