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Summary Geometry Related PDB entries

BME

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.42Å
C1	H11	sing	1.09Å	1.09Å
C1	H12	sing	1.09Å	1.09Å
C2	S2	sing	1.81Å	1.81Å
C2	H21	sing	1.09Å	1.09Å
C2	H22	sing	1.09Å	1.09Å
O1	HO1	sing	0.97Å	0.96Å
S2	HS2	sing	1.34Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	110.7°	109.5°
C2	C1	H11	111.4°	109.5°
C2	C1	H12	110.6°	109.5°
C1	C2	S2	113.8°	109.5°
C1	C2	H21	109.1°	109.5°
C1	C2	H22	110.9°	109.5°
O1	C1	H11	109.1°	109.4°
O1	C1	H12	106.6°	109.4°
C1	O1	HO1	106.3°	106.8°
H11	C1	H12	108.2°	109.5°
S2	C2	H21	107.8°	109.4°
S2	C2	H22	108.7°	109.4°
C2	S2	HS2	113.7°	100.1°
H21	C2	H22	106.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H11	123.0°	120.0°
C2	C1	O1	H12	120.4°	120.0°
C2	C1	H11	H12	121.8°	120.1°
C1	C2	S2	H21	121.2°	120.1°
C1	C2	S2	H22	124.1°	120.1°
C1	C2	H21	H22	119.6°	120.1°
C2	C1	O1	HO1	148.2°	180.0°
C1	C2	S2	HS2	179.9°	180.0°
O1	C1	H11	H12	115.7°	120.0°
O1	C1	C2	S2	71.2°	180.0°
O1	C1	C2	H21	168.3°	60.1°
O1	C1	C2	H22	51.7°	60.1°
H11	C1	C2	S2	50.4°	60.1°
H11	C1	C2	H21	70.1°	180.0°
H11	C1	C2	H22	173.3°	59.9°
H11	C1	O1	HO1	88.8°	60.0°
H12	C1	C2	S2	170.8°	60.1°
H12	C1	C2	H21	50.3°	59.9°
H12	C1	C2	H22	66.3°	180.0°
H12	C1	O1	HO1	27.9°	60.0°
S2	C2	H21	H22	116.4°	119.8°
H21	C2	S2	HS2	58.9°	59.9°
H22	C2	S2	HS2	55.8°	59.9°

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