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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.46Å
C1	C8	sing	1.51Å	1.45Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	doub	1.32Å	1.48Å
C2	H2	sing	1.08Å	1.10Å
C3	C9	sing	1.47Å	1.49Å
C3	H3	sing	1.08Å	1.10Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.40Å	1.36Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	sing	1.38Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	doub	1.39Å	1.37Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.37Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.40Å	1.38Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C8	107.3°	105.4°
C2	C1	H11	113.0°	110.3°
C2	C1	H12	113.0°	110.3°
C1	C2	C3	108.0°	108.3°
C1	C2	H2	125.6°	125.8°
C8	C1	H11	113.0°	110.2°
C8	C1	H12	113.0°	110.2°
C1	C8	C7	129.2°	133.2°
C1	C8	C9	109.7°	106.3°
H11	C1	H12	97.5°	110.3°
C3	C2	H2	126.4°	125.9°
C2	C3	C9	105.2°	111.1°
C2	C3	H3	127.1°	124.4°
C9	C3	H3	127.6°	124.5°
C3	C9	C4	130.1°	131.9°
C3	C9	C8	109.6°	108.9°
C5	C4	C9	118.4°	119.9°
C5	C4	H4	121.5°	120.1°
C4	C5	C6	122.2°	120.4°
C4	C5	H5	119.1°	119.8°
C9	C4	H4	120.1°	120.1°
C4	C9	C8	120.2°	119.2°
C6	C5	H5	118.7°	119.8°
C5	C6	C7	119.7°	120.1°
C5	C6	H6	120.2°	120.0°
C7	C6	H6	120.2°	119.9°
C6	C7	C8	118.4°	119.9°
C6	C7	H7	120.1°	120.0°
C8	C7	H7	121.5°	120.1°
C7	C8	C9	121.0°	120.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C8	H11	125.2°	119.0°
C2	C1	C8	H12	125.2°	119.0°
C2	C1	H11	H12	119.0°	122.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C9	0.8°	0.0°
C1	C2	C3	H3	179.2°	180.0°
C2	C1	C8	C7	179.5°	180.0°
C2	C1	C8	C9	3.4°	0.0°
C8	C1	H11	H12	118.9°	122.0°
C8	C1	C2	C3	1.5°	0.0°
C8	C1	C2	H2	178.6°	180.0°
C1	C8	C9	C3	4.0°	0.0°
C1	C8	C9	C4	179.9°	180.0°
C1	C8	C7	C6	178.8°	180.0°
C1	C8	C7	C9	175.7°	180.0°
C1	C8	C7	H7	1.2°	0.0°
H11	C1	C2	C3	126.7°	119.0°
H11	C1	C2	H2	53.3°	61.0°
H11	C1	C8	C7	55.3°	61.0°
H11	C1	C8	C9	128.7°	119.0°
H12	C1	C2	C3	123.7°	119.0°
H12	C1	C2	H2	56.3°	61.0°
H12	C1	C8	C7	54.3°	61.0°
H12	C1	C8	C9	121.8°	119.0°
C2	C3	C9	H3	180.0°	180.0°
C2	C3	C9	C4	178.6°	180.0°
C2	C3	C9	C8	3.0°	0.0°
H2	C2	C3	C9	179.1°	180.0°
H2	C2	C3	H3	0.8°	0.0°
C3	C9	C4	C5	178.2°	180.0°
C3	C9	C4	C8	175.2°	180.0°
C3	C9	C4	H4	1.8°	0.0°
C3	C9	C8	C7	179.5°	180.0°
H3	C3	C9	C4	1.4°	0.0°
H3	C3	C9	C8	177.0°	180.0°
C5	C4	C9	H4	180.0°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	2.2°	0.0°
C4	C5	C6	H6	177.8°	180.0°
C5	C4	C9	C8	3.0°	0.0°
C9	C4	C5	C6	2.4°	0.0°
C9	C4	C5	H5	177.6°	180.0°
C4	C9	C8	C7	3.4°	0.0°
H4	C4	C5	C6	177.6°	180.0°
H4	C4	C5	H5	2.4°	0.0°
H4	C4	C9	C8	177.0°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	2.4°	0.0°
C5	C6	C7	H7	177.6°	180.0°
H5	C5	C6	C7	177.8°	180.0°
H5	C5	C6	H6	2.2°	0.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	3.1°	0.0°
H6	C6	C7	C8	177.6°	180.0°
H6	C6	C7	H7	2.4°	0.0°
H7	C7	C8	C9	176.9°	180.0°

250059

PDB entries from 2026-03-04

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