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Summary Geometry Related PDB entries

KG7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CS3	CS2	sing	1.51Å	1.58Å
OS4	NS4	sing	1.42Å	1.39Å
CS2	NS4	doub	1.29Å	1.31Å
CS2	CS1	sing	1.47Å	1.51Å
O	CS1	doub	1.21Å	1.29Å
CS1	OS1	sing	1.35Å	1.27Å
OS1	H1	sing	0.97Å	0.95Å
CS3	H2	sing	1.09Å	1.10Å
CS3	H3	sing	1.09Å	1.10Å
CS3	H4	sing	1.09Å	1.10Å
OS4	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CS3	CS2	NS4	123.6°	120.0°
CS3	CS2	CS1	118.7°	120.0°
CS2	CS3	H2	109.5°	109.5°
CS2	CS3	H3	109.5°	109.4°
CS2	CS3	H4	109.5°	109.4°
OS4	NS4	CS2	123.2°	120.0°
NS4	OS4	H5	109.5°	114.0°
NS4	CS2	CS1	117.7°	120.0°
CS2	CS1	O	118.5°	120.0°
CS2	CS1	OS1	122.4°	120.0°
O	CS1	OS1	119.2°	120.0°
CS1	OS1	H1	109.5°	117.0°
H2	CS3	H3	109.5°	109.5°
H2	CS3	H4	109.5°	109.5°
H3	CS3	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CS3	CS2	NS4	OS4	1.0°	0.1°
CS3	CS2	NS4	CS1	179.7°	179.9°
CS3	CS2	CS1	O	7.4°	0.0°
CS3	CS2	CS1	OS1	173.5°	179.7°
CS2	CS3	H2	H3	120.0°	119.9°
CS2	CS3	H2	H4	120.0°	120.0°
CS2	CS3	H3	H4	120.0°	119.9°
OS4	NS4	CS2	CS1	178.7°	180.0°
NS4	CS2	CS1	O	172.9°	179.9°
NS4	CS2	CS1	OS1	6.2°	0.2°
NS4	CS2	CS3	H2	180.0°	89.9°
NS4	CS2	CS3	H3	60.0°	150.0°
NS4	CS2	CS3	H4	60.0°	30.1°
CS2	NS4	OS4	H5	180.0°	179.9°
CS2	CS1	O	OS1	179.1°	179.7°
CS2	CS1	OS1	H1	179.0°	179.7°
CS1	CS2	CS3	H2	0.3°	90.0°
CS1	CS2	CS3	H3	119.7°	30.1°
CS1	CS2	CS3	H4	120.3°	150.0°
O	CS1	OS1	H1	0.0°	0.0°
H2	CS3	H3	H4	120.0°	120.1°

222415

PDB entries from 2024-07-10

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