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Summary Geometry Related PDB entries

A1AWQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.51Å	1.53Å
C1	O1	sing	1.43Å	1.40Å
C7	N3	doub	1.32Å	1.33Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
N3	C9	sing	1.33Å	1.36Å	Aromatic
O2	C2	doub	1.22Å	1.40Å
O1	C2	sing	1.35Å	1.18Å
C2	C3	sing	1.46Å	1.53Å
C6	C5	doub	1.37Å	1.39Å	Aromatic
C9	C3	doub	1.41Å	1.45Å	Aromatic
C9	N2	sing	1.37Å	1.29Å	Aromatic
C3	C4	sing	1.41Å	1.41Å	Aromatic
C5	N2	sing	1.37Å	1.36Å	Aromatic
C5	O3	sing	1.35Å	1.40Å
N2	N1	sing	1.40Å	1.37Å	Aromatic
C4	N1	doub	1.31Å	1.31Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	N3	120.7°	119.9°
C8	C7	C6	119.8°	119.9°
C7	C8	H7	109.5°	109.4°
C7	C8	H8	109.5°	109.5°
C7	C8	H9	109.5°	109.5°
C1	O1	C2	120.6°	117.0°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.4°	109.5°
O1	C1	H3	109.5°	109.5°
N3	C7	C6	119.5°	120.2°
C7	N3	C9	121.6°	121.0°
C7	C6	C5	117.4°	119.3°
C7	C6	H5	121.3°	120.4°
N3	C9	C3	132.4°	132.5°
N3	C9	N2	120.3°	120.8°
O2	C2	O1	120.2°	120.0°
O2	C2	C3	120.3°	120.0°
O1	C2	C3	119.5°	120.0°
C2	C3	C9	129.2°	126.5°
C2	C3	C4	126.5°	126.6°
C6	C5	N2	119.6°	119.0°
C6	C5	O3	120.2°	120.5°
C5	C6	H5	121.3°	120.3°
C3	C9	N2	107.3°	106.7°
C9	C3	C4	104.3°	106.9°
C9	N2	C5	121.6°	119.6°
C9	N2	N1	110.5°	108.2°
C3	C4	N1	108.1°	108.7°
C3	C4	H4	126.0°	125.6°
N2	C5	O3	120.2°	120.5°
C5	N2	N1	127.9°	132.2°
C5	O3	H6	109.5°	114.0°
N2	N1	C4	109.9°	109.6°
N1	C4	H4	126.0°	125.7°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H7	C8	H8	109.5°	109.5°
H7	C8	H9	109.5°	109.4°
H8	C8	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	N3	C6	179.9°	180.0°
C8	C7	N3	C9	180.0°	180.0°
C8	C7	C6	C5	179.9°	179.9°
C8	C7	C6	H5	0.1°	0.0°
C7	C8	H7	H8	120.0°	120.0°
C7	C8	H7	H9	120.0°	119.9°
C7	C8	H8	H9	120.0°	120.0°
C1	O1	C2	O2	0.2°	0.0°
C1	O1	C2	C3	179.5°	179.9°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.1°
O1	C1	H2	H3	120.0°	120.0°
N3	C7	C6	C5	0.0°	0.0°
C7	N3	C9	C3	179.7°	180.0°
C7	N3	C9	N2	0.2°	0.0°
N3	C7	C6	H5	180.0°	180.0°
N3	C7	C8	H7	0.0°	0.1°
N3	C7	C8	H8	120.0°	120.0°
N3	C7	C8	H9	120.0°	120.0°
C6	C7	N3	C9	0.1°	0.0°
C7	C6	C5	H5	180.0°	180.0°
C7	C6	C5	N2	0.0°	0.1°
C7	C6	C5	O3	180.0°	180.0°
C6	C7	C8	H7	179.9°	179.9°
C6	C7	C8	H8	60.1°	60.0°
C6	C7	C8	H9	59.9°	60.0°
N3	C9	C3	C2	0.8°	0.0°
N3	C9	C3	N2	179.9°	180.0°
N3	C9	C3	C4	179.6°	179.8°
N3	C9	N2	C5	0.2°	0.1°
N3	C9	N2	N1	179.9°	179.9°
O2	C2	O1	C3	179.7°	180.0°
O2	C2	C3	C9	22.3°	0.2°
O2	C2	C3	C4	156.3°	180.0°
O1	C2	C3	C9	158.0°	179.8°
O1	C2	C3	C4	23.4°	0.0°
C2	O1	C1	H1	180.0°	180.0°
C2	O1	C1	H2	60.0°	60.0°
C2	O1	C1	H3	60.0°	59.9°
C2	C3	C9	C4	178.8°	179.8°
C2	C3	C9	N2	179.3°	180.0°
C2	C3	C4	N1	179.4°	180.0°
C2	C3	C4	H4	0.6°	0.0°
C6	C5	N2	C9	0.1°	0.1°
C6	C5	N2	O3	180.0°	179.9°
C6	C5	N2	N1	180.0°	179.8°
C6	C5	O3	H6	180.0°	0.0°
C3	C9	N2	C5	179.7°	180.0°
C3	C9	N2	N1	0.2°	0.1°
C9	C3	C4	N1	0.6°	0.2°
C9	C3	C4	H4	179.4°	179.8°
N2	C9	C3	C4	0.5°	0.2°
C9	N2	C5	N1	179.9°	179.9°
C9	N2	C5	O3	179.9°	180.0°
C9	N2	N1	C4	0.2°	0.0°
C3	C4	N1	N2	0.5°	0.1°
C3	C4	N1	H4	180.0°	180.0°
C5	N2	N1	C4	179.9°	179.9°
N2	C5	C6	H5	180.0°	179.9°
N2	C5	O3	H6	0.0°	179.9°
O3	C5	N2	N1	0.0°	0.1°
O3	C5	C6	H5	0.0°	0.0°
N2	N1	C4	H4	179.5°	179.8°
H1	C1	H2	H3	120.0°	120.0°
H7	C8	H8	H9	120.0°	120.0°

248335

PDB entries from 2026-01-28

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