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Summary Geometry Related PDB entries

UFH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C03	sing	1.47Å	1.52Å
C04	C03	doub	1.40Å	1.39Å	Aromatic
C04	C05	sing	1.38Å	1.38Å	Aromatic
C03	C13	sing	1.40Å	1.38Å	Aromatic
C05	C06	doub	1.39Å	1.39Å	Aromatic
C13	BR1	sing	1.89Å	1.94Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C06	C12	sing	1.39Å	1.39Å	Aromatic
C06	N07	sing	1.40Å	1.45Å
N07	C11	sing	1.37Å	1.31Å	Aromatic
N07	C08	sing	1.36Å	1.34Å	Aromatic
C11	C10	doub	1.35Å	1.36Å	Aromatic
C08	N09	doub	1.30Å	1.34Å	Aromatic
C10	N09	sing	1.34Å	1.32Å	Aromatic
C02	H1	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C08	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C02	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C03	C04	121.3°	120.2°
C02	C03	C13	118.0°	120.1°
C03	C02	H1	125.1°	120.0°
C03	C02	O1	109.7°	120.0°
C03	C04	C05	119.6°	119.9°
C04	C03	C13	120.8°	119.7°
C03	C04	H4	120.1°	120.0°
C04	C05	C06	119.6°	120.2°
C05	C04	H4	120.2°	120.1°
C04	C05	H5	120.2°	119.9°
C03	C13	BR1	118.4°	120.1°
C03	C13	C12	120.0°	119.8°
C05	C06	C12	120.5°	120.2°
C05	C06	N07	121.0°	119.9°
C06	C05	H5	120.2°	119.9°
BR1	C13	C12	121.6°	120.1°
C13	C12	C06	119.5°	120.1°
C13	C12	H9	120.2°	120.0°
C12	C06	N07	118.5°	119.9°
C06	C12	H9	120.2°	119.9°
C06	N07	C11	126.2°	126.5°
C06	N07	C08	125.3°	126.5°
C11	N07	C08	108.5°	107.0°
N07	C11	C10	107.8°	106.9°
N07	C11	H8	126.1°	126.5°
N07	C08	N09	108.0°	108.6°
N07	C08	H6	126.0°	125.7°
C11	C10	N09	107.8°	108.2°
C11	C10	H7	126.1°	125.9°
C10	C11	H8	126.1°	126.6°
C08	N09	C10	107.8°	109.4°
N09	C08	H6	126.0°	125.7°
N09	C10	H7	126.1°	125.9°
H1	C02	O1	125.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C03	C04	C13	179.8°	179.8°
C02	C03	C04	C05	179.6°	180.0°
C02	C03	C13	BR1	0.0°	0.0°
C02	C03	C13	C12	179.6°	179.8°
C03	C02	H1	O1	180.0°	179.7°
C02	C03	C04	H4	0.4°	0.1°
C03	C04	C05	H4	180.0°	179.9°
C03	C04	C05	C06	0.6°	0.0°
C04	C03	C13	BR1	179.8°	179.7°
C04	C03	C13	C12	0.2°	0.5°
C04	C03	C02	H1	166.8°	0.3°
C03	C04	C05	H5	179.4°	180.0°
C04	C03	C02	O1	13.2°	180.0°
C05	C04	C03	C13	0.3°	0.2°
C04	C05	C06	H5	180.0°	180.0°
C04	C05	C06	C12	0.9°	0.0°
C04	C05	C06	N07	179.9°	180.0°
C03	C13	BR1	C12	179.6°	179.8°
C03	C13	C12	C06	0.5°	0.5°
C13	C03	C02	H1	13.4°	180.0°
C13	C03	C04	H4	179.7°	179.8°
C03	C13	C12	H9	179.5°	179.7°
C13	C03	C02	O1	166.6°	0.3°
C05	C06	C12	C13	0.8°	0.2°
C05	C06	C12	N07	179.2°	180.0°
C05	C06	N07	C11	46.9°	180.0°
C05	C06	N07	C08	133.3°	0.1°
C06	C05	C04	H4	179.4°	179.9°
C05	C06	C12	H9	179.2°	179.9°
BR1	C13	C12	C06	179.9°	179.7°
BR1	C13	C12	H9	0.1°	0.1°
C13	C12	C06	H9	180.0°	179.8°
C13	C12	C06	N07	179.9°	179.8°
C12	C06	N07	C11	133.8°	0.1°
C12	C06	N07	C08	46.0°	180.0°
C12	C06	C05	H5	179.1°	180.0°
C06	N07	C11	C08	179.8°	179.9°
C06	N07	C11	C10	179.9°	179.7°
C06	N07	C08	N09	179.9°	179.9°
N07	C06	C05	H5	0.1°	0.0°
C06	N07	C08	H6	0.0°	0.3°
C06	N07	C11	H8	0.1°	0.1°
N07	C06	C12	H9	0.1°	0.0°
N07	C11	C10	H8	180.0°	179.8°
C11	N07	C08	N09	0.1°	0.0°
N07	C11	C10	N09	0.0°	0.3°
C11	N07	C08	H6	179.9°	179.8°
N07	C11	C10	H7	180.0°	180.0°
C08	N07	C11	C10	0.0°	0.2°
N07	C08	N09	H6	180.0°	179.8°
N07	C08	N09	C10	0.1°	0.2°
C08	N07	C11	H8	180.0°	180.0°
C11	C10	N09	C08	0.1°	0.3°
C11	C10	N09	H7	180.0°	179.7°
C08	N09	C10	H7	179.9°	180.0°
C10	N09	C08	H6	179.8°	180.0°
N09	C10	C11	H8	180.0°	179.9°
H4	C04	C05	H5	0.6°	0.1°
H7	C10	C11	H8	0.0°	0.2°

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