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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	N2	sing	1.21Å	1.42Å	Aromatic
O1	C2	sing	1.34Å	1.34Å	Aromatic
N2	C3	doub	1.31Å	1.30Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C2	N1	doub	1.31Å	1.29Å	Aromatic
C3	C4	sing	1.48Å	1.46Å
C3	N1	sing	1.35Å	1.37Å	Aromatic
C1	N3	sing	1.47Å	1.48Å
C9	C4	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
N3	H9	sing	1.01Å	1.00Å
N3	H10	sing	1.01Å	1.00Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C9	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	O1	C2	106.3°	110.0°
O1	N2	C3	103.8°	110.1°
O1	C2	C1	120.0°	126.4°
O1	C2	N1	112.3°	107.1°
N2	C3	C4	122.8°	126.4°
N2	C3	N1	113.3°	107.2°
C1	C2	N1	127.7°	126.4°
C2	C1	N3	112.4°	109.5°
C2	C1	H1	108.7°	109.5°
C2	C1	H2	108.7°	109.5°
C2	N1	C3	104.3°	105.6°
C4	C3	N1	123.9°	126.4°
C3	C4	C9	120.4°	120.1°
C3	C4	C5	120.9°	120.1°
C1	N3	H9	109.5°	111.0°
C1	N3	H10	109.5°	111.0°
N3	C1	H1	108.7°	109.5°
N3	C1	H2	108.7°	109.4°
C4	C9	C8	120.8°	119.9°
C9	C4	C5	118.7°	119.7°
C4	C9	H7	119.6°	120.0°
C9	C8	C7	119.9°	120.1°
C9	C8	H6	120.0°	120.0°
C8	C9	H7	119.6°	120.1°
C4	C5	C6	120.6°	119.9°
C4	C5	H3	119.7°	120.0°
C8	C7	C6	120.0°	120.2°
C8	C7	H5	120.0°	119.9°
C7	C8	H6	120.0°	119.9°
C5	C6	C7	120.0°	120.1°
C6	C5	H3	119.7°	120.0°
C5	C6	H4	120.0°	120.0°
C7	C6	H4	120.0°	119.9°
C6	C7	H5	120.0°	119.9°
H9	N3	H10	109.5°	111.1°
H1	C1	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	O1	C2	C1	178.5°	180.0°
N2	O1	C2	N1	0.7°	0.0°
O1	N2	C3	C4	179.8°	180.0°
O1	N2	C3	N1	0.9°	0.1°
C2	O1	N2	C3	0.9°	0.1°
O1	C2	C1	N1	179.0°	180.0°
O1	C2	N1	C3	0.1°	0.0°
O1	C2	C1	N3	140.5°	90.0°
O1	C2	C1	H1	99.0°	149.9°
O1	C2	C1	H2	20.1°	30.0°
N2	C3	N1	C2	0.5°	0.0°
N2	C3	C4	N1	179.2°	179.9°
N2	C3	C4	C9	25.7°	179.7°
N2	C3	C4	C5	154.5°	0.0°
C1	C2	N1	C3	179.0°	180.0°
C2	C1	N3	H1	120.4°	120.1°
C2	C1	N3	H2	120.4°	120.0°
C2	C1	N3	H9	180.0°	56.0°
C2	C1	N3	H10	60.0°	180.0°
C2	C1	H1	H2	118.7°	120.0°
C2	N1	C3	C4	179.8°	180.0°
N1	C2	C1	N3	38.5°	90.0°
N1	C2	C1	H1	81.9°	30.0°
N1	C2	C1	H2	158.9°	150.0°
C3	C4	C9	C5	179.8°	179.7°
C3	C4	C9	C8	179.6°	179.8°
C3	C4	C5	C6	179.7°	180.0°
C3	C4	C5	H3	0.4°	0.0°
C3	C4	C9	H7	0.4°	0.3°
N1	C3	C4	C9	153.5°	0.3°
N1	C3	C4	C5	26.3°	179.9°
C1	N3	H9	H10	120.0°	124.0°
N3	C1	H1	H2	118.6°	120.0°
C4	C9	C8	H7	180.0°	179.5°
C4	C9	C8	C7	0.7°	0.4°
C9	C4	C5	C6	0.5°	0.3°
C9	C4	C5	H3	179.5°	179.7°
C4	C9	C8	H6	179.3°	179.8°
C8	C9	C4	C5	0.3°	0.5°
C9	C8	C7	H6	180.0°	179.8°
C9	C8	C7	C6	0.4°	0.2°
C9	C8	C7	H5	179.6°	179.7°
C4	C5	C6	H3	180.0°	180.0°
C4	C5	C6	C7	0.8°	0.0°
C4	C5	C6	H4	179.2°	180.0°
C5	C4	C9	H7	179.8°	180.0°
C8	C7	C6	C5	0.3°	0.1°
C8	C7	C6	H5	180.0°	179.9°
C8	C7	C6	H4	179.7°	180.0°
C7	C8	C9	H7	179.3°	179.9°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	H5	179.7°	180.0°
C7	C6	C5	H3	179.2°	180.0°
C6	C7	C8	H6	179.6°	180.0°
H9	N3	C1	H1	59.5°	176.1°
H9	N3	C1	H2	59.6°	64.0°
H10	N3	C1	H1	179.6°	59.9°
H10	N3	C1	H2	60.5°	60.0°
H3	C5	C6	H4	0.8°	0.1°
H4	C6	C7	H5	0.3°	0.1°
H5	C7	C8	H6	0.4°	0.1°
H6	C8	C9	H7	0.7°	0.3°

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