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Summary Geometry Related PDB entries

R20

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.49Å	1.47Å	Aromatic
C1	C3	doub	1.39Å	1.43Å	Aromatic
C1	C4	sing	1.39Å	1.43Å	Aromatic
C2	C5	doub	1.36Å	1.39Å	Aromatic
C2	N6	sing	1.34Å	1.39Å	Aromatic
C3	C7	sing	1.38Å	1.44Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C8	doub	1.38Å	1.43Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	N9	sing	1.35Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C7	C11	doub	1.38Å	1.41Å	Aromatic
C7	C12	sing	1.51Å	1.50Å
C8	C11	sing	1.38Å	1.42Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C11	H11	sing	1.08Å	1.10Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.12Å
C12	H123	sing	1.09Å	1.12Å
N6	N10	doub	1.29Å	1.36Å	Aromatic
N9	N10	sing	1.29Å	1.34Å	Aromatic
N9	HN9	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	120.6°	120.1°
C2	C1	C4	121.3°	120.1°
C1	C2	C5	132.9°	126.9°
C1	C2	N6	124.5°	126.9°
C3	C1	C4	118.1°	119.8°
C1	C3	C7	121.2°	119.9°
C1	C3	H3	119.2°	120.1°
C1	C4	C8	120.6°	119.9°
C1	C4	H4	119.8°	120.1°
C5	C2	N6	102.5°	106.2°
C2	C5	N9	110.5°	106.1°
C2	C5	H5	125.5°	127.0°
C2	N6	N10	111.4°	108.8°
C7	C3	H3	119.6°	120.1°
C3	C7	C11	119.7°	120.1°
C3	C7	C12	120.3°	119.9°
C8	C4	H4	119.6°	120.0°
C4	C8	C11	120.4°	120.1°
C4	C8	H8	119.9°	120.0°
N9	C5	H5	124.0°	127.0°
C5	N9	N10	107.9°	108.5°
C5	N9	HN9	127.0°	125.8°
C11	C7	C12	119.9°	120.0°
C7	C11	C8	119.9°	120.3°
C7	C11	H11	119.6°	119.9°
C7	C12	H121	120.3°	109.5°
C7	C12	H122	108.3°	109.5°
C7	C12	H123	108.3°	109.5°
C11	C8	H8	119.6°	119.9°
C8	C11	H11	120.5°	119.9°
H121	C12	H122	108.3°	109.5°
H121	C12	H123	108.4°	109.4°
H122	C12	H123	101.6°	109.5°
N6	N10	N9	107.7°	110.5°
N10	N9	HN9	125.1°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C4	178.3°	179.7°
C1	C2	C5	N6	179.2°	179.7°
C2	C1	C3	C7	179.6°	179.7°
C2	C1	C3	H3	0.4°	0.3°
C2	C1	C4	C8	179.6°	180.0°
C2	C1	C4	H4	0.4°	0.0°
C1	C2	C5	N9	179.5°	180.0°
C1	C2	C5	H5	0.6°	0.0°
C1	C2	N6	N10	179.6°	179.8°
C3	C1	C2	C5	175.8°	139.7°
C3	C1	C2	N6	5.1°	40.0°
C1	C3	C7	H3	180.0°	179.5°
C3	C1	C4	C8	2.0°	0.2°
C3	C1	C4	H4	177.9°	179.8°
C1	C3	C7	C11	1.9°	0.6°
C1	C3	C7	C12	179.6°	179.7°
C4	C1	C2	C5	2.5°	40.0°
C4	C1	C2	N6	176.6°	140.3°
C4	C1	C3	C7	2.0°	0.5°
C4	C1	C3	H3	177.9°	180.0°
C1	C4	C8	H4	180.0°	180.0°
C1	C4	C8	C11	1.9°	0.1°
C1	C4	C8	H8	178.1°	180.0°
C2	C5	N9	H5	179.9°	180.0°
C5	C2	N6	N10	0.3°	0.4°
C2	C5	N9	N10	0.1°	0.0°
C2	C5	N9	HN9	179.8°	180.0°
N6	C2	C5	N9	0.3°	0.3°
N6	C2	C5	H5	179.8°	179.8°
C2	N6	N10	N9	0.2°	0.4°
C3	C7	C11	C12	178.6°	179.7°
C3	C7	C11	C8	1.7°	0.2°
C3	C7	C11	H11	178.3°	179.7°
C3	C7	C12	H121	180.0°	90.3°
C3	C7	C12	H122	54.7°	29.7°
C3	C7	C12	H123	54.7°	149.8°
H3	C3	C7	C11	178.1°	180.0°
H3	C3	C7	C12	0.5°	0.3°
C4	C8	C11	C7	1.7°	0.1°
C4	C8	C11	H8	180.0°	179.9°
C4	C8	C11	H11	178.2°	179.9°
H4	C4	C8	C11	178.0°	179.9°
H4	C4	C8	H8	1.9°	0.0°
C5	N9	N10	N6	0.1°	0.3°
C5	N9	N10	HN9	179.9°	180.0°
H5	C5	N9	N10	179.9°	180.0°
H5	C5	N9	HN9	0.2°	0.0°
C7	C11	C8	H11	179.9°	180.0°
C7	C11	C8	H8	178.3°	180.0°
C11	C7	C12	H121	1.4°	90.0°
C11	C7	C12	H122	123.8°	150.0°
C11	C7	C12	H123	126.8°	30.0°
C12	C7	C11	C8	179.8°	180.0°
C12	C7	C11	H11	0.3°	0.0°
C7	C12	H121	H122	125.3°	120.0°
C7	C12	H121	H123	125.3°	120.0°
C7	C12	H122	H123	113.9°	120.0°
H8	C8	C11	H11	1.8°	0.0°
H121	C12	H122	H123	114.0°	120.0°
N6	N10	N9	HN9	180.0°	179.7°

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PDB entries from 2026-02-04

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