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Summary Geometry Related PDB entries

TOH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C9	doub	1.22Å	1.23Å
C9	C10	sing	1.51Å	1.46Å
C9	C8	sing	1.48Å	1.52Å
C10	O10	doub	1.21Å	1.25Å
C10	O11	sing	1.34Å	1.25Å
O11	HO11	sing	0.98Å	0.95Å
C8	C7	doub	1.35Å	1.34Å
C8	H81	sing	1.08Å	1.08Å
C7	C1	sing	1.46Å	1.48Å
C7	H71	sing	1.09Å	1.08Å
C1	C6	doub	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C4	C3	sing	1.39Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C3	C2	doub	1.40Å	1.39Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C2	O2	sing	1.36Å	1.35Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C9	C10	119.0°	119.1°
O8	C9	C8	122.4°	124.6°
C10	C9	C8	118.6°	116.4°
C9	C10	O10	119.1°	123.4°
C9	C10	O11	118.9°	109.8°
C9	C8	C7	114.0°	120.2°
C9	C8	H81	123.0°	117.9°
O10	C10	O11	122.1°	126.8°
C10	O11	HO11	109.5°	112.2°
C7	C8	H81	123.0°	121.8°
C8	C7	C1	121.9°	125.2°
C8	C7	H71	119.0°	118.8°
C1	C7	H71	119.0°	116.0°
C7	C1	C6	121.0°	119.0°
C7	C1	C2	119.2°	121.0°
C6	C1	C2	119.7°	120.0°
C1	C6	C5	120.0°	120.0°
C1	C6	H6	120.0°	120.9°
C1	C2	C3	120.7°	120.0°
C1	C2	O2	119.7°	121.3°
C5	C6	H6	120.0°	119.1°
C6	C5	C4	119.9°	120.0°
C6	C5	H5	120.0°	120.0°
C4	C5	H5	120.0°	120.0°
C5	C4	C3	120.2°	120.0°
C5	C4	H4	119.9°	120.0°
C3	C4	H4	119.9°	120.0°
C4	C3	C2	119.5°	120.0°
C4	C3	H3	120.3°	119.6°
C2	C3	H3	120.3°	120.4°
C3	C2	O2	119.6°	118.8°
C2	O2	HO2	109.5°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C9	C10	C8	178.9°	179.5°
O8	C9	C10	O10	137.8°	179.8°
O8	C9	C10	O11	41.8°	0.0°
O8	C9	C8	C7	27.4°	0.3°
O8	C9	C8	H81	152.6°	179.5°
C9	C10	O10	O11	179.6°	179.8°
C9	C10	O11	HO11	179.6°	179.8°
C10	C9	C8	C7	153.7°	179.2°
C10	C9	C8	H81	26.3°	0.0°
C8	C9	C10	O10	43.3°	0.7°
C8	C9	C10	O11	137.1°	179.5°
C9	C8	C7	H81	180.0°	179.2°
C9	C8	C7	C1	79.1°	179.5°
C9	C8	C7	H71	100.9°	0.5°
O10	C10	O11	HO11	0.0°	0.0°
C8	C7	C1	H71	180.0°	179.0°
C8	C7	C1	C6	0.6°	31.1°
C8	C7	C1	C2	179.1°	148.9°
H81	C8	C7	C1	100.9°	0.4°
H81	C8	C7	H71	79.1°	178.6°
C7	C1	C6	C2	179.8°	180.0°
C7	C1	C6	C5	179.4°	180.0°
C7	C1	C6	H6	0.6°	0.0°
C7	C1	C2	C3	179.4°	180.0°
C7	C1	C2	O2	0.2°	0.0°
H71	C7	C1	C6	179.4°	149.9°
H71	C7	C1	C2	0.9°	30.1°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	H5	179.7°	180.0°
C6	C1	C2	C3	0.4°	0.0°
C6	C1	C2	O2	180.0°	180.0°
C2	C1	C6	C5	0.3°	0.0°
C2	C1	C6	H6	179.7°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	O2	179.7°	180.0°
C1	C2	C3	H3	179.6°	180.0°
C1	C2	O2	HO2	119.1°	167.5°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H4	179.8°	180.0°
H6	C6	C5	C4	179.7°	180.0°
H6	C6	C5	H5	0.2°	0.1°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.3°	0.0°
C5	C4	C3	H3	179.7°	180.0°
H5	C5	C4	C3	179.8°	180.0°
H5	C5	C4	H4	0.2°	0.0°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	O2	180.0°	180.0°
H4	C4	C3	C2	179.7°	180.0°
H4	C4	C3	H3	0.3°	0.0°
C3	C2	O2	HO2	61.2°	12.4°
H3	C3	C2	O2	0.0°	0.1°

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PDB entries from 2026-02-11

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