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Summary Geometry Related PDB entries

HS6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	S1	doub	1.42Å	1.44Å
S1	O3	doub	1.42Å	1.44Å
S1	N1	sing	1.66Å	1.61Å
S1	C3	sing	1.76Å	1.62Å
N1	C6	sing	1.47Å	1.45Å
C6	C8	sing	1.51Å	1.50Å
C8	O2	doub	1.21Å	1.22Å
C8	N2	sing	1.35Å	1.33Å
N2	O1	doub	1.22Å	1.39Å
C3	C1	doub	1.38Å	1.40Å	Aromatic
C3	C5	sing	1.38Å	1.40Å	Aromatic
C1	C2	sing	1.38Å	1.40Å	Aromatic
C5	C7	doub	1.38Å	1.40Å	Aromatic
C7	C4	sing	1.39Å	1.40Å	Aromatic
C4	F1	sing	1.35Å	1.35Å
C4	C2	doub	1.38Å	1.39Å	Aromatic
N1	HN1	sing	0.97Å	1.00Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	S1	O3	111.7°	123.2°
O4	S1	N1	108.1°	106.4°
O4	S1	C3	107.9°	106.4°
O3	S1	N1	108.5°	106.4°
O3	S1	C3	107.5°	106.4°
N1	S1	C3	113.1°	107.2°
S1	N1	C6	121.8°	119.9°
S1	N1	HN1	105.5°	120.0°
S1	C3	C1	120.3°	120.0°
S1	C3	C5	121.2°	120.0°
N1	C6	C8	110.0°	109.5°
C6	N1	HN1	105.6°	120.0°
N1	C6	H6	109.3°	109.5°
N1	C6	H6A	109.2°	109.5°
C6	C8	O2	120.5°	120.0°
C6	C8	N2	116.9°	120.0°
C8	C6	H6	109.3°	109.5°
C8	C6	H6A	109.2°	109.4°
O2	C8	N2	122.7°	120.0°
C8	N2	O1	118.1°	120.0°
C1	C3	C5	118.5°	120.0°
C3	C1	C2	121.0°	120.0°
C3	C1	H1	119.5°	120.0°
C3	C5	C7	120.7°	120.1°
C3	C5	H5	119.7°	119.9°
C1	C2	C4	119.9°	120.0°
C2	C1	H1	119.5°	120.0°
C1	C2	H2	120.0°	120.0°
C5	C7	C4	120.0°	119.9°
C7	C5	H5	119.6°	120.0°
C5	C7	H7	120.0°	120.0°
C7	C4	F1	120.6°	120.0°
C7	C4	C2	119.9°	120.0°
C4	C7	H7	120.0°	120.0°
F1	C4	C2	119.5°	120.0°
C4	C2	H2	120.1°	120.0°
H6	C6	H6A	109.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	S1	O3	N1	119.1°	122.9°
O4	S1	O3	C3	118.2°	123.0°
O4	S1	N1	C3	119.4°	113.5°
O4	S1	N1	C6	147.5°	178.5°
O4	S1	C3	C1	36.3°	23.5°
O4	S1	C3	C5	142.0°	156.2°
O4	S1	N1	HN1	92.5°	1.5°
O3	S1	N1	C3	119.2°	113.6°
O3	S1	N1	C6	26.1°	48.6°
O3	S1	C3	C1	157.0°	156.4°
O3	S1	C3	C5	21.3°	23.2°
O3	S1	N1	HN1	146.1°	131.4°
S1	N1	C6	HN1	120.0°	180.0°
S1	N1	C6	C8	86.7°	165.0°
N1	S1	C3	C1	83.2°	90.0°
N1	S1	C3	C5	98.5°	90.3°
S1	N1	C6	H6	153.3°	75.0°
S1	N1	C6	H6A	33.1°	45.0°
C3	S1	N1	C6	93.1°	65.0°
S1	C3	C1	C5	178.4°	179.7°
S1	C3	C1	C2	179.0°	180.0°
S1	C3	C5	C7	178.9°	180.0°
C3	S1	N1	HN1	26.9°	115.0°
S1	C3	C1	H1	1.0°	0.1°
S1	C3	C5	H5	1.1°	0.0°
N1	C6	C8	H6	120.0°	120.0°
N1	C6	C8	H6A	119.8°	120.0°
N1	C6	C8	O2	55.2°	0.1°
N1	C6	C8	N2	124.0°	180.0°
N1	C6	H6	H6A	119.8°	120.0°
C6	C8	O2	N2	179.1°	180.0°
C6	C8	N2	O1	177.3°	180.0°
C8	C6	N1	HN1	33.3°	15.0°
C8	C6	H6	H6A	119.8°	120.0°
O2	C8	N2	O1	1.8°	0.0°
O2	C8	C6	H6	64.8°	120.0°
O2	C8	C6	H6A	175.0°	120.0°
N2	C8	C6	H6	116.1°	60.0°
N2	C8	C6	H6A	4.1°	60.0°
C3	C1	C2	H1	180.0°	179.9°
C1	C3	C5	C7	0.5°	0.3°
C3	C1	C2	C4	0.4°	0.0°
C1	C3	C5	H5	179.4°	179.7°
C3	C1	C2	H2	179.6°	180.0°
C5	C3	C1	C2	0.6°	0.3°
C3	C5	C7	H5	180.0°	180.0°
C3	C5	C7	C4	0.3°	0.0°
C5	C3	C1	H1	179.4°	179.8°
C3	C5	C7	H7	179.7°	180.0°
C1	C2	C4	C7	0.2°	0.3°
C1	C2	C4	F1	179.6°	180.0°
C1	C2	C4	H2	180.0°	180.0°
C5	C7	C4	H7	180.0°	180.0°
C5	C7	C4	F1	179.7°	180.0°
C5	C7	C4	C2	0.1°	0.3°
C7	C4	F1	C2	179.8°	179.7°
C4	C7	C5	H5	179.7°	180.0°
C7	C4	C2	H2	179.8°	179.7°
F1	C4	C7	H7	0.3°	0.0°
F1	C4	C2	H2	0.4°	0.0°
C4	C2	C1	H1	179.6°	179.9°
C2	C4	C7	H7	179.9°	179.7°
HN1	N1	C6	H6	86.7°	105.0°
HN1	N1	C6	H6A	153.1°	135.0°
H1	C1	C2	H2	0.4°	0.0°
H5	C5	C7	H7	0.3°	0.0°

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PDB entries from 2024-09-11

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