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Summary Geometry Related PDB entries

A1CD1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N8	C7	sing	1.47Å	1.50Å
C7	C6	sing	1.53Å	1.52Å
C6	C5	sing	1.51Å	1.50Å
C5	C4	doub	1.33Å	1.37Å	Aromatic
C5	S9	sing	1.76Å	1.72Å	Aromatic
C4	C3	sing	1.38Å	1.41Å	Aromatic
C3	C2	doub	1.33Å	1.36Å	Aromatic
S9	C2	sing	1.76Å	1.72Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C4	H4	sing	1.08Å	1.08Å
C6	H6B	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
N8	H8B	sing	1.01Å	1.00Å
N8	H8A	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N8	C7	C6	111.3°	109.5°
N8	C7	H7B	109.0°	109.5°
N8	C7	H7A	109.0°	109.5°
C7	N8	H8B	109.5°	111.0°
C7	N8	H8A	109.5°	111.0°
C7	C6	C5	113.9°	109.5°
C7	C6	H6B	108.4°	109.5°
C7	C6	H6A	108.4°	109.4°
C6	C7	H7B	109.0°	109.4°
C6	C7	H7A	109.0°	109.5°
C6	C5	C4	129.9°	125.2°
C6	C5	S9	119.7°	125.2°
C5	C6	H6B	108.4°	109.4°
C5	C6	H6A	108.4°	109.5°
C4	C5	S9	110.4°	109.6°
C5	C4	C3	113.1°	114.9°
C5	C4	H4	123.5°	122.5°
C5	S9	C2	92.5°	91.0°
C4	C3	C2	113.6°	115.0°
C3	C4	H4	123.5°	122.6°
C4	C3	H3	123.2°	122.5°
C3	C2	S9	110.4°	109.5°
C3	C2	C1	128.8°	125.2°
C2	C3	H3	123.2°	122.5°
S9	C2	C1	120.5°	125.3°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1C	109.5°	109.4°
C2	C1	H1B	109.5°	109.4°
H6B	C6	H6A	109.4°	109.5°
H7B	C7	H7A	109.4°	109.4°
H1A	C1	H1C	109.5°	109.5°
H1A	C1	H1B	109.4°	109.5°
H1C	C1	H1B	109.5°	109.5°
H8B	N8	H8A	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N8	C7	C6	H7B	120.3°	120.0°
N8	C7	C6	H7A	120.3°	120.1°
N8	C7	C6	C5	171.7°	180.0°
N8	C7	C6	H6B	51.0°	60.1°
N8	C7	C6	H6A	67.6°	60.0°
N8	C7	H7B	H7A	119.2°	120.1°
C7	N8	H8B	H8A	120.0°	123.9°
C7	C6	C5	H6B	120.7°	120.0°
C7	C6	C5	H6A	120.7°	120.0°
C7	C6	C5	C4	109.1°	90.0°
C7	C6	C5	S9	70.9°	90.0°
C7	C6	H6B	H6A	118.0°	120.0°
C6	C7	H7B	H7A	119.1°	120.0°
C6	C7	N8	H8B	180.0°	180.0°
C6	C7	N8	H8A	60.0°	56.1°
C6	C5	C4	S9	180.0°	180.0°
C6	C5	C4	C3	180.0°	180.0°
C6	C5	S9	C2	179.9°	179.9°
C6	C5	C4	H4	0.0°	0.2°
C5	C6	H6B	H6A	118.0°	120.1°
C5	C6	C7	H7B	68.0°	60.0°
C5	C6	C7	H7A	51.4°	60.0°
C5	C4	C3	H4	180.0°	179.8°
C5	C4	C3	C2	0.2°	0.2°
C4	C5	S9	C2	0.2°	0.2°
C4	C5	C6	H6B	11.6°	150.0°
C4	C5	C6	H6A	130.2°	30.0°
C5	C4	C3	H3	179.8°	179.7°
S9	C5	C4	C3	0.0°	0.0°
C5	S9	C2	C3	0.3°	0.3°
C5	S9	C2	C1	175.2°	179.9°
S9	C5	C4	H4	179.9°	179.8°
S9	C5	C6	H6B	168.4°	30.0°
S9	C5	C6	H6A	49.7°	150.1°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	S9	0.3°	0.3°
C4	C3	C2	C1	174.7°	180.0°
C3	C2	S9	C1	175.4°	179.7°
C2	C3	C4	H4	179.9°	180.0°
C3	C2	C1	H1A	174.5°	89.9°
C3	C2	C1	H1C	54.5°	150.0°
C3	C2	C1	H1B	65.5°	30.0°
S9	C2	C1	H1A	0.0°	90.4°
S9	C2	C1	H1C	120.0°	29.6°
S9	C2	C1	H1B	120.0°	149.6°
S9	C2	C3	H3	179.7°	179.6°
C2	C1	H1A	H1C	120.0°	119.9°
C2	C1	H1A	H1B	120.0°	120.0°
C2	C1	H1C	H1B	120.0°	120.0°
C1	C2	C3	H3	5.3°	0.1°
H4	C4	C3	H3	0.1°	0.1°
H6B	C6	C7	H7B	171.3°	179.9°
H6B	C6	C7	H7A	69.3°	60.0°
H6A	C6	C7	H7B	52.7°	60.0°
H6A	C6	C7	H7A	172.1°	180.0°
H7B	C7	N8	H8B	59.7°	60.1°
H7B	C7	N8	H8A	60.3°	176.1°
H7A	C7	N8	H8B	59.7°	59.9°
H7A	C7	N8	H8A	179.7°	63.9°
H1A	C1	H1C	H1B	120.0°	120.1°

250835

PDB entries from 2026-03-18

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