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Summary Geometry Related PDB entries

A1AXV

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	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C6	N1	sing	1.40Å	1.43Å
N1	C7	sing	1.35Å	1.34Å
C7	N2	sing	1.35Å	1.33Å
C7	S1	doub	1.71Å	1.70Å
C6	C8	doub	1.39Å	1.39Å	Aromatic
C2	C8	sing	1.38Å	1.40Å	Aromatic
N1	H7	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.4°	120.0°
C1	C2	C8	120.8°	119.9°
C2	C1	H3	109.5°	109.4°
C2	C1	H2	109.4°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C3	C4	120.9°	120.1°
C3	C2	C8	118.8°	120.1°
C2	C3	H4	119.5°	120.0°
C3	C4	C5	120.1°	120.0°
C3	C4	H5	120.0°	119.9°
C4	C3	H4	119.5°	119.9°
C4	C5	C6	120.1°	119.9°
C5	C4	H5	120.0°	120.0°
C4	C5	H6	120.0°	120.0°
C5	C6	N1	117.3°	120.0°
C5	C6	C8	119.6°	119.9°
C6	C5	H6	120.0°	120.1°
C6	N1	C7	128.1°	120.0°
N1	C6	C8	123.1°	120.1°
C6	N1	H7	115.9°	120.0°
N1	C7	N2	118.0°	120.0°
N1	C7	S1	120.0°	120.0°
C7	N1	H7	115.9°	120.0°
N2	C7	S1	121.8°	120.0°
C7	N2	H9	120.0°	120.0°
C7	N2	H8	120.0°	119.9°
C6	C8	C2	120.6°	119.9°
C6	C8	H10	119.7°	120.1°
C2	C8	H10	119.7°	120.0°
H3	C1	H2	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H2	C1	H1	109.5°	109.5°
H9	N2	H8	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C8	179.7°	179.5°
C1	C2	C3	C4	179.4°	180.0°
C1	C2	C8	C6	179.5°	179.7°
C1	C2	C8	H10	0.5°	0.2°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H1	120.0°	119.9°
C2	C1	H2	H1	120.0°	120.0°
C1	C2	C3	H4	0.6°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.5°
C3	C2	C8	C6	0.2°	0.2°
C2	C3	C4	H5	179.7°	179.8°
C3	C2	C8	H10	179.8°	179.7°
C3	C2	C1	H3	89.9°	90.0°
C3	C2	C1	H2	150.1°	150.0°
C3	C2	C1	H1	30.1°	30.0°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	C6	0.2°	0.2°
C4	C3	C2	C8	0.3°	0.5°
C3	C4	C5	H6	179.8°	179.8°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	N1	179.3°	180.0°
C4	C5	C6	C8	0.1°	0.0°
C5	C4	C3	H4	179.7°	179.4°
C5	C6	N1	C8	179.3°	180.0°
C5	C6	N1	C7	126.4°	138.3°
C5	C6	C8	C2	0.1°	0.0°
C5	C6	N1	H7	53.6°	42.0°
C6	C5	C4	H5	179.8°	179.9°
C5	C6	C8	H10	179.9°	180.0°
C6	N1	C7	H7	180.0°	179.7°
C6	N1	C7	N2	7.2°	174.4°
C6	N1	C7	S1	167.4°	5.6°
N1	C6	C8	C2	179.2°	180.0°
N1	C6	C5	H6	0.7°	0.0°
N1	C6	C8	H10	0.7°	0.1°
N1	C7	N2	S1	174.4°	180.0°
C7	N1	C6	C8	54.3°	41.7°
N1	C7	N2	H9	174.4°	0.0°
N1	C7	N2	H8	5.6°	180.0°
N2	C7	N1	H7	172.9°	5.4°
C7	N2	H9	H8	180.0°	180.0°
S1	C7	N1	H7	12.6°	174.7°
S1	C7	N2	H9	0.0°	180.0°
S1	C7	N2	H8	180.0°	0.0°
C6	C8	C2	H10	180.0°	179.9°
C8	C6	N1	H7	125.7°	138.0°
C8	C6	C5	H6	179.9°	180.0°
C8	C2	C1	H3	89.8°	90.5°
C8	C2	C1	H2	30.2°	29.5°
C8	C2	C1	H1	150.1°	149.5°
C8	C2	C3	H4	179.7°	179.4°
H5	C4	C5	H6	0.2°	0.0°
H5	C4	C3	H4	0.3°	0.3°
H3	C1	H2	H1	120.0°	120.0°

248335

PDB entries from 2026-01-28

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