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Summary Geometry Related PDB entries

O2Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C12	doub	1.21Å	1.21Å
C12	C11	sing	1.51Å	1.50Å
C12	O13	sing	1.34Å	1.27Å
C11	S10	sing	1.81Å	1.84Å
C5	C4	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.40Å	1.38Å	Aromatic
S10	C6	sing	1.76Å	1.80Å
C4	C3	sing	1.39Å	1.38Å	Aromatic
C6	C1	doub	1.40Å	1.42Å	Aromatic
C3	N2	doub	1.31Å	1.33Å	Aromatic
C1	N2	sing	1.33Å	1.37Å	Aromatic
C1	C7	sing	1.48Å	1.41Å
C7	O8	doub	1.21Å	1.27Å
C7	O9	sing	1.35Å	1.28Å
O13	H1	sing	0.97Å	0.95Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.08Å	1.08Å
O9	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C12	C11	113.4°	120.0°
O14	C12	O13	125.7°	120.0°
C11	C12	O13	120.5°	120.0°
C12	C11	S10	109.5°	109.5°
C12	C11	H2	109.5°	109.4°
C12	C11	H3	109.5°	109.4°
C12	O13	H1	109.5°	117.0°
C11	S10	C6	103.0°	100.0°
S10	C11	H2	109.5°	109.5°
S10	C11	H3	109.5°	109.5°
C4	C5	C6	119.9°	118.4°
C5	C4	C3	120.0°	119.5°
C4	C5	H4	120.1°	120.8°
C5	C4	H5	120.0°	120.3°
C5	C6	S10	119.3°	120.6°
C5	C6	C1	118.5°	118.8°
C6	C5	H4	120.1°	120.8°
S10	C6	C1	122.2°	120.6°
C4	C3	N2	120.8°	121.1°
C3	C4	H5	120.0°	120.2°
C4	C3	H6	119.6°	119.5°
C6	C1	N2	119.7°	120.4°
C6	C1	C7	123.6°	119.8°
C3	N2	C1	121.2°	121.7°
N2	C3	H6	119.6°	119.4°
N2	C1	C7	116.7°	119.8°
C1	C7	O8	117.9°	120.0°
C1	C7	O9	119.3°	120.0°
O8	C7	O9	122.7°	120.0°
C7	O9	H7	109.5°	117.0°
H2	C11	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C12	C11	O13	173.4°	179.7°
O14	C12	C11	S10	128.5°	0.0°
O14	C12	O13	H1	0.0°	0.0°
O14	C12	C11	H2	8.6°	120.0°
O14	C12	C11	H3	111.4°	120.0°
C12	C11	S10	H2	120.0°	120.0°
C12	C11	S10	H3	120.0°	120.0°
C12	C11	S10	C6	173.7°	180.0°
C11	C12	O13	H1	172.6°	179.7°
C12	C11	H2	H3	120.0°	119.9°
O13	C12	C11	S10	44.9°	179.8°
O13	C12	C11	H2	164.9°	60.2°
O13	C12	C11	H3	75.1°	59.7°
C11	S10	C6	C5	3.9°	0.3°
C11	S10	C6	C1	177.1°	180.0°
S10	C11	H2	H3	120.0°	120.1°
C4	C5	C6	H4	180.0°	179.9°
C4	C5	C6	S10	179.0°	180.0°
C5	C4	C3	H5	180.0°	179.9°
C4	C5	C6	C1	0.0°	0.3°
C5	C4	C3	N2	1.9°	0.0°
C5	C4	C3	H6	178.1°	180.0°
C5	C6	S10	C1	179.0°	179.7°
C6	C5	C4	C3	1.9°	0.0°
C5	C6	C1	N2	2.1°	0.6°
C5	C6	C1	C7	179.6°	179.7°
C6	C5	C4	H5	178.1°	180.0°
S10	C6	C1	N2	179.0°	179.7°
S10	C6	C1	C7	0.6°	0.0°
C6	S10	C11	H2	53.7°	60.0°
C6	S10	C11	H3	66.3°	60.0°
S10	C6	C5	H4	0.9°	0.1°
C4	C3	N2	H6	180.0°	180.0°
C4	C3	N2	C1	0.2°	0.3°
C3	C4	C5	H4	178.1°	179.9°
C6	C1	N2	C3	2.2°	0.6°
C6	C1	N2	C7	178.4°	179.7°
C6	C1	C7	O8	3.8°	0.1°
C6	C1	C7	O9	179.3°	180.0°
C1	C6	C5	H4	179.9°	179.8°
C3	N2	C1	C7	179.3°	179.7°
N2	C3	C4	H5	178.1°	180.0°
N2	C1	C7	O8	177.9°	179.8°
N2	C1	C7	O9	0.9°	0.3°
C1	N2	C3	H6	179.8°	179.7°
C1	C7	O8	O9	176.8°	179.9°
C1	C7	O9	H7	176.7°	180.0°
O8	C7	O9	H7	0.0°	0.0°
H4	C5	C4	H5	1.9°	0.1°
H5	C4	C3	H6	1.9°	0.0°

226262

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