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Summary Geometry Related PDB entries

HS7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C7	doub	1.21Å	1.23Å
C7	N2	sing	1.35Å	1.33Å
C7	C8	sing	1.51Å	1.51Å
N2	O4	doub	1.22Å	1.39Å
C8	N1	sing	1.46Å	1.45Å
N1	S1	sing	1.66Å	1.60Å
S1	O1	doub	1.42Å	1.44Å
S1	O2	doub	1.42Å	1.44Å
S1	C3	sing	1.76Å	1.61Å
C3	C1	doub	1.38Å	1.40Å	Aromatic
C3	C6	sing	1.38Å	1.40Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C4	C2	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
C1	H1	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C4	H4	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)
O3	C7	N2	122.0°	120.0°
O3	C7	C8	121.6°	120.0°
N2	C7	C8	116.4°	120.0°
C7	N2	O4	117.9°	119.9°
C7	C8	N1	110.3°	109.4°
C7	C8	H8	109.2°	109.4°
C7	C8	H8A	109.0°	109.5°
C8	N1	S1	121.3°	120.0°
N1	C8	H8	109.2°	109.5°
N1	C8	H8A	109.0°	109.5°
C8	N1	HN1	105.7°	120.0°
N1	S1	O1	109.3°	106.4°
N1	S1	O2	107.5°	106.4°
N1	S1	C3	110.3°	107.2°
S1	N1	HN1	105.7°	120.0°
O1	S1	O2	112.3°	123.1°
O1	S1	C3	108.6°	106.4°
O2	S1	C3	108.9°	106.4°
S1	C3	C1	120.9°	120.0°
S1	C3	C6	120.3°	120.0°
C1	C3	C6	118.7°	120.0°
C3	C1	C2	120.7°	120.0°
C3	C1	H1	119.7°	119.9°
C3	C6	C5	120.8°	120.0°
C3	C6	H6	119.6°	120.0°
C1	C2	C4	120.0°	120.0°
C2	C1	H1	119.6°	120.0°
C1	C2	H2	120.0°	120.0°
C6	C5	C4	119.8°	120.0°
C5	C6	H6	119.6°	120.0°
C6	C5	H5	120.1°	120.0°
C5	C4	C2	119.9°	120.0°
C4	C5	H5	120.1°	120.0°
C5	C4	H4	120.0°	120.0°
C2	C4	H4	120.0°	120.0°
C4	C2	H2	120.0°	120.0°
H8	C8	H8A	110.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C7	N2	C8	179.4°	179.6°
O3	C7	N2	O4	0.7°	0.0°
O3	C7	C8	N1	58.4°	0.1°
O3	C7	C8	H8	178.4°	120.0°
O3	C7	C8	H8A	61.2°	120.0°
N2	C7	C8	N1	122.2°	179.7°
N2	C7	C8	H8	2.2°	60.3°
N2	C7	C8	H8A	118.2°	59.7°
C8	C7	N2	O4	179.9°	179.7°
C7	C8	N1	H8	120.0°	119.9°
C7	C8	N1	H8A	119.7°	120.0°
C7	C8	N1	S1	82.5°	165.0°
C7	C8	H8	H8A	119.7°	120.0°
C7	C8	N1	HN1	157.5°	15.0°
C8	N1	S1	HN1	120.0°	180.0°
C8	N1	S1	O1	30.2°	178.5°
C8	N1	S1	O2	152.4°	48.5°
C8	N1	S1	C3	89.1°	65.0°
N1	C8	H8	H8A	119.6°	120.1°
N1	S1	O1	O2	119.2°	123.0°
N1	S1	O1	C3	120.4°	114.1°
N1	S1	O2	C3	119.5°	114.1°
N1	S1	C3	C1	111.4°	90.0°
N1	S1	C3	C6	69.3°	90.2°
S1	N1	C8	H8	37.5°	45.0°
S1	N1	C8	H8A	157.8°	75.0°
O1	S1	O2	C3	120.3°	122.9°
O1	S1	C3	C1	8.4°	23.6°
O1	S1	C3	C6	170.9°	156.2°
O1	S1	N1	HN1	89.8°	1.5°
O2	S1	C3	C1	130.9°	156.5°
O2	S1	C3	C6	48.4°	23.3°
O2	S1	N1	HN1	32.3°	131.4°
S1	C3	C1	C6	179.3°	179.8°
S1	C3	C1	C2	179.0°	180.0°
S1	C3	C6	C5	179.4°	180.0°
C3	S1	N1	HN1	150.9°	115.1°
S1	C3	C1	H1	1.0°	0.0°
S1	C3	C6	H6	0.6°	0.1°
C3	C1	C2	H1	180.0°	180.0°
C1	C3	C6	C5	0.0°	0.2°
C3	C1	C2	C4	0.2°	0.1°
C1	C3	C6	H6	180.0°	179.7°
C3	C1	C2	H2	179.8°	180.0°
C6	C3	C1	C2	0.3°	0.2°
C3	C6	C5	H6	180.0°	179.9°
C3	C6	C5	C4	0.4°	0.1°
C6	C3	C1	H1	179.7°	179.8°
C3	C6	C5	H5	179.6°	179.9°
C1	C2	C4	C5	0.2°	0.4°
C1	C2	C4	H2	180.0°	179.9°
C1	C2	C4	H4	179.9°	180.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C2	0.5°	0.4°
C6	C5	C4	H4	179.5°	180.0°
C5	C4	C2	H4	180.0°	179.6°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	C2	H2	179.8°	179.7°
C4	C2	C1	H1	179.8°	179.9°
C2	C4	C5	H5	179.5°	179.6°
H8	C8	N1	HN1	82.5°	134.9°
H8A	C8	N1	HN1	37.8°	105.0°
H1	C1	C2	H2	0.2°	0.0°
H6	C6	C5	H5	0.4°	0.0°
H5	C5	C4	H4	0.4°	0.0°
H4	C4	C2	H2	0.2°	0.1°

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PDB entries from 2024-09-11

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