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Summary Geometry Related PDB entries

300

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.40Å	1.44Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.39Å	1.44Å	Aromatic
C4	O12	sing	1.36Å	1.41Å
C5	C6	doub	1.40Å	1.44Å	Aromatic
C5	O11	sing	1.36Å	1.43Å
C6	C10	sing	1.47Å	1.51Å
C10	O21	doub	1.21Å	0.98Å
C10	H10	sing	1.08Å	1.10Å
O11	P17	sing	1.61Å	1.55Å
O12	C13	sing	1.43Å	1.44Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.11Å
C13	H133	sing	1.09Å	1.11Å
P17	O18	sing	1.61Å	1.52Å
P17	O19	doub	1.48Å	1.55Å
P17	O20	sing	1.61Å	1.50Å
O18	H18	sing	0.97Å	0.95Å
O20	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	122.9°	120.0°
C2	C1	H1	117.3°	120.0°
C1	C2	C3	118.3°	120.4°
C1	C2	H2	120.7°	119.9°
C6	C1	H1	119.8°	120.0°
C1	C6	C5	117.2°	119.6°
C1	C6	C10	113.2°	120.2°
C3	C2	H2	121.0°	119.8°
C2	C3	C4	121.8°	120.4°
C2	C3	H3	118.5°	119.8°
C4	C3	H3	119.7°	119.8°
C3	C4	C5	119.1°	120.0°
C3	C4	O12	119.2°	120.0°
C5	C4	O12	121.6°	120.0°
C4	C5	C6	120.5°	119.6°
C4	C5	O11	116.8°	120.2°
C4	O12	C13	118.3°	106.9°
C6	C5	O11	122.6°	120.2°
C5	C6	C10	129.4°	120.2°
C5	O11	P17	120.5°	106.8°
C6	C10	O21	129.4°	120.0°
C6	C10	H10	139.6°	120.0°
O21	C10	H10	91.0°	119.9°
O11	P17	O18	107.6°	109.6°
O11	P17	O19	104.5°	109.4°
O11	P17	O20	112.0°	109.5°
O12	C13	H131	118.2°	109.5°
O12	C13	H132	109.0°	109.5°
O12	C13	H133	109.0°	109.5°
H131	C13	H132	109.1°	109.5°
H131	C13	H133	109.1°	109.5°
H132	C13	H133	101.0°	109.5°
O18	P17	O19	110.5°	109.5°
O18	P17	O20	111.4°	109.4°
P17	O18	H18	107.7°	106.8°
O19	P17	O20	110.5°	109.4°
P17	O20	H20	112.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	2.6°	0.1°
C1	C2	C3	H3	177.5°	180.0°
C2	C1	C6	C5	5.3°	0.2°
C2	C1	C6	C10	170.1°	180.0°
C6	C1	C2	C3	2.0°	0.1°
C6	C1	C2	H2	178.1°	179.9°
C1	C6	C5	C4	4.3°	0.6°
C1	C6	C5	C10	174.5°	179.7°
C1	C6	C5	O11	172.9°	179.9°
C1	C6	C10	O21	102.3°	0.1°
C1	C6	C10	H10	77.7°	180.0°
H1	C1	C2	C3	178.0°	180.0°
H1	C1	C2	H2	1.9°	0.0°
H1	C1	C6	C5	174.7°	179.7°
H1	C1	C6	C10	9.9°	0.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	3.5°	0.3°
C2	C3	C4	O12	172.7°	179.9°
H2	C2	C3	C4	177.4°	179.9°
H2	C2	C3	H3	2.6°	0.0°
C3	C4	C5	O12	176.1°	179.7°
C3	C4	C5	C6	0.1°	0.6°
C3	C4	C5	O11	177.2°	179.9°
C3	C4	O12	C13	19.7°	0.0°
H3	C3	C4	C5	176.5°	179.7°
H3	C3	C4	O12	7.3°	0.0°
C4	C5	C6	O11	177.1°	179.3°
C4	C5	C6	C10	170.3°	179.7°
C4	C5	O11	P17	92.2°	90.6°
C5	C4	O12	C13	156.4°	179.7°
O12	C4	C5	C6	176.2°	179.7°
O12	C4	C5	O11	1.1°	0.4°
C4	O12	C13	H131	179.9°	180.0°
C4	O12	C13	H132	54.7°	60.0°
C4	O12	C13	H133	54.7°	60.0°
C5	C6	C10	O21	72.4°	179.7°
C5	C6	C10	H10	107.6°	0.3°
C6	C5	O11	P17	90.5°	90.0°
O11	C5	C6	C10	12.6°	0.3°
C5	O11	P17	O18	162.4°	180.0°
C5	O11	P17	O19	44.9°	60.0°
C5	O11	P17	O20	74.8°	60.0°
C6	C10	O21	H10	180.0°	180.0°
O11	P17	O18	O19	113.6°	120.0°
O11	P17	O18	O20	123.2°	120.0°
O11	P17	O19	O20	120.7°	120.0°
O11	P17	O18	H18	179.9°	179.9°
O11	P17	O20	H20	180.0°	60.0°
O12	C13	H131	H132	125.2°	120.0°
O12	C13	H131	H133	125.3°	120.0°
O12	C13	H132	H133	114.7°	120.0°
H131	C13	H132	H133	114.9°	120.0°
O18	P17	O19	O20	123.8°	120.0°
O18	P17	O20	H20	59.4°	60.1°
O19	P17	O18	H18	66.4°	59.9°
O19	P17	O20	H20	63.9°	180.0°
O20	P17	O18	H18	56.9°	60.0°

247536

PDB entries from 2026-01-14

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