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Summary Geometry Related PDB entries

ZZ8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	C8	doub	1.21Å	1.25Å
C8	C11	sing	1.51Å	1.52Å
C8	N7	sing	1.35Å	1.36Å
N7	C6	sing	1.39Å	1.35Å
C6	C1	sing	1.39Å	1.42Å	Aromatic
C6	C5	doub	1.40Å	1.49Å	Aromatic
C1	C2	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.41Å	Aromatic
C3	C4	doub	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.42Å	Aromatic
C5	C10	sing	1.47Å	1.50Å
C10	O12	doub	1.22Å	1.25Å
C10	O13	sing	1.35Å	1.25Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å
N7	H7	sing	0.97Å	1.00Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
O13	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C8	C11	119.0°	120.1°
O21	C8	N7	129.4°	120.0°
C11	C8	N7	111.6°	120.0°
C8	C11	H111	109.5°	109.4°
C8	C11	H112	109.4°	109.5°
C8	C11	H113	109.5°	109.5°
C8	N7	C6	126.3°	120.0°
C8	N7	H7	116.8°	120.1°
N7	C6	C1	116.8°	120.2°
N7	C6	C5	124.5°	120.2°
C6	N7	H7	116.9°	120.0°
C1	C6	C5	118.1°	119.6°
C6	C1	C2	121.9°	120.1°
C6	C1	H1	119.0°	120.0°
C6	C5	C4	117.4°	119.6°
C6	C5	C10	122.6°	120.2°
C1	C2	C3	121.1°	120.4°
C2	C1	H1	119.0°	119.9°
C1	C2	H2	119.4°	119.8°
C2	C3	C4	118.9°	120.4°
C3	C2	H2	119.5°	119.8°
C2	C3	H3	120.6°	119.8°
C3	C4	C5	122.6°	119.9°
C4	C3	H3	120.6°	119.9°
C3	C4	H4	118.7°	120.0°
C4	C5	C10	120.0°	120.2°
C5	C4	H4	118.7°	120.0°
C5	C10	O12	120.2°	119.9°
C5	C10	O13	120.6°	120.0°
O12	C10	O13	119.1°	120.1°
C10	O13	H13	109.5°	117.0°
H111	C11	H112	109.5°	109.5°
H111	C11	H113	109.5°	109.5°
H112	C11	H113	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C8	C11	N7	178.5°	179.7°
O21	C8	N7	C6	17.9°	5.5°
O21	C8	C11	H111	83.7°	0.0°
O21	C8	C11	H112	156.4°	120.0°
O21	C8	C11	H113	36.3°	120.0°
O21	C8	N7	H7	162.1°	174.4°
C11	C8	N7	C6	160.4°	174.2°
C8	C11	H111	H112	120.0°	120.0°
C8	C11	H111	H113	120.0°	120.0°
C8	C11	H112	H113	120.0°	120.0°
C11	C8	N7	H7	19.6°	5.8°
C8	N7	C6	H7	180.0°	180.0°
C8	N7	C6	C1	134.0°	25.2°
C8	N7	C6	C5	37.8°	154.5°
N7	C8	C11	H111	97.8°	179.7°
N7	C8	C11	H112	22.2°	59.7°
N7	C8	C11	H113	142.2°	60.3°
N7	C6	C1	C5	172.3°	179.8°
N7	C6	C1	C2	173.5°	180.0°
N7	C6	C5	C4	172.1°	179.8°
N7	C6	C5	C10	8.1°	0.0°
N7	C6	C1	H1	6.5°	0.0°
C6	C1	C2	H1	180.0°	180.0°
C6	C1	C2	C3	1.2°	0.0°
C1	C6	C5	C4	0.4°	0.5°
C1	C6	C5	C10	179.8°	179.7°
C1	C6	N7	H7	46.0°	154.8°
C6	C1	C2	H2	178.8°	180.0°
C5	C6	C1	C2	1.2°	0.3°
C6	C5	C4	C3	0.4°	0.5°
C6	C5	C4	C10	179.8°	179.8°
C6	C5	C10	O12	131.6°	4.9°
C6	C5	C10	O13	51.0°	175.1°
C5	C6	N7	H7	142.2°	25.5°
C5	C6	C1	H1	178.8°	179.8°
C6	C5	C4	H4	179.6°	179.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.4°	0.0°
C1	C2	C3	H3	179.6°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.4°	0.2°
C3	C2	C1	H1	178.8°	180.0°
C2	C3	C4	H4	179.6°	180.0°
C3	C4	C5	H4	180.0°	179.8°
C3	C4	C5	C10	179.5°	179.8°
C4	C3	C2	H2	179.6°	180.0°
C4	C5	C10	O12	48.6°	174.8°
C4	C5	C10	O13	128.9°	5.1°
C5	C4	C3	H3	179.6°	179.7°
C5	C10	O12	O13	177.5°	180.0°
C10	C5	C4	H4	0.5°	0.1°
C5	C10	O13	H13	177.4°	179.9°
O12	C10	O13	H13	0.0°	0.1°
H111	C11	H112	H113	120.0°	120.0°
H1	C1	C2	H2	1.2°	0.1°
H2	C2	C3	H3	0.4°	0.0°
H3	C3	C4	H4	0.4°	0.1°

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PDB entries from 2026-02-04

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