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Summary Geometry Related PDB entries

JP2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C1	sing	1.36Å	1.35Å
C1	N2	doub	1.32Å	1.35Å
C1	N1	sing	1.37Å	1.35Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C2	O1	doub	1.22Å	1.28Å
C3	C2	sing	1.48Å	1.44Å
C2	N2	sing	1.34Å	1.32Å
O2	C7	sing	1.35Å	1.27Å
O2	HO2	sing	0.97Å	0.95Å
N5	C3	doub	1.32Å	1.39Å	Aromatic
C4	C3	sing	1.41Å	1.43Å	Aromatic
C4	N3	sing	1.38Å	1.38Å
N3	HN3	sing	0.97Å	1.00Å
O3	C7	doub	1.21Å	1.24Å
N4	C4	doub	1.32Å	1.34Å	Aromatic
C5	N4	sing	1.33Å	1.38Å	Aromatic
C7	C5	sing	1.48Å	1.44Å
C5	C6	doub	1.40Å	1.46Å	Aromatic
C6	N5	sing	1.32Å	1.34Å	Aromatic
C6	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C1	N2	124.4°	123.0°
N3	C1	N1	116.7°	118.5°
C1	N3	C4	122.0°	120.4°
C1	N3	HN3	119.0°	119.8°
N2	C1	N1	118.9°	118.5°
C1	N2	C2	115.8°	121.7°
C1	N1	HN1	120.0°	119.9°
C1	N1	HN1A	120.0°	120.0°
HN1	N1	HN1A	120.0°	120.1°
O1	C2	C3	115.2°	120.9°
O1	C2	N2	119.9°	120.8°
C3	C2	N2	124.9°	118.4°
C2	C3	N5	124.4°	121.7°
C2	C3	C4	116.5°	118.0°
C7	O2	HO2	109.5°	117.0°
O2	C7	O3	121.8°	120.0°
O2	C7	C5	116.8°	120.0°
N5	C3	C4	119.1°	120.3°
C3	N5	C6	118.2°	119.6°
C3	C4	N3	116.3°	118.5°
C3	C4	N4	124.1°	119.8°
C4	N3	HN3	119.0°	119.8°
N3	C4	N4	119.5°	121.7°
O3	C7	C5	121.2°	120.0°
C4	N4	C5	115.7°	119.6°
N4	C5	C7	118.7°	119.8°
N4	C5	C6	121.5°	120.3°
C7	C5	C6	119.7°	119.9°
C5	C6	N5	120.6°	120.3°
C5	C6	H6	119.7°	119.8°
N5	C6	H6	119.7°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C1	N2	N1	177.0°	179.8°
N3	C1	N1	HN1	177.2°	179.8°
N3	C1	N1	HN1A	2.8°	0.3°
N3	C1	N2	C2	1.9°	0.2°
C1	N3	C4	C3	1.8°	0.0°
C1	N3	C4	HN3	180.0°	179.9°
C1	N3	C4	N4	174.3°	179.8°
N2	C1	N1	HN1	0.0°	0.0°
N2	C1	N1	HN1A	180.0°	180.0°
C1	N2	C2	O1	179.1°	180.0°
C1	N2	C2	C3	3.9°	0.4°
N2	C1	N3	C4	0.9°	0.1°
N2	C1	N3	HN3	179.1°	180.0°
C1	N1	HN1	HN1A	180.0°	179.9°
N1	C1	N2	C2	178.9°	179.9°
N1	C1	N3	C4	176.1°	179.7°
N1	C1	N3	HN3	3.9°	0.2°
O1	C2	C3	N2	177.1°	179.6°
O1	C2	C3	N5	3.3°	0.0°
O1	C2	C3	C4	179.9°	180.0°
C2	C3	N5	C4	176.5°	180.0°
C2	C3	C4	N3	0.0°	0.2°
C2	C3	C4	N4	175.9°	180.0°
C2	C3	N5	C6	174.5°	180.0°
N2	C2	C3	N5	179.6°	179.6°
N2	C2	C3	C4	3.0°	0.4°
O2	C7	O3	C5	174.6°	180.0°
O2	C7	C5	N4	1.8°	0.0°
O2	C7	C5	C6	176.9°	180.0°
HO2	O2	C7	O3	0.0°	0.0°
HO2	O2	C7	C5	174.8°	180.0°
N5	C3	C4	N3	176.8°	179.8°
N5	C3	C4	N4	7.3°	0.0°
C3	N5	C6	C5	3.5°	0.1°
C3	N5	C6	H6	176.5°	180.0°
C3	C4	N3	N4	176.1°	179.8°
C3	C4	N3	HN3	178.2°	179.9°
C3	C4	N4	C5	0.5°	0.0°
C4	C3	N5	C6	9.0°	0.1°
N3	C4	N4	C5	175.2°	179.8°
HN3	N3	C4	N4	5.7°	0.2°
O3	C7	C5	N4	176.7°	180.0°
O3	C7	C5	C6	8.2°	0.1°
C4	N4	C5	C7	178.7°	180.0°
C4	N4	C5	C6	6.3°	0.0°
N4	C5	C7	C6	175.1°	179.9°
N4	C5	C6	N5	4.5°	0.0°
N4	C5	C6	H6	175.5°	180.0°
C7	C5	C6	N5	179.5°	179.9°
C7	C5	C6	H6	0.5°	0.0°
C5	C6	N5	H6	180.0°	180.0°

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