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Summary Geometry Related PDB entries

WH4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.54Å
C1	C2	sing	1.53Å	1.53Å
N	C1	sing	1.46Å	1.47Å
C3	N	sing	1.40Å	1.39Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C6	N1	doub	1.32Å	1.37Å	Aromatic
N1	C7	sing	1.32Å	1.37Å	Aromatic
C7	C3	doub	1.39Å	1.43Å	Aromatic
C4	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.08Å	1.08Å
C7	H11	sing	1.08Å	1.08Å
N	H7	sing	0.97Å	1.00Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	110.8°	109.5°
C	C1	N	110.7°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.4°	109.5°
C1	C	H	109.5°	109.5°
C	C1	H3	109.0°	109.5°
C2	C1	N	107.3°	109.4°
C2	C1	H3	109.1°	109.4°
C1	C2	H5	109.5°	109.5°
C1	C2	H4	109.4°	109.5°
C1	C2	H6	109.5°	109.4°
C1	N	C3	124.1°	120.0°
C1	N	H7	105.7°	120.0°
N	C1	H3	109.9°	109.5°
N	C3	C4	122.1°	120.5°
N	C3	C7	119.6°	120.5°
C3	N	H7	105.7°	120.0°
C3	C4	C5	119.4°	118.4°
C4	C3	C7	118.3°	119.0°
C3	C4	H8	120.3°	120.8°
C4	C5	C6	119.8°	119.2°
C5	C4	H8	120.3°	120.8°
C4	C5	H9	120.1°	120.4°
C5	C6	N1	122.6°	120.9°
C6	C5	H9	120.1°	120.4°
C5	C6	H10	118.8°	119.5°
C6	N1	C7	117.1°	121.8°
N1	C6	H10	118.7°	119.6°
N1	C7	C3	122.9°	120.6°
N1	C7	H11	118.5°	119.7°
C3	C7	H11	118.5°	119.7°
H1	C	H2	109.5°	109.5°
H1	C	H	109.5°	109.4°
H2	C	H	109.5°	109.5°
H5	C2	H4	109.5°	109.5°
H5	C2	H6	109.5°	109.5°
H4	C2	H6	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N	121.0°	120.0°
C	C1	C2	H3	120.0°	120.0°
C	C1	N	H3	120.4°	120.0°
C	C1	N	C3	160.7°	85.0°
C	C1	N	H7	38.7°	94.9°
C1	C	H1	H2	120.0°	120.1°
C1	C	H1	H	120.0°	120.0°
C1	C	H2	H	120.0°	120.0°
C	C1	C2	H5	180.0°	180.0°
C	C1	C2	H4	60.0°	59.9°
C	C1	C2	H6	60.0°	60.0°
C2	C1	N	H3	118.6°	119.9°
C2	C1	N	C3	78.3°	155.0°
C2	C1	N	H7	159.7°	25.1°
C2	C1	C	H1	180.0°	59.9°
C2	C1	C	H2	60.0°	180.0°
C2	C1	C	H	60.0°	60.0°
C1	C2	H5	H4	120.0°	120.0°
C1	C2	H5	H6	120.0°	120.0°
C1	C2	H4	H6	120.0°	119.9°
C1	N	C3	H7	122.0°	179.9°
C1	N	C3	C4	42.9°	180.0°
C1	N	C3	C7	139.4°	0.1°
N	C1	C	H1	61.1°	179.9°
N	C1	C	H2	178.9°	60.0°
N	C1	C	H	58.9°	60.0°
N	C1	C2	H5	59.0°	60.0°
N	C1	C2	H4	61.0°	180.0°
N	C1	C2	H6	179.1°	60.0°
N	C3	C4	C7	177.7°	180.0°
N	C3	C4	C5	176.9°	180.0°
N	C3	C7	N1	176.9°	180.0°
N	C3	C4	H8	3.1°	0.0°
N	C3	C7	H11	3.1°	0.0°
C3	N	C1	H3	40.3°	35.1°
C3	C4	C5	H8	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C4	C3	C7	N1	0.8°	0.0°
C3	C4	C5	H9	179.8°	180.0°
C4	C3	C7	H11	179.2°	180.0°
C4	C3	N	H7	79.0°	0.0°
C4	C5	C6	H9	180.0°	179.9°
C4	C5	C6	N1	0.4°	0.1°
C5	C4	C3	C7	0.8°	0.0°
C4	C5	C6	H10	179.6°	180.0°
C5	C6	N1	H10	180.0°	179.9°
C5	C6	N1	C7	0.4°	0.1°
C6	C5	C4	H8	179.8°	180.0°
C6	N1	C7	C3	0.2°	0.0°
N1	C6	C5	H9	179.6°	180.0°
C6	N1	C7	H11	179.8°	180.0°
N1	C7	C3	H11	180.0°	180.0°
C7	N1	C6	H10	179.6°	180.0°
C7	C3	C4	H8	179.2°	180.0°
C7	C3	N	H7	98.6°	180.0°
H8	C4	C5	H9	0.2°	0.0°
H9	C5	C6	H10	0.4°	0.1°
H7	N	C1	H3	81.7°	145.0°
H1	C	H2	H	120.0°	119.9°
H1	C	C1	H3	59.9°	60.0°
H2	C	C1	H3	60.1°	60.0°
H	C	C1	H3	179.9°	179.9°
H3	C1	C2	H5	60.1°	60.0°
H3	C1	C2	H4	179.9°	60.1°
H3	C1	C2	H6	60.0°	180.0°
H5	C2	H4	H6	120.0°	120.0°

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PDB entries from 2024-07-10

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