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Summary Geometry Related PDB entries

A1AX2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	trip	1.17Å	1.17Å
C2	C3	sing	1.43Å	1.44Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C3	C10	sing	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.39Å	1.39Å	Aromatic
C7	N1	sing	1.40Å	1.42Å
C7	C10	doub	1.39Å	1.39Å	Aromatic
N1	C8	sing	1.35Å	1.36Å
C8	C9	sing	1.51Å	1.50Å
C8	O1	doub	1.21Å	1.23Å
C1	H1	sing	1.05Å	1.06Å
C10	H10	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C9	H92	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	179.0°	180.0°
C2	C1	H1	180.0°	180.0°
C2	C3	C4	121.3°	120.2°
C2	C3	C10	119.4°	120.1°
C4	C3	C10	119.3°	119.7°
C3	C4	C5	119.7°	120.0°
C3	C4	H4	120.2°	120.0°
C3	C10	C7	120.8°	119.8°
C3	C10	H10	119.6°	120.1°
C4	C5	C6	120.8°	120.2°
C5	C4	H4	120.2°	120.0°
C4	C5	H5	119.6°	119.9°
C5	C6	C7	119.8°	120.2°
C6	C5	H5	119.6°	119.9°
C5	C6	H6	120.1°	119.9°
C6	C7	N1	121.7°	120.0°
C6	C7	C10	119.5°	120.0°
C7	C6	H6	120.1°	119.9°
N1	C7	C10	118.7°	120.0°
C7	N1	C8	129.4°	120.0°
C7	N1	HN1	115.3°	120.0°
C7	C10	H10	119.6°	120.2°
N1	C8	C9	116.1°	120.0°
N1	C8	O1	122.6°	120.0°
C8	N1	HN1	115.3°	120.0°
C9	C8	O1	121.1°	120.0°
C8	C9	H92	109.5°	109.4°
C8	C9	H91	109.4°	109.5°
C8	C9	H93	109.5°	109.5°
H92	C9	H91	109.5°	109.5°
H92	C9	H93	109.4°	109.5°
H91	C9	H93	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C4	102.7°	79.8°
C1	C2	C3	C10	78.1°	100.2°
C2	C3	C4	C10	179.2°	180.0°
C2	C3	C4	C5	178.5°	180.0°
C2	C3	C10	C7	177.6°	179.8°
C3	C2	C1	H1	38.9°	53.3°
C2	C3	C10	H10	2.4°	0.0°
C2	C3	C4	H4	1.5°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.6°	0.0°
C4	C3	C10	C7	1.6°	0.2°
C4	C3	C10	H10	178.4°	180.0°
C3	C4	C5	H5	179.4°	180.0°
C10	C3	C4	C5	0.7°	0.0°
C3	C10	C7	C6	2.4°	0.5°
C3	C10	C7	N1	179.2°	180.0°
C3	C10	C7	H10	180.0°	179.8°
C10	C3	C4	H4	179.3°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	1.4°	0.2°
C4	C5	C6	H6	178.6°	180.0°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	N1	178.9°	180.0°
C5	C6	C7	C10	2.3°	0.5°
C6	C5	C4	H4	179.4°	180.0°
C6	C7	N1	C10	176.7°	179.5°
C6	C7	N1	C8	123.8°	144.9°
C6	C7	C10	H10	177.6°	179.8°
C7	C6	C5	H5	178.6°	179.8°
C6	C7	N1	HN1	56.3°	35.1°
C7	N1	C8	HN1	180.0°	180.0°
C7	N1	C8	C9	10.1°	175.4°
C7	N1	C8	O1	166.3°	4.6°
N1	C7	C10	H10	0.8°	0.2°
N1	C7	C6	H6	1.0°	0.2°
C10	C7	N1	C8	59.6°	35.5°
C10	C7	C6	H6	177.7°	179.8°
C10	C7	N1	HN1	120.4°	144.5°
N1	C8	C9	O1	176.5°	180.0°
N1	C8	C9	H92	176.5°	180.0°
N1	C8	C9	H91	63.5°	60.0°
N1	C8	C9	H93	56.5°	60.0°
C8	C9	H92	H91	120.0°	120.0°
C8	C9	H92	H93	120.0°	120.0°
C8	C9	H91	H93	120.0°	120.0°
C9	C8	N1	HN1	169.9°	4.6°
O1	C8	C9	H92	0.0°	0.0°
O1	C8	C9	H91	120.0°	120.0°
O1	C8	C9	H93	120.0°	120.0°
O1	C8	N1	HN1	13.6°	175.4°
H4	C4	C5	H5	0.6°	0.0°
H5	C5	C6	H6	1.4°	0.0°
H92	C9	H91	H93	120.0°	120.0°

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