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Summary Geometry Related PDB entries

A1EFF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	C3	sing	1.40Å	1.40Å	Aromatic
C2	N2	doub	1.31Å	1.33Å	Aromatic
C3	C4	doub	1.35Å	1.37Å	Aromatic
N2	N1	sing	1.40Å	1.37Å	Aromatic
N1	C4	sing	1.35Å	1.36Å	Aromatic
N1	C6	sing	1.47Å	1.46Å
C4	C5	sing	1.51Å	1.49Å
O1	C5	sing	1.43Å	1.42Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	128.7°	125.9°
C1	C2	N2	120.2°	126.0°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.5°
C2	C1	H8	109.5°	109.5°
C3	C2	N2	111.1°	108.2°
C2	C3	C4	106.3°	108.0°
C2	C3	H9	126.9°	126.1°
C2	N2	N1	104.7°	108.2°
C3	C4	N1	106.1°	107.7°
C3	C4	C5	130.8°	126.2°
C4	C3	H9	126.9°	126.0°
N2	N1	C4	111.8°	107.9°
N2	N1	C6	120.4°	126.0°
C4	N1	C6	127.8°	126.0°
N1	C4	C5	123.1°	126.1°
N1	C6	H3	109.5°	109.4°
N1	C6	H4	109.5°	109.5°
N1	C6	H5	109.5°	109.5°
C4	C5	O1	113.6°	109.4°
C4	C5	H1	108.4°	109.5°
C4	C5	H2	108.4°	109.5°
O1	C5	H1	108.4°	109.4°
O1	C5	H2	108.4°	109.5°
C5	O1	H10	109.5°	114.0°
H1	C5	H2	109.5°	109.5°
H3	C6	H4	109.5°	109.4°
H3	C6	H5	109.4°	109.5°
H4	C6	H5	109.4°	109.5°
H6	C1	H7	109.4°	109.4°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N2	179.7°	179.7°
C1	C2	C3	C4	179.6°	180.0°
C1	C2	N2	N1	179.7°	179.8°
C2	C1	H6	H7	120.0°	119.9°
C2	C1	H6	H8	120.0°	120.1°
C2	C1	H7	H8	120.0°	120.0°
C1	C2	C3	H9	0.4°	0.3°
C2	C3	C4	H9	180.0°	179.7°
C3	C2	N2	N1	0.0°	0.5°
C2	C3	C4	N1	0.1°	0.0°
C2	C3	C4	C5	178.7°	180.0°
C3	C2	C1	H6	179.6°	90.1°
C3	C2	C1	H7	59.6°	150.0°
C3	C2	C1	H8	60.4°	30.0°
N2	C2	C3	C4	0.1°	0.3°
C2	N2	N1	C4	0.1°	0.5°
C2	N2	N1	C6	179.5°	179.8°
N2	C2	C1	H6	0.0°	90.3°
N2	C2	C1	H7	120.0°	29.6°
N2	C2	C1	H8	120.0°	149.6°
N2	C2	C3	H9	179.9°	180.0°
C3	C4	N1	N2	0.2°	0.3°
C3	C4	N1	C5	178.7°	180.0°
C3	C4	N1	C6	179.5°	180.0°
C3	C4	C5	O1	74.2°	0.0°
C3	C4	C5	H1	165.2°	120.0°
C3	C4	C5	H2	46.4°	120.0°
N2	N1	C4	C6	179.3°	179.7°
N2	N1	C4	C5	178.9°	179.8°
N2	N1	C6	H3	0.0°	89.7°
N2	N1	C6	H4	120.0°	30.3°
N2	N1	C6	H5	120.0°	150.3°
N1	C4	C5	O1	107.4°	180.0°
N1	C4	C5	H1	13.2°	60.1°
N1	C4	C5	H2	132.0°	60.0°
C4	N1	C6	H3	179.3°	90.0°
C4	N1	C6	H4	60.7°	150.0°
C4	N1	C6	H5	59.3°	30.0°
N1	C4	C3	H9	179.9°	179.7°
C6	N1	C4	C5	1.8°	0.0°
N1	C6	H3	H4	120.0°	120.0°
N1	C6	H3	H5	120.0°	120.0°
N1	C6	H4	H5	120.0°	120.1°
C4	C5	O1	H1	120.6°	120.0°
C4	C5	O1	H2	120.6°	120.0°
C4	C5	H1	H2	118.1°	120.0°
C5	C4	C3	H9	1.3°	0.3°
C4	C5	O1	H10	180.0°	180.0°
O1	C5	H1	H2	118.1°	120.1°
H1	C5	O1	H10	59.4°	60.1°
H2	C5	O1	H10	59.4°	60.0°
H3	C6	H4	H5	119.9°	120.0°
H6	C1	H7	H8	120.0°	120.0°

248335

PDB entries from 2026-01-28

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