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Summary Geometry Related PDB entries

A1BMQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.47Å
C1	C2	sing	1.51Å	1.49Å
C2	N2	doub	1.30Å	1.29Å	Aromatic
N2	O1	sing	1.21Å	1.41Å	Aromatic
O1	C3	sing	1.34Å	1.34Å	Aromatic
C3	N3	doub	1.32Å	1.30Å	Aromatic
C3	C4	sing	1.48Å	1.45Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.38Å	1.37Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	F1	sing	1.35Å	1.35Å
C2	N3	sing	1.34Å	1.35Å	Aromatic
C4	C9	sing	1.40Å	1.39Å	Aromatic
N1	H2	sing	1.01Å	1.00Å
N1	H1	sing	1.01Å	1.00Å
C5	H5	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
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	114.3°	109.5°
C1	N1	H2	109.5°	111.1°
C1	N1	H1	109.5°	111.0°
N1	C1	H3	108.3°	109.4°
N1	C1	H4	108.3°	109.4°
C1	C2	N2	121.3°	126.2°
C1	C2	N3	123.0°	126.2°
C2	C1	H3	108.3°	109.5°
C2	C1	H4	108.2°	109.5°
C2	N2	O1	103.0°	110.6°
N2	C2	N3	115.8°	107.6°
N2	O1	C3	105.8°	109.6°
O1	C3	N3	112.9°	106.7°
O1	C3	C4	118.4°	126.7°
N3	C3	C4	128.7°	126.6°
C3	N3	C2	102.6°	105.5°
C3	C4	C5	119.8°	120.2°
C3	C4	C9	121.8°	120.1°
C4	C5	C6	119.8°	119.9°
C5	C4	C9	118.4°	119.7°
C4	C5	H5	120.1°	120.0°
C5	C6	C7	120.4°	120.2°
C6	C5	H5	120.1°	120.1°
C5	C6	H6	119.8°	119.9°
C6	C7	C8	120.6°	120.3°
C7	C6	H6	119.8°	119.9°
C6	C7	H7	119.7°	119.9°
C7	C8	C9	118.8°	120.1°
C8	C7	H7	119.7°	119.8°
C7	C8	H8	120.6°	120.0°
C8	C9	F1	117.9°	120.1°
C8	C9	C4	121.9°	119.7°
C9	C8	H8	120.6°	119.9°
F1	C9	C4	120.2°	120.2°
H2	N1	H1	109.5°	111.0°
H3	C1	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	H3	120.7°	120.0°
N1	C1	C2	H4	120.7°	120.0°
N1	C1	C2	N2	144.6°	90.0°
N1	C1	C2	N3	36.3°	90.0°
C1	N1	H2	H1	120.0°	124.0°
N1	C1	H3	H4	117.8°	120.0°
C1	C2	N2	N3	179.2°	180.0°
C1	C2	N2	O1	179.8°	180.0°
C1	C2	N3	C3	179.6°	180.0°
C2	C1	N1	H2	180.0°	179.9°
C2	C1	N1	H1	60.0°	56.0°
C2	C1	H3	H4	117.8°	120.0°
C2	N2	O1	C3	0.4°	0.0°
N2	C2	N3	C3	0.5°	0.0°
N2	C2	C1	H3	94.7°	30.0°
N2	C2	C1	H4	23.9°	150.0°
N2	O1	C3	N3	0.2°	0.0°
N2	O1	C3	C4	179.0°	180.0°
O1	N2	C2	N3	0.6°	0.0°
O1	C3	N3	C4	179.1°	180.0°
O1	C3	C4	C5	175.0°	0.1°
O1	C3	N3	C2	0.1°	0.0°
O1	C3	C4	C9	6.3°	179.7°
N3	C3	C4	C5	5.9°	180.0°
N3	C3	C4	C9	172.8°	0.3°
C3	C4	C5	C9	178.7°	179.8°
C3	C4	C5	C6	179.6°	179.7°
C3	C4	C9	C8	179.6°	179.7°
C3	C4	C9	F1	1.2°	0.3°
C4	C3	N3	C2	179.3°	180.0°
C3	C4	C5	H5	0.4°	0.2°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.7°	0.0°
C5	C4	C9	C8	0.8°	0.0°
C5	C4	C9	F1	179.9°	179.9°
C4	C5	C6	H6	179.3°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.4°	0.0°
C6	C5	C4	C9	0.9°	0.0°
C5	C6	C7	H7	179.6°	179.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.3°	0.0°
C7	C6	C5	H5	179.3°	180.0°
C6	C7	C8	H8	179.7°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	F1	179.9°	179.9°
C7	C8	C9	C4	0.6°	0.0°
C8	C7	C6	H6	179.6°	180.0°
C8	C9	F1	C4	179.3°	180.0°
C9	C8	C7	H7	179.7°	180.0°
F1	C9	C8	H8	0.2°	0.1°
N3	C2	C1	H3	84.4°	150.0°
N3	C2	C1	H4	157.0°	30.0°
C9	C4	C5	H5	179.1°	180.0°
C4	C9	C8	H8	179.4°	180.0°
H2	N1	C1	H3	59.3°	60.0°
H2	N1	C1	H4	59.3°	60.0°
H1	N1	C1	H3	60.7°	64.0°
H1	N1	C1	H4	179.3°	176.0°
H5	C5	C6	H6	0.7°	0.0°
H6	C6	C7	H7	0.4°	0.1°
H7	C7	C8	H8	0.3°	0.1°

248335

PDB entries from 2026-01-28

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