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Summary Geometry Related PDB entries

DNQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.22Å
O2	C2	doub	1.21Å	1.22Å
C1	C2	sing	1.50Å	1.53Å
C1	N1	sing	1.35Å	1.36Å
C2	N2	sing	1.35Å	1.36Å
N1	C3	doub	1.32Å	1.38Å
N2	C4	doub	1.32Å	1.39Å
C3	C4	sing	1.49Å	1.40Å	Aromatic
C3	C5	sing	1.42Å	1.39Å	Aromatic
C4	C6	sing	1.42Å	1.38Å	Aromatic
C5	C7	doub	1.35Å	1.38Å	Aromatic
C5	H51	sing	1.08Å	1.10Å
C6	C8	doub	1.35Å	1.38Å	Aromatic
C6	H61	sing	1.08Å	1.10Å
C7	C8	sing	1.41Å	1.40Å	Aromatic
C7	N3	sing	1.48Å	1.48Å
C8	N4	sing	1.48Å	1.46Å
N3	O3	sing	1.22Å	1.22Å
N3	O5	doub	1.22Å	1.22Å
N4	O4	sing	1.22Å	1.22Å
N4	O6	doub	1.22Å	1.21Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	124.9°	120.2°
O1	C1	N1	118.3°	120.2°
O2	C2	C1	120.1°	120.2°
O2	C2	N2	122.6°	120.2°
C2	C1	N1	116.5°	119.5°
C1	C2	N2	116.7°	119.5°
C1	N1	C3	124.4°	119.9°
C2	N2	C4	123.9°	119.9°
N1	C3	C4	119.2°	120.6°
N1	C3	C5	119.9°	121.0°
N2	C4	C3	119.3°	120.6°
N2	C4	C6	120.1°	120.9°
C4	C3	C5	120.8°	118.5°
C3	C4	C6	120.4°	118.5°
C3	C5	C7	118.8°	119.6°
C3	C5	H51	121.1°	120.2°
C4	C6	C8	118.5°	119.6°
C4	C6	H61	120.7°	120.2°
C7	C5	H51	120.1°	120.2°
C5	C7	C8	120.0°	121.9°
C5	C7	N3	116.8°	119.1°
C8	C6	H61	120.8°	120.2°
C6	C8	C7	121.5°	121.9°
C6	C8	N4	117.0°	119.1°
C8	C7	N3	120.9°	119.0°
C7	C8	N4	121.5°	119.0°
C7	N3	O3	117.5°	120.0°
C7	N3	O5	117.6°	120.0°
C8	N4	O4	121.8°	120.0°
C8	N4	O6	114.7°	120.0°
O3	N3	O5	124.1°	120.0°
O4	N4	O6	123.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O2	2.1°	0.0°
O1	C1	C2	N1	173.8°	180.0°
O1	C1	C2	N2	173.9°	180.0°
O1	C1	N1	C3	174.3°	180.0°
O2	C2	C1	N2	171.8°	179.9°
O2	C2	C1	N1	171.7°	179.9°
O2	C2	N2	C4	171.2°	180.0°
C2	C1	N1	C3	0.1°	0.1°
C1	C2	N2	C4	0.3°	0.0°
N1	C1	C2	N2	0.1°	0.0°
C1	N1	C3	C4	0.2°	0.1°
C1	N1	C3	C5	175.5°	179.9°
C2	N2	C4	C3	0.5°	0.0°
C2	N2	C4	C6	175.1°	180.0°
N1	C3	C4	N2	0.4°	0.0°
N1	C3	C4	C5	175.7°	180.0°
N1	C3	C4	C6	175.1°	179.9°
N1	C3	C5	C7	175.1°	180.0°
N1	C3	C5	H51	4.9°	0.0°
N2	C4	C3	C6	174.6°	179.9°
N2	C4	C3	C5	175.2°	180.0°
N2	C4	C6	C8	175.1°	179.8°
N2	C4	C6	H61	4.9°	0.0°
C4	C3	C5	C7	0.5°	0.0°
C4	C3	C5	H51	179.4°	180.0°
C3	C4	C6	C8	0.5°	0.2°
C3	C4	C6	H61	179.5°	180.0°
C5	C3	C4	C6	0.6°	0.1°
C3	C5	C7	H51	179.9°	179.9°
C3	C5	C7	C8	0.3°	0.2°
C3	C5	C7	N3	163.4°	180.0°
C4	C6	C8	H61	180.0°	179.8°
C4	C6	C8	C7	0.3°	0.4°
C4	C6	C8	N4	178.4°	180.0°
C5	C7	C8	C6	0.2°	0.4°
C5	C7	C8	N3	162.4°	179.8°
C5	C7	C8	N4	178.3°	179.9°
C5	C7	N3	O3	3.8°	85.2°
C5	C7	N3	O5	173.9°	95.0°
H51	C5	C7	C8	179.6°	179.7°
H51	C5	C7	N3	16.5°	0.0°
C6	C8	C7	N4	178.1°	179.6°
C6	C8	C7	N3	162.7°	179.8°
C6	C8	N4	O4	98.0°	5.4°
C6	C8	N4	O6	80.9°	174.6°
H61	C6	C8	C7	179.7°	179.8°
H61	C6	C8	N4	1.6°	0.2°
C8	C7	N3	O3	166.8°	95.0°
C8	C7	N3	O5	23.1°	84.7°
C7	C8	N4	O4	80.1°	174.9°
C7	C8	N4	O6	100.9°	5.0°
N3	C7	C8	N4	19.3°	0.2°
C7	N3	O3	O5	169.4°	179.7°
C8	N4	O4	O6	178.8°	180.0°

221716

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