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Summary Geometry Related PDB entries

9FE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR	C07	sing	1.89Å	1.91Å
C07	N09	doub	1.30Å	1.32Å	Aromatic
C07	C06	sing	1.46Å	1.44Å	Aromatic
N09	N10	sing	1.40Å	1.30Å	Aromatic
C06	C05	sing	1.40Å	1.39Å	Aromatic
C06	C11	doub	1.41Å	1.41Å	Aromatic
C05	C04	doub	1.39Å	1.40Å	Aromatic
O01	C02	doub	1.21Å	1.26Å
N10	C11	sing	1.37Å	1.35Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C04	C02	sing	1.48Å	1.51Å
C04	C13	sing	1.40Å	1.40Å	Aromatic
C02	O03	sing	1.35Å	1.25Å
C12	C13	doub	1.36Å	1.40Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
O03	H2	sing	0.97Å	0.95Å
C05	H3	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
N10	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR	C07	N09	126.6°	126.2°
BR	C07	C06	126.3°	126.1°
N09	C07	C06	107.2°	107.7°
C07	N09	N10	110.8°	110.1°
C07	C06	C05	135.6°	133.9°
C07	C06	C11	104.4°	106.3°
N09	N10	C11	110.8°	109.2°
N09	N10	H4	124.6°	125.4°
C05	C06	C11	120.0°	119.8°
C06	C05	C04	119.3°	119.4°
C06	C05	H3	120.3°	120.3°
C06	C11	N10	106.9°	106.7°
C06	C11	C12	120.4°	119.8°
C05	C04	C02	119.5°	119.9°
C05	C04	C13	121.1°	120.2°
C04	C05	H3	120.3°	120.3°
O01	C02	C04	119.7°	120.0°
O01	C02	O03	121.0°	120.1°
N10	C11	C12	132.8°	133.5°
C11	N10	H4	124.6°	125.4°
C11	C12	C13	119.7°	120.2°
C11	C12	H5	120.1°	119.9°
C02	C04	C13	119.4°	119.9°
C04	C02	O03	119.3°	120.0°
C04	C13	C12	119.4°	120.6°
C04	C13	H1	120.3°	119.6°
C02	O03	H2	109.5°	117.0°
C12	C13	H1	120.3°	119.7°
C13	C12	H5	120.1°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR	C07	N09	C06	179.7°	180.0°
BR	C07	N09	N10	179.8°	180.0°
BR	C07	C06	C05	0.2°	0.0°
BR	C07	C06	C11	179.9°	180.0°
N09	C07	C06	C05	179.9°	179.9°
N09	C07	C06	C11	0.2°	0.0°
C07	N09	N10	C11	0.0°	0.0°
C07	N09	N10	H4	180.0°	180.0°
C06	C07	N09	N10	0.1°	0.0°
C07	C06	C05	C11	179.9°	179.9°
C07	C06	C05	C04	179.8°	180.0°
C07	C06	C11	N10	0.2°	0.0°
C07	C06	C11	C12	179.9°	179.7°
C07	C06	C05	H3	0.2°	0.1°
N09	N10	C11	C06	0.2°	0.0°
N09	N10	C11	H4	180.0°	180.0°
N09	N10	C11	C12	179.9°	179.7°
C06	C05	C04	H3	180.0°	179.8°
C05	C06	C11	N10	179.9°	180.0°
C05	C06	C11	C12	0.1°	0.2°
C06	C05	C04	C02	179.8°	180.0°
C06	C05	C04	C13	0.2°	0.1°
C11	C06	C05	C04	0.2°	0.1°
C06	C11	N10	C12	179.9°	179.7°
C06	C11	C12	C13	0.0°	0.6°
C11	C06	C05	H3	179.8°	179.9°
C06	C11	C12	H5	180.0°	179.9°
C06	C11	N10	H4	179.9°	180.0°
C05	C04	C02	O01	23.4°	0.1°
C05	C04	C02	C13	179.6°	179.9°
C05	C04	C02	O03	156.6°	180.0°
C05	C04	C13	C12	0.2°	0.2°
C05	C04	C13	H1	179.9°	179.9°
O01	C02	C04	O03	180.0°	180.0°
O01	C02	C04	C13	157.0°	180.0°
O01	C02	O03	H2	0.0°	0.0°
N10	C11	C12	C13	179.9°	179.8°
N10	C11	C12	H5	0.1°	0.4°
C11	C12	C13	C04	0.1°	0.6°
C11	C12	C13	H5	180.0°	179.4°
C11	C12	C13	H1	180.0°	179.8°
C12	C11	N10	H4	0.0°	0.3°
C02	C04	C13	C12	179.8°	179.7°
C02	C04	C13	H1	0.2°	0.0°
C04	C02	O03	H2	180.0°	180.0°
C02	C04	C05	H3	0.2°	0.2°
C13	C04	C02	O03	23.1°	0.0°
C04	C13	C12	H1	180.0°	179.6°
C13	C04	C05	H3	179.8°	179.9°
C04	C13	C12	H5	179.9°	179.9°
H1	C13	C12	H5	0.0°	0.4°

219869

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