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Summary Geometry Related PDB entries

J51

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.21Å	1.22Å
C1	C2	sing	1.51Å	1.50Å
C2	N1	sing	1.35Å	1.38Å
N1	C3	sing	1.35Å	1.38Å
O2	C3	doub	1.21Å	1.21Å
C3	O3	sing	1.35Å	1.36Å
O3	C4	sing	1.45Å	1.45Å
C4	C5	sing	1.51Å	1.51Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C5	C10	sing	1.38Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C1	122.2°	120.0°
O1	C2	N1	122.9°	119.9°
C1	C2	N1	114.9°	120.0°
C2	C1	H8	109.5°	109.4°
C2	C1	H9	109.5°	109.5°
C2	C1	H10	109.5°	109.4°
C2	N1	C3	129.9°	120.0°
C2	N1	H1	115.1°	119.9°
N1	C3	O2	125.8°	120.0°
N1	C3	O3	108.7°	120.0°
C3	N1	H1	115.1°	120.0°
O2	C3	O3	125.5°	120.0°
C3	O3	C4	118.2°	117.0°
O3	C4	C5	109.8°	109.5°
O3	C4	H2	109.4°	109.5°
O3	C4	H3	109.4°	109.5°
C4	C5	C6	120.8°	120.0°
C4	C5	C10	120.9°	120.0°
C5	C4	H2	109.4°	109.5°
C5	C4	H3	109.4°	109.5°
C5	C6	C7	120.8°	119.9°
C6	C5	C10	118.3°	120.0°
C5	C6	H4	119.6°	120.0°
C6	C7	C8	120.2°	120.0°
C7	C6	H4	119.6°	120.0°
C6	C7	H5	119.9°	120.0°
C5	C10	C9	120.7°	120.0°
C5	C10	H7	119.7°	120.0°
C7	C8	C9	119.6°	120.0°
C8	C7	H5	119.9°	120.0°
C7	C8	H6	120.2°	120.0°
C10	C9	C8	120.3°	120.0°
C9	C10	H7	119.6°	120.0°
C10	C9	H11	119.8°	120.0°
C9	C8	H6	120.2°	120.0°
C8	C9	H11	119.8°	120.0°
H2	C4	H3	109.5°	109.4°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.4°
H9	C1	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C1	N1	178.6°	179.9°
O1	C2	N1	C3	13.6°	0.0°
O1	C2	N1	H1	166.4°	179.7°
O1	C2	C1	H8	0.0°	180.0°
O1	C2	C1	H9	120.0°	59.9°
O1	C2	C1	H10	120.0°	60.1°
C1	C2	N1	C3	167.7°	180.0°
C1	C2	N1	H1	12.3°	0.3°
C2	C1	H8	H9	120.0°	120.0°
C2	C1	H8	H10	120.0°	119.9°
C2	C1	H9	H10	120.0°	120.0°
C2	N1	C3	H1	180.0°	179.7°
C2	N1	C3	O2	5.1°	0.2°
C2	N1	C3	O3	176.8°	179.7°
N1	C2	C1	H8	178.6°	0.1°
N1	C2	C1	H9	58.6°	120.0°
N1	C2	C1	H10	61.4°	120.0°
N1	C3	O2	O3	177.7°	179.9°
N1	C3	O3	C4	164.1°	180.0°
O2	C3	O3	C4	17.9°	0.0°
O2	C3	N1	H1	174.9°	180.0°
C3	O3	C4	C5	145.4°	180.0°
O3	C3	N1	H1	3.2°	0.0°
C3	O3	C4	H2	94.6°	60.0°
C3	O3	C4	H3	25.3°	60.0°
O3	C4	C5	H2	120.1°	120.0°
O3	C4	C5	H3	120.0°	120.0°
O3	C4	C5	C6	68.0°	89.7°
O3	C4	C5	C10	113.1°	90.0°
O3	C4	H2	H3	119.9°	120.0°
C4	C5	C6	C10	178.9°	179.7°
C4	C5	C6	C7	179.5°	180.0°
C4	C5	C10	C9	179.3°	179.8°
C5	C4	H2	H3	119.8°	120.0°
C4	C5	C6	H4	0.5°	0.1°
C4	C5	C10	H7	0.7°	0.0°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	C8	0.3°	0.0°
C6	C5	C10	C9	0.4°	0.5°
C6	C5	C4	H2	171.9°	30.3°
C6	C5	C4	H3	52.0°	150.3°
C5	C6	C7	H5	179.7°	179.9°
C6	C5	C10	H7	179.6°	179.7°
C7	C6	C5	C10	0.5°	0.3°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H6	179.9°	179.9°
C5	C10	C9	H7	180.0°	179.8°
C5	C10	C9	C8	0.0°	0.4°
C10	C5	C4	H2	7.0°	150.0°
C10	C5	C4	H3	126.9°	30.0°
C10	C5	C6	H4	179.5°	179.8°
C5	C10	C9	H11	180.0°	179.7°
C7	C8	C9	C10	0.3°	0.2°
C7	C8	C9	H6	180.0°	180.0°
C8	C7	C6	H4	179.7°	180.0°
C7	C8	C9	H11	179.7°	180.0°
C10	C9	C8	H11	180.0°	179.9°
C10	C9	C8	H6	179.7°	179.9°
C9	C8	C7	H5	179.9°	180.0°
C8	C9	C10	H7	180.0°	179.8°
H4	C6	C7	H5	0.3°	0.0°
H5	C7	C8	H6	0.1°	0.0°
H6	C8	C9	H11	0.3°	0.0°
H7	C10	C9	H11	0.1°	0.1°
H8	C1	H9	H10	120.0°	120.0°

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PDB entries from 2024-07-17

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