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Summary Geometry Related PDB entries

H9L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	S	sing	1.81Å	1.75Å
O	C	doub	1.21Å	1.27Å
S	C02	sing	1.81Å	1.75Å
C03	C02	sing	1.53Å	1.48Å
C03	C04	sing	1.53Å	1.52Å
C04	C	sing	1.51Å	1.51Å
C04	O01	sing	1.43Å	1.23Å
C	O02	sing	1.34Å	1.29Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
O02	H8	sing	0.97Å	0.95Å
C04	H9	sing	1.09Å	1.10Å
O01	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	S	C02	108.9°	103.0°
S	C01	H1	109.5°	109.5°
S	C01	H2	109.5°	109.5°
S	C01	H3	109.5°	109.5°
O	C	C04	118.9°	120.0°
O	C	O02	121.4°	120.0°
S	C02	C03	115.6°	109.5°
S	C02	H4	107.9°	109.5°
S	C02	H5	107.9°	109.5°
C02	C03	C04	119.0°	109.5°
C03	C02	H4	107.9°	109.5°
C03	C02	H5	107.9°	109.4°
C02	C03	H6	107.0°	109.5°
C02	C03	H7	107.0°	109.5°
C03	C04	C	120.6°	109.5°
C03	C04	O01	120.5°	109.5°
C04	C03	H6	107.0°	109.4°
C04	C03	H7	107.0°	109.5°
C03	C04	H9	90.1°	109.4°
C	C04	O01	118.9°	109.5°
C04	C	O02	119.7°	120.0°
C	C04	H9	90.0°	109.4°
O01	C04	H9	90.0°	109.5°
C04	O01	H10	109.5°	114.0°
C	O02	H8	109.5°	117.1°
H1	C01	H2	109.4°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H4	C02	H5	109.5°	109.5°
H6	C03	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	S	C02	C03	151.9°	180.0°
S	C01	H1	H2	120.0°	120.0°
S	C01	H1	H3	120.0°	120.0°
S	C01	H2	H3	120.0°	120.0°
C01	S	C02	H4	87.2°	60.0°
C01	S	C02	H5	31.0°	60.1°
O	C	C04	C03	58.1°	115.0°
O	C	C04	O02	179.4°	179.9°
O	C	C04	O01	121.7°	5.1°
O	C	O02	H8	0.0°	0.1°
O	C	C04	H9	148.2°	125.0°
S	C02	C03	H4	120.9°	120.0°
S	C02	C03	H5	120.9°	120.0°
S	C02	C03	C04	151.2°	180.0°
C02	S	C01	H1	180.0°	180.0°
C02	S	C01	H2	60.0°	60.0°
C02	S	C01	H3	60.0°	60.0°
S	C02	H4	H5	117.2°	120.0°
S	C02	C03	H6	87.4°	60.0°
S	C02	C03	H7	29.9°	60.0°
C02	C03	C04	H6	121.3°	120.0°
C02	C03	C04	H7	121.4°	120.0°
C02	C03	C04	C	166.3°	175.0°
C02	C03	C04	O01	13.9°	65.0°
C03	C02	H4	H5	117.2°	120.0°
C02	C03	H6	H7	115.7°	120.0°
C02	C03	C04	H9	76.2°	55.0°
C03	C04	C	O01	179.8°	120.1°
C03	C04	C	H9	90.1°	120.0°
C03	C04	O01	H9	90.1°	120.0°
C03	C04	C	O02	122.5°	64.9°
C04	C03	C02	H4	30.3°	60.0°
C04	C03	C02	H5	87.9°	60.0°
C04	C03	H6	H7	115.7°	120.0°
C03	C04	O01	H10	180.0°	60.0°
C	C04	O01	H9	90.1°	119.9°
C	C04	C03	H6	72.4°	65.0°
C	C04	C03	H7	44.9°	54.9°
C04	C	O02	H8	179.4°	180.0°
C	C04	O01	H10	0.2°	60.1°
O01	C04	C	O02	57.7°	175.0°
O01	C04	C03	H6	107.4°	55.0°
O01	C04	C03	H7	135.3°	175.0°
O02	C	C04	H9	32.4°	55.0°
H1	C01	H2	H3	120.0°	120.0°
H4	C02	C03	H6	151.7°	180.0°
H4	C02	C03	H7	91.0°	60.0°
H5	C02	C03	H6	33.5°	60.0°
H5	C02	C03	H7	150.8°	180.0°
H6	C03	C04	H9	162.5°	175.0°
H7	C03	C04	H9	45.2°	65.0°
H9	C04	O01	H10	89.9°	180.0°

223532

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