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Summary Geometry Related PDB entries

KAY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C10	doub	1.21Å	1.25Å
O07	C06	doub	1.21Å	1.25Å
C06	O08	sing	1.35Å	1.26Å
C06	C05	sing	1.48Å	1.53Å
C10	C09	sing	1.48Å	1.52Å
C10	O11	sing	1.35Å	1.26Å
C05	C09	doub	1.41Å	1.39Å	Aromatic
C05	C04	sing	1.39Å	1.39Å	Aromatic
C09	C13	sing	1.39Å	1.38Å	Aromatic
C04	C03	doub	1.38Å	1.38Å	Aromatic
C13	C02	doub	1.38Å	1.39Å	Aromatic
C03	C02	sing	1.38Å	1.38Å	Aromatic
C02	C01	sing	1.51Å	1.53Å
C13	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
O08	H7	sing	0.97Å	0.95Å
O11	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C10	C09	118.1°	119.9°
O12	C10	O11	121.4°	120.0°
O07	C06	O08	120.2°	120.0°
O07	C06	C05	120.9°	119.9°
O08	C06	C05	118.9°	120.1°
C06	O08	H7	109.5°	117.0°
C06	C05	C09	121.7°	120.2°
C06	C05	C04	118.5°	120.2°
C09	C10	O11	120.5°	120.0°
C10	C09	C05	120.6°	120.2°
C10	C09	C13	118.6°	120.2°
C10	O11	H8	109.5°	117.0°
C09	C05	C04	119.8°	119.6°
C05	C09	C13	120.8°	119.6°
C05	C04	C03	119.2°	120.0°
C05	C04	H6	120.4°	120.0°
C09	C13	C02	119.2°	120.0°
C09	C13	H1	120.4°	119.9°
C04	C03	C02	121.0°	120.4°
C04	C03	H5	119.5°	119.8°
C03	C04	H6	120.4°	120.0°
C13	C02	C03	120.1°	120.4°
C13	C02	C01	119.5°	119.8°
C02	C13	H1	120.4°	120.1°
C03	C02	C01	120.4°	119.8°
C02	C03	H5	119.5°	119.8°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.4°	109.4°
H2	C01	H3	109.5°	109.5°
H2	C01	H4	109.5°	109.5°
H3	C01	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C10	C09	O11	178.4°	179.8°
O12	C10	C09	C05	49.1°	6.6°
O12	C10	C09	C13	128.7°	174.0°
O12	C10	O11	H8	0.0°	0.3°
O07	C06	O08	C05	178.5°	180.0°
O07	C06	C05	C09	130.2°	54.9°
O07	C06	C05	C04	51.9°	125.7°
O07	C06	O08	H7	0.0°	0.0°
O08	C06	C05	C09	51.3°	125.1°
O08	C06	C05	C04	126.6°	54.3°
C06	C05	C09	C10	3.1°	0.6°
C06	C05	C09	C04	177.9°	179.4°
C06	C05	C09	C13	179.2°	180.0°
C06	C05	C04	C03	178.8°	179.7°
C06	C05	C04	H6	1.2°	0.3°
C05	C06	O08	H7	178.5°	180.0°
C10	C09	C05	C13	177.7°	179.4°
C10	C09	C05	C04	179.0°	180.0°
C10	C09	C13	C02	178.8°	180.0°
C10	C09	C13	H1	1.3°	0.3°
C09	C10	O11	H8	178.4°	180.0°
O11	C10	C09	C05	132.5°	173.1°
O11	C10	C09	C13	49.7°	6.3°
C09	C05	C04	C03	0.8°	0.3°
C05	C09	C13	C02	1.0°	0.6°
C05	C09	C13	H1	179.0°	179.8°
C09	C05	C04	H6	179.1°	179.7°
C04	C05	C09	C13	1.3°	0.6°
C05	C04	C03	H6	180.0°	179.9°
C05	C04	C03	C02	0.1°	0.0°
C05	C04	C03	H5	179.9°	179.9°
C09	C13	C02	H1	180.0°	179.7°
C09	C13	C02	C03	0.2°	0.3°
C09	C13	C02	C01	180.0°	179.7°
C04	C03	C02	C13	0.2°	0.0°
C04	C03	C02	H5	180.0°	179.9°
C04	C03	C02	C01	179.6°	180.0°
C13	C02	C03	C01	179.8°	180.0°
C13	C02	C01	H2	90.1°	90.0°
C13	C02	C01	H3	149.9°	150.0°
C13	C02	C01	H4	29.9°	30.0°
C13	C02	C03	H5	179.8°	179.9°
C03	C02	C13	H1	179.8°	179.9°
C03	C02	C01	H2	90.1°	90.0°
C03	C02	C01	H3	29.9°	30.1°
C03	C02	C01	H4	149.9°	150.1°
C02	C03	C04	H6	179.9°	180.0°
C01	C02	C13	H1	0.0°	0.0°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.0°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	0.4°	0.1°
H2	C01	H3	H4	120.0°	120.0°
H5	C03	C04	H6	0.1°	0.0°

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