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Summary Geometry Related PDB entries

WV0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	doub	1.21Å	1.22Å
N1	C2	sing	1.34Å	1.35Å
N1	C3	sing	1.40Å	1.40Å
C2	C1	sing	1.51Å	1.51Å
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	C8	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C1	C8	sing	1.51Å	1.46Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.37Å	Aromatic
C7	C6	sing	1.39Å	1.38Å	Aromatic
C6	F1	sing	1.35Å	1.36Å
N1	H3	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	N1	126.3°	126.4°
O2	C2	C1	126.9°	126.4°
C2	N1	C3	111.5°	112.2°
N1	C2	C1	106.9°	107.2°
C2	N1	H3	124.2°	123.9°
N1	C3	C4	128.8°	130.8°
N1	C3	C8	108.9°	110.2°
C3	N1	H3	124.3°	123.9°
C2	C1	C8	104.5°	104.1°
C2	C1	H1	110.7°	110.5°
C2	C1	H2	110.7°	110.6°
C4	C3	C8	122.3°	119.0°
C3	C4	C5	117.5°	120.2°
C3	C4	H4	121.3°	119.9°
C3	C8	C1	108.2°	106.4°
C3	C8	C7	120.1°	120.8°
C4	C5	C6	119.7°	120.3°
C5	C4	H4	121.2°	119.9°
C4	C5	H5	120.1°	119.9°
C1	C8	C7	131.7°	132.8°
C8	C1	H1	110.7°	110.5°
C8	C1	H2	110.7°	110.5°
C8	C7	C6	116.9°	119.9°
C8	C7	H6	121.5°	120.1°
C5	C6	C7	123.4°	119.8°
C5	C6	F1	118.2°	120.1°
C6	C5	H5	120.2°	119.8°
C7	C6	F1	118.4°	120.1°
C6	C7	H6	121.5°	120.0°
H1	C1	H2	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	N1	C1	179.0°	179.9°
O2	C2	N1	C3	179.6°	180.0°
O2	C2	C1	C8	179.3°	180.0°
O2	C2	N1	H3	0.4°	0.3°
O2	C2	C1	H1	61.4°	61.4°
O2	C2	C1	H2	60.1°	61.3°
C2	N1	C3	H3	180.0°	179.7°
C2	N1	C3	C4	179.9°	179.9°
C2	N1	C3	C8	0.6°	0.0°
N1	C2	C1	C8	0.4°	0.0°
N1	C2	C1	H1	119.6°	118.7°
N1	C2	C1	H2	118.9°	118.6°
C3	N1	C2	C1	0.6°	0.0°
N1	C3	C4	C8	179.4°	179.9°
N1	C3	C4	C5	179.9°	179.9°
N1	C3	C8	C1	0.4°	0.0°
N1	C3	C8	C7	179.8°	180.0°
N1	C3	C4	H4	0.1°	0.1°
C2	C1	C8	C3	0.0°	0.0°
C2	C1	C8	H1	119.2°	118.6°
C2	C1	C8	H2	119.2°	118.8°
C2	C1	C8	C7	179.4°	180.0°
C1	C2	N1	H3	179.4°	179.7°
C2	C1	H1	H2	122.3°	122.8°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	C8	C1	179.8°	179.9°
C4	C3	C8	C7	0.7°	0.0°
C3	C4	C5	C6	0.3°	0.0°
C4	C3	N1	H3	0.0°	0.4°
C3	C4	C5	H5	179.7°	180.0°
C8	C3	C4	C5	0.5°	0.0°
C3	C8	C1	C7	179.4°	180.0°
C3	C8	C7	C6	0.6°	0.0°
C8	C3	N1	H3	179.4°	179.7°
C8	C3	C4	H4	179.5°	180.0°
C3	C8	C7	H6	179.4°	180.0°
C3	C8	C1	H1	119.2°	118.7°
C3	C8	C1	H2	119.2°	118.8°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.2°	0.0°
C4	C5	C6	F1	180.0°	180.0°
C1	C8	C7	C6	179.9°	179.9°
C1	C8	C7	H6	0.1°	0.1°
C8	C1	H1	H2	122.3°	122.6°
C8	C7	C6	C5	0.4°	0.0°
C8	C7	C6	H6	180.0°	180.0°
C8	C7	C6	F1	179.9°	180.0°
C7	C8	C1	H1	60.2°	61.4°
C7	C8	C1	H2	61.4°	61.2°
C5	C6	C7	F1	179.8°	180.0°
C6	C5	C4	H4	179.7°	180.0°
C5	C6	C7	H6	179.7°	180.0°
C7	C6	C5	H5	179.8°	180.0°
F1	C6	C5	H5	0.0°	0.0°
F1	C6	C7	H6	0.1°	0.0°
H4	C4	C5	H5	0.3°	0.0°

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