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Summary Geometry Related PDB entries

J6Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	S1	sing	1.81Å	1.81Å
C1	C2	sing	1.53Å	1.52Å
C1	C3	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
S1	O2	doub	1.46Å	1.44Å
S1	O3	doub	1.45Å	1.44Å
C2	C4	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å
O31	S1	sing	1.45Å	155.53Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C1	C2	109.4°	109.5°
S1	C1	C3	109.7°	109.5°
S1	C1	H1	109.9°	109.5°
C1	S1	O2	108.6°	108.8°
C1	S1	O3	109.7°	108.8°
C1	S1	O31	152.8°	108.8°
C2	C1	C3	110.9°	109.5°
C2	C1	H1	108.6°	109.4°
C1	C2	C4	111.5°	109.5°
C1	C2	H2	108.8°	109.4°
C1	C2	H2A	108.8°	109.5°
C3	C1	H1	108.3°	109.5°
C1	C3	H3	109.5°	109.5°
C1	C3	H3A	109.5°	109.5°
C1	C3	H3B	109.5°	109.5°
O2	S1	O3	109.8°	110.1°
O2	S1	O31	44.3°	110.1°
O3	S1	O31	83.7°	110.2°
C4	C2	H2	108.8°	109.5°
C4	C2	H2A	108.8°	109.5°
C2	C4	H4	109.5°	109.5°
C2	C4	H4A	109.5°	109.4°
C2	C4	H4B	109.5°	109.5°
H2	C2	H2A	110.1°	109.5°
H3	C3	H3A	109.4°	109.4°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.5°
H4	C4	H4A	109.4°	109.5°
H4	C4	H4B	109.4°	109.4°
H4A	C4	H4B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	C3	121.1°	120.0°
S1	C1	C2	H1	120.0°	120.0°
S1	C1	C3	H1	120.0°	120.0°
C1	S1	O2	O3	120.0°	119.1°
C1	S1	O2	O31	177.5°	119.2°
C1	S1	O3	O31	155.6°	119.2°
S1	C1	C2	C4	179.3°	65.0°
S1	C1	C2	H2	60.7°	55.0°
S1	C1	C2	H2A	59.2°	175.0°
S1	C1	C3	H3	180.0°	60.0°
S1	C1	C3	H3A	60.0°	180.0°
S1	C1	C3	H3B	60.0°	60.0°
C2	C1	C3	H1	119.1°	120.0°
C2	C1	S1	O2	27.7°	180.0°
C2	C1	S1	O3	92.4°	60.1°
C1	C2	C4	H2	120.0°	120.0°
C1	C2	C4	H2A	120.0°	120.0°
C1	C2	H2	H2A	119.2°	120.0°
C2	C1	C3	H3	59.1°	180.0°
C2	C1	C3	H3A	60.9°	60.0°
C2	C1	C3	H3B	179.1°	60.0°
C1	C2	C4	H4	180.0°	60.0°
C1	C2	C4	H4A	60.0°	60.0°
C1	C2	C4	H4B	60.0°	180.0°
C2	C1	S1	O31	23.9°	60.0°
C3	C1	S1	O2	149.5°	60.0°
C3	C1	S1	O3	29.5°	60.0°
C3	C1	C2	C4	58.2°	175.0°
C3	C1	C2	H2	178.2°	65.0°
C3	C1	C2	H2A	61.8°	55.0°
C1	C3	H3	H3A	120.0°	120.0°
C1	C3	H3	H3B	120.0°	120.0°
C1	C3	H3A	H3B	120.0°	120.0°
C3	C1	S1	O31	145.7°	180.0°
H1	C1	S1	O2	91.5°	60.0°
H1	C1	S1	O3	148.5°	180.0°
H1	C1	C2	C4	60.8°	55.0°
H1	C1	C2	H2	59.2°	175.0°
H1	C1	C2	H2A	179.2°	65.0°
H1	C1	C3	H3	60.0°	60.0°
H1	C1	C3	H3A	180.0°	60.0°
H1	C1	C3	H3B	60.0°	180.0°
H1	C1	S1	O31	95.3°	60.0°
O2	S1	O3	O31	36.3°	121.6°
C4	C2	H2	H2A	119.2°	120.0°
C2	C4	H4	H4A	120.0°	120.0°
C2	C4	H4	H4B	120.0°	120.0°
C2	C4	H4A	H4B	120.0°	120.0°
H2	C2	C4	H4	60.0°	180.0°
H2	C2	C4	H4A	180.0°	60.0°
H2	C2	C4	H4B	60.0°	60.1°
H2A	C2	C4	H4	60.0°	60.0°
H2A	C2	C4	H4A	60.0°	180.0°
H2A	C2	C4	H4B	180.0°	59.9°
H3	C3	H3A	H3B	120.0°	120.0°
H4	C4	H4A	H4B	120.0°	120.0°

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