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Summary Geometry Related PDB entries

ODO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	N	sing	1.42Å	1.41Å
C8	C7	sing	1.51Å	1.51Å
C7	C2	sing	1.47Å	1.48Å
C7	N	doub	1.29Å	1.28Å
C2	C3	sing	1.40Å	1.42Å	Aromatic
C2	C1	doub	1.40Å	1.40Å	Aromatic
O10	C3	sing	1.36Å	1.36Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C5	O12	sing	1.36Å	1.37Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.38Å	1.38Å	Aromatic
O11	H11	sing	0.97Å	0.95Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
C8	H83C	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
O10	H10	sing	0.97Å	0.95Å
C4	H4	sing	1.08Å	1.08Å
O12	H12	sing	0.97Å	0.95Å
C6	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	N	C7	113.2°	120.0°
N	O11	H11	109.5°	114.0°
C8	C7	C2	120.8°	120.0°
C8	C7	N	124.4°	120.0°
C7	C8	H81C	109.5°	109.5°
C7	C8	H82C	109.5°	109.4°
C7	C8	H83C	109.5°	109.5°
C2	C7	N	114.8°	120.0°
C7	C2	C3	121.9°	120.1°
C7	C2	C1	119.9°	120.2°
C3	C2	C1	117.5°	119.7°
C2	C3	O10	122.3°	120.1°
C2	C3	C4	120.9°	119.8°
C2	C1	C6	121.6°	120.0°
C2	C1	H1	119.2°	120.0°
O10	C3	C4	116.8°	120.1°
C3	O10	H10	109.5°	114.0°
C3	C4	C5	119.8°	120.0°
C3	C4	H4	120.1°	120.0°
C4	C5	O12	119.6°	119.8°
C4	C5	C6	120.3°	120.3°
C5	C4	H4	120.1°	120.0°
O12	C5	C6	120.0°	119.9°
C5	O12	H12	109.5°	114.0°
C5	C6	C1	119.9°	120.2°
C5	C6	H6	120.1°	119.9°
C6	C1	H1	119.2°	120.1°
C1	C6	H6	120.1°	119.9°
H81C	C8	H82C	109.5°	109.5°
H81C	C8	H83C	109.5°	109.5°
H82C	C8	H83C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	N	C7	C8	1.4°	0.1°
O11	N	C7	C2	179.8°	180.0°
C8	C7	C2	N	178.5°	179.9°
C8	C7	C2	C3	34.3°	180.0°
C8	C7	C2	C1	154.9°	0.2°
C7	C8	H81C	H82C	120.0°	120.0°
C7	C8	H81C	H83C	120.0°	120.0°
C7	C8	H82C	H83C	120.0°	120.0°
C7	C2	C3	C1	171.0°	179.7°
C7	C2	C3	O10	12.5°	0.0°
C7	C2	C3	C4	168.5°	180.0°
C7	C2	C1	C6	168.3°	179.8°
C2	C7	C8	H81C	180.0°	90.0°
C2	C7	C8	H82C	60.0°	150.0°
C2	C7	C8	H83C	60.0°	30.0°
C7	C2	C1	H1	11.7°	0.0°
N	C7	C2	C3	147.2°	0.0°
N	C7	C2	C1	23.6°	179.7°
C7	N	O11	H11	180.0°	180.0°
N	C7	C8	H81C	1.6°	89.9°
N	C7	C8	H82C	121.6°	30.1°
N	C7	C8	H83C	118.4°	150.0°
C2	C3	O10	C4	179.1°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	C6	2.9°	0.5°
C3	C2	C1	H1	177.1°	179.7°
C2	C3	O10	H10	180.0°	90.0°
C2	C3	C4	H4	179.9°	180.0°
C1	C2	C3	O10	176.5°	179.7°
C1	C2	C3	C4	2.5°	0.2°
C2	C1	C6	C5	0.8°	0.5°
C2	C1	C6	H1	180.0°	179.8°
C2	C1	C6	H6	179.2°	179.7°
O10	C3	C4	C5	179.0°	180.0°
O10	C3	C4	H4	1.0°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	O12	175.4°	180.0°
C3	C4	C5	C6	2.1°	0.0°
C4	C3	O10	H10	0.9°	90.0°
C4	C5	O12	C6	177.6°	180.0°
C4	C5	C6	C1	1.8°	0.2°
C4	C5	O12	H12	180.0°	90.0°
C4	C5	C6	H6	178.2°	179.9°
O12	C5	C6	C1	175.8°	179.8°
O12	C5	C4	H4	4.6°	0.0°
O12	C5	C6	H6	4.2°	0.1°
C5	C6	C1	H6	180.0°	179.8°
C5	C6	C1	H1	179.1°	179.7°
C6	C5	C4	H4	177.9°	180.0°
C6	C5	O12	H12	2.4°	90.0°
H81C	C8	H82C	H83C	120.0°	120.0°
H1	C1	C6	H6	0.9°	0.1°

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