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Summary Geometry Related PDB entries

TSU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	O1	doub	1.42Å	1.43Å
S	O2	doub	1.42Å	1.44Å
S	O3	sing	1.52Å	1.44Å
S	C1	sing	1.76Å	1.76Å
O3	HO3	sing	0.97Å	0.95Å
C1	C2	doub	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.38Å	1.41Å	Aromatic
C4	C7	sing	1.51Å	1.54Å
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S	O2	107.8°	123.2°
O1	S	O3	107.7°	106.4°
O1	S	C1	110.6°	106.4°
O2	S	O3	107.9°	106.4°
O2	S	C1	111.4°	106.4°
O3	S	C1	111.2°	107.2°
S	O3	HO3	109.5°	114.0°
S	C1	C2	120.8°	120.0°
S	C1	C6	121.1°	120.0°
C2	C1	C6	118.1°	120.0°
C1	C2	C3	121.2°	120.0°
C1	C2	H2	119.4°	120.0°
C1	C6	C5	121.1°	120.0°
C1	C6	H6	119.5°	120.0°
C3	C2	H2	119.4°	120.0°
C2	C3	C4	120.1°	120.0°
C2	C3	H3	119.9°	120.0°
C4	C3	H3	120.0°	120.0°
C3	C4	C5	119.2°	120.0°
C3	C4	C7	120.3°	120.0°
C5	C4	C7	120.5°	120.0°
C4	C5	C6	120.3°	120.0°
C4	C5	H5	119.8°	120.0°
C4	C7	H71	109.5°	109.5°
C4	C7	H72	109.5°	109.5°
C4	C7	H73	109.5°	109.5°
C6	C5	H5	119.8°	120.0°
C5	C6	H6	119.5°	120.0°
H71	C7	H72	109.5°	109.4°
H71	C7	H73	109.4°	109.5°
H72	C7	H73	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S	O2	O3	116.1°	122.9°
O1	S	O2	C1	121.5°	123.0°
O1	S	O3	C1	121.3°	113.5°
O1	S	O3	HO3	0.0°	66.5°
O1	S	C1	C2	49.9°	23.5°
O1	S	C1	C6	129.9°	156.2°
O2	S	O3	C1	122.5°	113.5°
O2	S	O3	HO3	116.2°	66.5°
O2	S	C1	C2	70.0°	156.4°
O2	S	C1	C6	110.1°	23.2°
O3	S	C1	C2	169.5°	90.1°
O3	S	C1	C6	10.3°	90.3°
C1	S	O3	HO3	121.3°	180.0°
S	C1	C2	C6	179.8°	179.6°
S	C1	C2	C3	179.7°	180.0°
S	C1	C2	H2	0.3°	0.1°
S	C1	C6	C5	179.7°	179.8°
S	C1	C6	H6	0.3°	0.1°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.1°	0.1°
C1	C2	C3	H3	179.9°	179.9°
C2	C1	C6	C5	0.1°	0.6°
C2	C1	C6	H6	179.8°	179.7°
C6	C1	C2	C3	0.1°	0.4°
C6	C1	C2	H2	179.9°	179.7°
C1	C6	C5	C4	0.1°	0.5°
C1	C6	C5	H6	180.0°	179.7°
C1	C6	C5	H5	179.9°	179.7°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C4	C7	179.9°	180.0°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	0.1°	0.0°
C3	C4	C5	C7	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.2°
C3	C4	C5	H5	179.9°	180.0°
C3	C4	C7	H71	90.0°	90.0°
C3	C4	C7	H72	150.0°	150.0°
C3	C4	C7	H73	30.0°	30.0°
H3	C3	C4	C5	179.9°	180.0°
H3	C3	C4	C7	0.1°	0.0°
C4	C5	C6	H5	180.0°	179.8°
C4	C5	C6	H6	179.9°	179.8°
C5	C4	C7	H71	90.0°	90.0°
C5	C4	C7	H72	30.0°	30.0°
C5	C4	C7	H73	150.0°	150.0°
C7	C4	C5	C6	180.0°	179.8°
C7	C4	C5	H5	0.1°	0.0°
C4	C7	H71	H72	120.0°	120.0°
C4	C7	H71	H73	120.0°	120.0°
C4	C7	H72	H73	120.0°	120.0°
H5	C5	C6	H6	0.1°	0.0°
H71	C7	H72	H73	120.0°	120.0°

218500

PDB entries from 2024-04-17

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