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Summary Geometry Related PDB entries

UQB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.47Å	1.49Å
C	C1	sing	1.53Å	1.52Å
O	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.51Å	1.52Å
C7	C2	doub	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.39Å	1.37Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.36Å	Aromatic
C5	F	sing	1.35Å	1.36Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
O	H6	sing	0.97Å	0.95Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
N	H9	sing	1.01Å	1.00Å
N	H10	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	110.7°	109.5°
N	C	H7	109.1°	109.5°
N	C	H8	109.2°	109.5°
C	N	H9	109.5°	111.0°
C	N	H10	109.5°	111.0°
C	C1	O	108.1°	109.5°
C	C1	C2	110.1°	109.5°
C	C1	H5	109.0°	109.4°
C1	C	H7	109.2°	109.4°
C1	C	H8	109.2°	109.5°
O	C1	C2	110.3°	109.5°
O	C1	H5	110.3°	109.5°
C1	O	H6	109.5°	114.0°
C1	C2	C7	120.8°	120.0°
C1	C2	C3	120.6°	119.9°
C2	C1	H5	109.0°	109.4°
C2	C7	C6	121.2°	120.0°
C7	C2	C3	118.7°	120.1°
C2	C7	H3	119.4°	120.0°
C7	C6	C5	117.9°	120.0°
C7	C6	H2	121.0°	120.1°
C6	C7	H3	119.4°	119.9°
C2	C3	C4	120.9°	120.0°
C2	C3	H4	119.6°	120.0°
C6	C5	C4	123.2°	119.9°
C6	C5	F	118.5°	120.0°
C5	C6	H2	121.1°	120.0°
C3	C4	C5	118.1°	120.0°
C3	C4	H1	120.9°	120.0°
C4	C3	H4	119.5°	120.0°
C4	C5	F	118.2°	120.0°
C5	C4	H1	120.9°	120.0°
H7	C	H8	109.5°	109.5°
H9	N	H10	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	H7	120.2°	120.0°
N	C	C1	H8	120.2°	120.0°
N	C	C1	O	73.8°	60.0°
N	C	C1	C2	165.6°	180.0°
N	C	C1	H5	46.1°	60.0°
N	C	H7	H8	119.4°	120.0°
C	N	H9	H10	120.0°	123.9°
C	C1	O	C2	120.5°	120.0°
C	C1	O	H5	119.1°	120.0°
C	C1	C2	H5	119.5°	119.9°
C	C1	C2	C7	91.4°	95.0°
C	C1	C2	C3	89.1°	85.3°
C	C1	O	H6	180.0°	60.1°
C1	C	H7	H8	119.4°	120.0°
C1	C	N	H9	180.0°	180.0°
C1	C	N	H10	60.0°	56.1°
O	C1	C2	H5	121.2°	120.0°
O	C1	C2	C7	27.9°	145.0°
O	C1	C2	C3	151.6°	34.7°
O	C1	C	H7	166.0°	60.0°
O	C1	C	H8	46.4°	180.0°
C1	C2	C7	C3	179.5°	179.7°
C1	C2	C7	C6	179.6°	180.0°
C1	C2	C3	C4	179.8°	179.7°
C1	C2	C7	H3	0.4°	0.3°
C1	C2	C3	H4	0.2°	0.0°
C2	C1	O	H6	59.5°	60.0°
C2	C1	C	H7	45.4°	60.1°
C2	C1	C	H8	74.2°	60.0°
C2	C7	C6	H3	180.0°	179.7°
C2	C7	C6	C5	0.4°	0.0°
C7	C2	C3	C4	0.3°	0.6°
C2	C7	C6	H2	179.7°	179.9°
C7	C2	C3	H4	179.7°	179.7°
C7	C2	C1	H5	149.1°	25.0°
C6	C7	C2	C3	0.1°	0.3°
C7	C6	C5	H2	180.0°	180.0°
C7	C6	C5	C4	0.6°	0.0°
C7	C6	C5	F	176.9°	180.0°
C2	C3	C4	H4	180.0°	179.7°
C2	C3	C4	C5	0.1°	0.5°
C2	C3	C4	H1	179.9°	179.8°
C3	C2	C7	H3	179.9°	180.0°
C3	C2	C1	H5	30.4°	154.7°
C6	C5	C4	C3	0.4°	0.3°
C6	C5	C4	F	177.5°	179.9°
C6	C5	C4	H1	179.6°	180.0°
C5	C6	C7	H3	179.6°	179.7°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	F	177.1°	179.8°
C4	C5	C6	H2	179.4°	179.9°
C5	C4	C3	H4	179.9°	179.8°
F	C5	C4	H1	2.9°	0.1°
F	C5	C6	H2	3.1°	0.0°
H1	C4	C3	H4	0.1°	0.1°
H2	C6	C7	H3	0.3°	0.2°
H5	C1	O	H6	60.9°	180.0°
H5	C1	C	H7	74.1°	180.0°
H5	C1	C	H8	166.3°	60.0°
H7	C	N	H9	59.8°	60.0°
H7	C	N	H10	60.2°	176.0°
H8	C	N	H9	59.8°	60.0°
H8	C	N	H10	179.8°	63.9°

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