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Summary Geometry Related PDB entries

OGB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.21Å
C	O	sing	1.45Å	1.45Å
C1	O	sing	1.35Å	1.33Å
C1	C2	sing	1.47Å	1.49Å
C3	C2	doub	1.39Å	1.38Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C2	C10	sing	1.46Å	1.43Å	Aromatic
C4	C5	doub	1.36Å	1.37Å	Aromatic
C10	C9	doub	1.40Å	1.42Å	Aromatic
C10	C6	sing	1.42Å	1.42Å	Aromatic
C9	C8	sing	1.36Å	1.36Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C6	C7	doub	1.40Å	1.41Å	Aromatic
C8	N	doub	1.32Å	1.34Å	Aromatic
C7	N	sing	1.31Å	1.32Å	Aromatic
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O	123.2°	120.0°
O1	C1	C2	125.2°	120.0°
C	O	C1	115.9°	117.0°
O	C	H1	109.5°	109.4°
O	C	H2	109.4°	109.5°
O	C	H3	109.5°	109.5°
O	C1	C2	111.6°	120.0°
C1	C2	C3	117.6°	120.8°
C1	C2	C10	122.4°	120.8°
C2	C3	C4	120.9°	120.6°
C3	C2	C10	119.9°	118.4°
C2	C3	H4	119.6°	119.7°
C3	C4	C5	120.8°	122.0°
C4	C3	H4	119.5°	119.8°
C3	C4	H5	119.6°	119.0°
C2	C10	C9	124.2°	122.4°
C2	C10	C6	118.6°	119.1°
C4	C5	C6	120.6°	120.5°
C5	C4	H5	119.6°	119.0°
C4	C5	H6	119.7°	119.7°
C9	C10	C6	117.2°	118.5°
C10	C9	C8	119.5°	118.6°
C10	C9	H9	120.3°	120.7°
C10	C6	C5	119.2°	119.5°
C10	C6	C7	117.4°	118.4°
C9	C8	N	124.2°	121.8°
C9	C8	H8	117.9°	119.1°
C8	C9	H9	120.3°	120.7°
C5	C6	C7	123.4°	122.1°
C6	C5	H6	119.7°	119.8°
C6	C7	N	124.2°	119.8°
C6	C7	H7	117.9°	120.1°
C8	N	C7	117.5°	122.8°
N	C8	H8	117.9°	119.1°
N	C7	H7	117.9°	120.1°
H1	C	H2	109.4°	109.5°
H1	C	H3	109.4°	109.5°
H2	C	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O	C	2.2°	0.0°
O1	C1	O	C2	179.9°	180.0°
O1	C1	C2	C3	46.3°	180.0°
O1	C1	C2	C10	135.1°	0.0°
C	O	C1	C2	177.9°	180.0°
O	C	H1	H2	120.0°	120.0°
O	C	H1	H3	120.0°	120.0°
O	C	H2	H3	120.0°	120.0°
O	C1	C2	C3	133.6°	0.0°
O	C1	C2	C10	45.0°	180.0°
C1	O	C	H1	180.0°	60.0°
C1	O	C	H2	60.0°	60.0°
C1	O	C	H3	60.0°	180.0°
C1	C2	C3	C10	178.6°	180.0°
C1	C2	C3	C4	178.2°	180.0°
C1	C2	C10	C9	1.9°	0.1°
C1	C2	C10	C6	177.7°	180.0°
C1	C2	C3	H4	1.8°	0.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C10	C9	179.6°	179.9°
C3	C2	C10	C6	0.8°	0.1°
C2	C3	C4	H5	179.9°	180.0°
C4	C3	C2	C10	0.4°	0.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	H6	179.9°	179.9°
C2	C10	C9	C6	179.6°	179.9°
C2	C10	C9	C8	179.0°	179.9°
C2	C10	C6	C5	0.8°	0.1°
C2	C10	C6	C7	178.9°	180.0°
C10	C2	C3	H4	179.6°	180.0°
C2	C10	C9	H9	1.0°	0.2°
C4	C5	C6	C10	0.3°	0.0°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	179.3°	180.0°
C5	C4	C3	H4	179.9°	180.0°
C10	C9	C8	H9	180.0°	179.9°
C9	C10	C6	C5	179.6°	180.0°
C9	C10	C6	C7	0.7°	0.1°
C10	C9	C8	N	0.2°	0.0°
C10	C9	C8	H8	179.8°	180.0°
C6	C10	C9	C8	0.6°	0.1°
C10	C6	C5	C7	179.7°	180.0°
C10	C6	C7	N	0.5°	0.0°
C10	C6	C5	H6	179.6°	180.0°
C10	C6	C7	H7	179.4°	180.0°
C6	C10	C9	H9	179.4°	180.0°
C9	C8	N	H8	180.0°	180.0°
C9	C8	N	C7	0.1°	0.0°
C5	C6	C7	N	179.8°	180.0°
C6	C5	C4	H5	179.9°	180.0°
C5	C6	C7	H7	0.2°	0.0°
C6	C7	N	C8	0.1°	0.0°
C6	C7	N	H7	180.0°	180.0°
C7	C6	C5	H6	0.7°	0.1°
C8	N	C7	H7	179.8°	180.0°
N	C8	C9	H9	179.8°	179.9°
C7	N	C8	H8	180.0°	180.0°
H1	C	H2	H3	120.0°	120.0°
H4	C3	C4	H5	0.0°	0.0°
H5	C4	C5	H6	0.1°	0.1°
H8	C8	C9	H9	0.2°	0.1°

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