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Summary Geometry Related PDB entries

A1AXG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C2	N1	sing	1.31Å	1.32Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C4	O1	sing	1.36Å	1.36Å
C4	C5	doub	1.41Å	1.43Å	Aromatic
C5	C6	sing	1.40Å	1.41Å	Aromatic
C5	C10	sing	1.42Å	1.42Å	Aromatic
C6	C7	doub	1.36Å	1.36Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C8	C9	doub	1.36Å	1.35Å	Aromatic
C9	F1	sing	1.35Å	1.35Å
C9	C10	sing	1.41Å	1.40Å	Aromatic
C10	N1	doub	1.34Å	1.37Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	119.4°	119.1°
C1	C2	N1	116.6°	119.1°
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
C3	C2	N1	123.9°	121.9°
C2	C3	C4	119.0°	119.7°
C2	C3	H3	120.5°	120.2°
C2	N1	C10	118.7°	121.6°
C3	C4	O1	122.5°	121.0°
C3	C4	C5	119.5°	117.9°
C4	C3	H3	120.5°	120.1°
O1	C4	C5	118.0°	121.1°
C4	O1	HO1	109.5°	114.0°
C4	C5	C6	123.6°	121.3°
C4	C5	C10	117.4°	119.0°
C6	C5	C10	119.0°	119.7°
C5	C6	C7	119.8°	119.7°
C5	C6	H6	120.1°	120.2°
C5	C10	C9	119.1°	119.1°
C5	C10	N1	121.5°	119.9°
C6	C7	C8	121.1°	120.8°
C7	C6	H6	120.1°	120.2°
C6	C7	H7	119.4°	119.6°
C7	C8	C9	120.4°	121.0°
C8	C7	H7	119.4°	119.6°
C7	C8	H8	119.8°	119.5°
C8	C9	F1	120.4°	120.2°
C8	C9	C10	120.5°	119.7°
C9	C8	H8	119.8°	119.5°
F1	C9	C10	119.1°	120.1°
C9	C10	N1	119.4°	121.0°
H11	C1	H12	109.4°	109.5°
H11	C1	H13	109.5°	109.4°
H12	C1	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N1	179.2°	179.9°
C1	C2	C3	C4	180.0°	179.9°
C1	C2	N1	C10	179.6°	180.0°
C2	C1	H11	H12	120.0°	120.1°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
C1	C2	C3	H3	0.0°	0.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	O1	179.7°	179.9°
C2	C3	C4	C5	0.2°	0.1°
C3	C2	N1	C10	1.2°	0.1°
C3	C2	C1	H11	179.3°	90.0°
C3	C2	C1	H12	59.3°	150.0°
C3	C2	C1	H13	60.7°	30.0°
N1	C2	C3	C4	0.8°	0.0°
C2	N1	C10	C5	0.7°	0.1°
C2	N1	C10	C9	179.4°	179.7°
N1	C2	C1	H11	0.0°	90.1°
N1	C2	C1	H12	120.0°	29.9°
N1	C2	C1	H13	120.0°	149.9°
N1	C2	C3	H3	179.2°	180.0°
C3	C4	O1	C5	179.8°	179.9°
C3	C4	C5	C6	179.8°	180.0°
C3	C4	C5	C10	0.5°	0.1°
C3	C4	O1	HO1	180.0°	90.0°
O1	C4	C5	C6	0.4°	0.1°
O1	C4	C5	C10	179.3°	179.9°
O1	C4	C3	H3	0.3°	0.1°
C4	C5	C6	C10	179.7°	180.0°
C4	C5	C6	C7	179.8°	180.0°
C4	C5	C10	C9	179.7°	179.8°
C4	C5	C10	N1	0.1°	0.0°
C5	C4	O1	HO1	0.2°	90.1°
C5	C4	C3	H3	179.9°	180.0°
C4	C5	C6	H6	0.2°	0.1°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.7°	0.0°
C6	C5	C10	C9	0.0°	0.3°
C6	C5	C10	N1	179.8°	179.9°
C5	C6	C7	H7	179.3°	180.0°
C10	C5	C6	C7	0.5°	0.0°
C5	C10	C9	C8	0.2°	0.6°
C5	C10	C9	F1	179.9°	180.0°
C5	C10	C9	N1	179.8°	179.8°
C10	C5	C6	H6	179.5°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.5°	0.3°
C6	C7	C8	H8	179.5°	179.9°
C7	C8	C9	H8	180.0°	179.6°
C7	C8	C9	F1	179.9°	180.0°
C7	C8	C9	C10	0.0°	0.6°
C8	C7	C6	H6	179.3°	180.0°
C8	C9	F1	C10	179.9°	179.4°
C8	C9	C10	N1	180.0°	179.7°
C9	C8	C7	H7	179.5°	179.7°
F1	C9	C10	N1	0.1°	0.2°
F1	C9	C8	H8	0.1°	0.4°
C10	C9	C8	H8	180.0°	179.8°
H11	C1	H12	H13	120.0°	119.9°
H6	C6	C7	H7	0.7°	0.0°
H7	C7	C8	H8	0.5°	0.0°

250059

PDB entries from 2026-03-04

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