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Summary Geometry Related PDB entries

MPR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O	doub	1.21Å	1.22Å
C1	C2	sing	1.51Å	1.48Å
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.53Å	1.57Å
C2	H21	sing	1.09Å	1.08Å
C2	H22	sing	1.09Å	1.10Å
C3	S3	sing	1.81Å	1.81Å
C3	H31	sing	1.09Å	1.09Å
C3	H32	sing	1.09Å	1.09Å
S3	HS3	sing	1.34Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C1	C2	123.7°	120.1°
O	C1	H1	108.0°	119.9°
C2	C1	H1	128.3°	120.0°
C1	C2	C3	114.4°	109.5°
C1	C2	H21	109.6°	109.4°
C1	C2	H22	108.6°	109.5°
C3	C2	H21	108.3°	109.5°
C3	C2	H22	108.1°	109.5°
C2	C3	S3	112.1°	109.5°
C2	C3	H31	109.0°	109.5°
C2	C3	H32	109.8°	109.5°
H21	C2	H22	107.6°	109.5°
S3	C3	H31	109.5°	109.4°
S3	C3	H32	109.1°	109.5°
C3	S3	HS3	112.1°	100.0°
H31	C3	H32	107.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C1	C2	H1	180.0°	180.0°
O	C1	C2	C3	44.9°	120.0°
O	C1	C2	H21	166.7°	0.0°
O	C1	C2	H22	76.0°	120.0°
C1	C2	C3	H21	122.6°	120.0°
C1	C2	C3	H22	121.1°	120.0°
C1	C2	H21	H22	117.9°	120.0°
C1	C2	C3	S3	75.7°	180.0°
C1	C2	C3	H31	45.7°	60.0°
C1	C2	C3	H32	162.9°	60.0°
H1	C1	C2	C3	135.2°	60.0°
H1	C1	C2	H21	13.3°	180.0°
H1	C1	C2	H22	104.0°	60.0°
C3	C2	H21	H22	116.7°	120.0°
C2	C3	S3	H31	121.1°	120.0°
C2	C3	S3	H32	121.8°	120.0°
C2	C3	H31	H32	118.8°	120.0°
C2	C3	S3	HS3	180.0°	180.0°
H21	C2	C3	S3	46.8°	60.0°
H21	C2	C3	H31	168.3°	180.0°
H21	C2	C3	H32	74.5°	60.0°
H22	C2	C3	S3	163.2°	60.0°
H22	C2	C3	H31	75.4°	60.0°
H22	C2	C3	H32	41.8°	180.0°
S3	C3	H31	H32	118.2°	119.9°
H31	C3	S3	HS3	58.8°	60.0°
H32	C3	S3	HS3	58.2°	60.0°

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PDB entries from 2024-07-10

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