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Summary Geometry Related PDB entries

6J1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C05	sing	1.36Å	1.35Å
O10	N08	doub	1.22Å	1.20Å
O14	N12	doub	1.22Å	1.21Å
C05	C06	doub	1.39Å	1.40Å	Aromatic
C05	C04	sing	1.39Å	1.40Å	Aromatic
N08	C06	sing	1.48Å	1.47Å
N08	O09	sing	1.22Å	1.21Å
N12	O13	sing	1.22Å	1.21Å
N12	C04	sing	1.48Å	1.50Å
C06	C07	sing	1.38Å	1.39Å	Aromatic
C04	C03	doub	1.38Å	1.39Å	Aromatic
C07	C02	doub	1.38Å	1.40Å	Aromatic
C03	C02	sing	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.51Å	1.50Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
O11	H111	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C05	C06	118.9°	120.1°
O11	C05	C04	123.4°	120.1°
C05	O11	H111	109.5°	114.0°
O10	N08	C06	118.2°	120.0°
O10	N08	O09	123.9°	120.0°
O14	N12	O13	123.5°	120.0°
O14	N12	C04	117.8°	120.0°
C06	C05	C04	117.7°	119.9°
C05	C06	N08	121.5°	120.0°
C05	C06	C07	121.2°	119.9°
C05	C04	N12	121.0°	120.0°
C05	C04	C03	121.6°	119.9°
C06	N08	O09	117.9°	120.0°
N08	C06	C07	117.3°	120.1°
O13	N12	C04	118.7°	120.0°
N12	C04	C03	117.4°	120.0°
C06	C07	C02	120.4°	120.1°
C06	C07	H071	119.8°	120.0°
C04	C03	C02	120.3°	120.1°
C04	C03	H031	119.8°	120.0°
C07	C02	C03	119.0°	120.1°
C07	C02	C01	121.0°	119.9°
C02	C07	H071	119.8°	120.0°
C03	C02	C01	120.0°	119.9°
C02	C03	H031	119.9°	120.0°
C02	C01	H011	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
H011	C01	H013	109.5°	109.4°
H011	C01	H012	109.4°	109.5°
H013	C01	H012	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C05	C06	C04	179.9°	179.7°
O11	C05	C06	N08	0.3°	0.3°
O11	C05	C04	N12	0.1°	0.2°
O11	C05	C06	C07	179.9°	180.0°
O11	C05	C04	C03	180.0°	179.7°
O10	N08	C06	C05	18.3°	180.0°
O10	N08	C06	O09	179.7°	180.0°
O10	N08	C06	C07	161.8°	0.2°
O14	N12	C04	C05	12.4°	0.0°
O14	N12	O13	C04	179.9°	180.0°
O14	N12	C04	C03	167.5°	180.0°
C05	C06	N08	C07	179.8°	179.7°
C05	C06	N08	O09	161.4°	0.0°
C06	C05	C04	N12	179.9°	179.9°
C06	C05	C04	C03	0.1°	0.0°
C05	C06	C07	C02	0.1°	0.5°
C05	C06	C07	H071	179.9°	180.0°
C06	C05	O11	H111	7.4°	90.0°
C04	C05	C06	N08	179.8°	180.0°
C05	C04	N12	O13	167.6°	180.0°
C05	C04	N12	C03	180.0°	179.9°
C04	C05	C06	C07	0.0°	0.3°
C05	C04	C03	C02	0.0°	0.0°
C05	C04	C03	H031	180.0°	180.0°
C04	C05	O11	H111	172.5°	89.8°
N08	C06	C07	C02	179.7°	179.8°
N08	C06	C07	H071	0.2°	0.3°
O09	N08	C06	C07	18.4°	179.7°
O13	N12	C04	C03	12.4°	0.0°
N12	C04	C03	C02	180.0°	180.0°
N12	C04	C03	H031	0.0°	0.1°
C06	C07	C02	H071	180.0°	179.5°
C06	C07	C02	C03	0.1°	0.5°
C06	C07	C02	C01	179.8°	179.7°
C04	C03	C02	C07	0.1°	0.2°
C04	C03	C02	H031	180.0°	179.9°
C04	C03	C02	C01	179.7°	180.0°
C07	C02	C03	C01	179.7°	179.8°
C07	C02	C01	H011	89.8°	90.2°
C07	C02	C01	H013	150.2°	29.7°
C07	C02	C01	H012	30.2°	149.8°
C07	C02	C03	H031	179.9°	179.7°
C03	C02	C01	H011	89.8°	90.0°
C03	C02	C01	H013	30.2°	150.1°
C03	C02	C01	H012	150.2°	30.0°
C03	C02	C07	H071	179.9°	180.0°
C02	C01	H011	H013	120.0°	120.0°
C02	C01	H011	H012	120.0°	120.0°
C02	C01	H013	H012	120.0°	120.1°
C01	C02	C03	H031	0.3°	0.0°
C01	C02	C07	H071	0.2°	0.3°
H011	C01	H013	H012	120.0°	120.0°

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