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Summary Geometry Related PDB entries

ONR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C6	sing	1.39Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.40Å	1.38Å	Aromatic
C3	O13	sing	1.36Å	1.37Å
C4	C5	sing	1.40Å	1.38Å	Aromatic
C4	C8	sing	1.48Å	1.45Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C6	CL7	sing	1.74Å	1.71Å
C8	C9	doub	1.37Å	1.37Å	Aromatic
C8	O12	sing	1.35Å	1.36Å	Aromatic
C9	C10	sing	1.41Å	1.42Å	Aromatic
C10	N11	doub	1.30Å	1.34Å	Aromatic
N11	O12	sing	1.21Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
O13	HO13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.0°	120.3°
C1	C2	C3	119.2°	120.1°
C2	C1	H1	120.5°	119.8°
C1	C2	H2	120.4°	119.9°
C1	C6	C5	121.3°	120.2°
C1	C6	CL7	119.6°	119.8°
C6	C1	H1	120.5°	119.9°
C2	C3	C4	122.4°	119.8°
C2	C3	O13	118.1°	120.1°
C3	C2	H2	120.4°	120.0°
C4	C3	O13	119.5°	120.1°
C3	C4	C5	117.8°	119.6°
C3	C4	C8	122.3°	120.2°
C3	O13	HO13	109.5°	114.0°
C5	C4	C8	119.8°	120.2°
C4	C5	C6	120.3°	119.9°
C4	C5	H5	119.9°	120.0°
C4	C8	C9	134.7°	126.9°
C4	C8	O12	116.1°	126.9°
C5	C6	CL7	119.0°	119.9°
C6	C5	H5	119.8°	120.1°
C9	C8	O12	109.1°	106.1°
C8	C9	C10	104.4°	103.9°
C8	C9	H9	127.8°	128.0°
C8	O12	N11	109.5°	111.4°
C9	C10	N11	111.5°	106.6°
C10	C9	H9	127.8°	128.1°
C9	C10	H10	124.2°	126.7°
C10	N11	O12	105.4°	111.9°
N11	C10	H10	124.2°	126.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	O13	179.7°	180.0°
C2	C1	C6	C5	1.1°	0.1°
C2	C1	C6	CL7	179.7°	180.0°
C6	C1	C2	C3	0.1°	0.1°
C1	C6	C5	C4	1.7°	0.0°
C1	C6	C5	CL7	178.7°	179.9°
C6	C1	C2	H2	179.9°	179.9°
C1	C6	C5	H5	178.3°	180.0°
C2	C3	C4	O13	179.4°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	C8	177.4°	180.0°
C3	C2	C1	H1	179.9°	179.7°
C2	C3	O13	HO13	180.0°	90.1°
C3	C4	C5	C8	177.2°	180.0°
C3	C4	C5	C6	1.3°	0.0°
C3	C4	C8	C9	13.8°	130.0°
C3	C4	C8	O12	171.6°	50.3°
C4	C3	C2	H2	179.7°	180.0°
C3	C4	C5	H5	178.8°	180.0°
C4	C3	O13	HO13	0.6°	90.0°
O13	C3	C4	C5	179.1°	180.0°
O13	C3	C4	C8	2.0°	0.0°
O13	C3	C2	H2	0.3°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	CL7	179.6°	179.9°
C5	C4	C8	C9	163.2°	50.0°
C5	C4	C8	O12	11.4°	129.6°
C8	C4	C5	C6	178.4°	180.0°
C4	C8	C9	O12	174.9°	179.7°
C4	C8	C9	C10	175.8°	180.0°
C4	C8	O12	N11	176.4°	179.8°
C8	C4	C5	H5	1.6°	0.0°
C4	C8	C9	H9	4.2°	0.1°
C5	C6	C1	H1	178.9°	179.7°
CL7	C6	C1	H1	0.3°	0.2°
CL7	C6	C5	H5	0.3°	0.1°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	N11	1.2°	0.0°
C9	C8	O12	N11	0.4°	0.4°
C8	C9	C10	H10	178.8°	179.9°
O12	C8	C9	C10	0.9°	0.2°
C8	O12	N11	C10	0.3°	0.5°
O12	C8	C9	H9	179.0°	179.8°
C9	C10	N11	H10	180.0°	179.9°
C9	C10	N11	O12	0.9°	0.3°
N11	C10	C9	H9	178.8°	180.0°
O12	N11	C10	H10	179.1°	179.8°
H1	C1	C2	H2	0.1°	0.3°
H9	C9	C10	H10	1.2°	0.0°

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PDB entries from 2026-02-04

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