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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
O	C	sing	1.35Å	1.30Å
C	O1	doub	1.21Å	1.23Å
C	C1	sing	1.48Å	1.49Å
C5	C1	doub	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.40Å	1.39Å	Aromatic
C4	N	doub	1.32Å	1.34Å	Aromatic
C2	C3	doub	1.39Å	1.39Å	Aromatic
N	C3	sing	1.33Å	1.34Å	Aromatic
C3	C6	sing	1.48Å	1.47Å
C6	N1	doub	1.32Å	1.34Å	Aromatic
C6	C8	sing	1.41Å	1.40Å	Aromatic
N1	N2	sing	1.40Å	1.35Å	Aromatic
C8	C7	doub	1.35Å	1.37Å	Aromatic
N2	C7	sing	1.35Å	1.34Å	Aromatic
C5	H4	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
O	H1	sing	0.97Å	0.95Å
C8	H6	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
N2	H	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	122.9°	120.0°
O	C	C1	115.4°	120.0°
C	O	H1	109.5°	116.9°
O1	C	C1	121.3°	120.0°
C	C1	C5	120.7°	120.9°
C	C1	C2	120.1°	120.9°
C1	C5	C4	118.6°	119.2°
C5	C1	C2	118.7°	118.3°
C1	C5	H4	120.7°	120.4°
C5	C4	N	123.9°	121.1°
C4	C5	H4	120.7°	120.4°
C5	C4	H3	118.0°	119.5°
C1	C2	C3	118.4°	118.9°
C1	C2	H2	120.8°	120.6°
C4	N	C3	117.1°	121.9°
N	C4	H3	118.0°	119.4°
C2	C3	N	123.1°	120.7°
C2	C3	C6	121.1°	119.7°
C3	C2	H2	120.8°	120.5°
N	C3	C6	115.8°	119.6°
C3	C6	N1	121.1°	126.1°
C3	C6	C8	128.6°	126.0°
N1	C6	C8	109.9°	107.9°
C6	N1	N2	105.6°	108.1°
C6	C8	C7	105.4°	107.8°
C6	C8	H6	127.3°	126.1°
N1	N2	C7	111.6°	108.2°
N1	N2	H	124.2°	125.9°
C8	C7	N2	107.5°	107.9°
C7	C8	H6	127.3°	126.1°
C8	C7	H5	126.3°	126.0°
N2	C7	H5	126.3°	126.1°
C7	N2	H	124.2°	125.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	172.3°	180.0°
O	C	C1	C5	13.3°	0.0°
O	C	C1	C2	175.0°	180.0°
O1	C	C1	C5	159.5°	180.0°
O1	C	C1	C2	12.2°	0.0°
O1	C	O	H1	0.0°	0.0°
C	C1	C5	C2	171.8°	180.0°
C	C1	C5	C4	170.2°	180.0°
C	C1	C2	C3	173.6°	180.0°
C	C1	C5	H4	9.8°	0.2°
C	C1	C2	H2	6.3°	0.0°
C1	C	O	H1	172.7°	180.0°
C1	C5	C4	H4	180.0°	179.8°
C1	C5	C4	N	3.3°	0.1°
C5	C1	C2	C3	1.8°	0.0°
C5	C1	C2	H2	178.2°	180.0°
C1	C5	C4	H3	176.7°	180.0°
C4	C5	C1	C2	1.6°	0.0°
C5	C4	N	H3	180.0°	179.9°
C5	C4	N	C3	1.3°	0.1°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	N	3.9°	0.0°
C1	C2	C3	C6	177.7°	180.0°
C2	C1	C5	H4	178.4°	179.8°
C4	N	C3	C2	2.4°	0.1°
C4	N	C3	C6	179.1°	179.9°
N	C4	C5	H4	176.7°	179.7°
C2	C3	N	C6	178.5°	180.0°
C2	C3	C6	N1	155.4°	0.0°
C2	C3	C6	C8	16.1°	179.7°
N	C3	C6	N1	26.0°	179.9°
N	C3	C6	C8	162.4°	0.3°
N	C3	C2	H2	176.1°	180.0°
C3	N	C4	H3	178.7°	180.0°
C3	C6	N1	C8	173.0°	179.7°
C3	C6	N1	N2	173.2°	179.8°
C3	C6	C8	C7	172.8°	180.0°
C6	C3	C2	H2	2.3°	0.0°
C3	C6	C8	H6	7.2°	0.0°
N1	C6	C8	C7	0.5°	0.2°
C6	N1	N2	C7	0.3°	0.5°
N1	C6	C8	H6	179.5°	179.8°
C6	N1	N2	H	179.7°	179.8°
C8	C6	N1	N2	0.1°	0.4°
C6	C8	C7	H6	180.0°	180.0°
C6	C8	C7	N2	0.6°	0.1°
C6	C8	C7	H5	179.4°	179.9°
N1	N2	C7	C8	0.6°	0.3°
N1	N2	C7	H	180.0°	179.7°
N1	N2	C7	H5	179.5°	179.8°
C8	C7	N2	H5	180.0°	179.9°
C8	C7	N2	H	179.4°	179.9°
N2	C7	C8	H6	179.4°	179.9°
H4	C5	C4	H3	3.3°	0.2°
H6	C8	C7	H5	0.6°	0.1°
H5	C7	N2	H	0.5°	0.1°

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