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Summary Geometry Related PDB entries

03V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.40Å	1.37Å	Aromatic
C1	C7	sing	1.36Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
O1	C2	sing	1.36Å	1.33Å
O1	HO1	sing	0.97Å	0.95Å
C3	C2	sing	1.37Å	1.36Å	Aromatic
C3	C4	doub	1.40Å	1.37Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C11	C4	sing	1.41Å	1.35Å	Aromatic
C4	C5	sing	1.42Å	1.48Å	Aromatic
C5	C8	sing	1.40Å	1.39Å	Aromatic
C5	C7	doub	1.41Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C9	C8	doub	1.36Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C9	sing	1.39Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C11	C10	doub	1.36Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C7	120.9°	120.9°
C2	C1	H1	119.6°	119.5°
C1	C2	O1	119.3°	119.6°
C1	C2	C3	123.1°	120.8°
C7	C1	H1	119.5°	119.5°
C1	C7	C5	118.9°	119.7°
C1	C7	H7	120.5°	120.1°
C2	O1	HO1	109.5°	114.0°
O1	C2	C3	117.7°	119.6°
C2	C3	C4	118.1°	119.6°
C2	C3	H3	121.0°	120.2°
C4	C3	H3	121.0°	120.2°
C3	C4	C11	119.8°	121.2°
C3	C4	C5	120.5°	119.4°
C11	C4	C5	119.7°	119.4°
C4	C11	C10	117.5°	119.6°
C4	C11	H11	121.3°	120.2°
C4	C5	C8	120.9°	119.4°
C4	C5	C7	118.5°	119.4°
C8	C5	C7	120.5°	121.2°
C5	C8	C9	118.1°	119.7°
C5	C8	H8	121.0°	120.2°
C5	C7	H7	120.5°	120.1°
C9	C8	H8	120.9°	120.1°
C8	C9	C10	119.6°	121.0°
C8	C9	H9	120.2°	119.5°
C10	C9	H9	120.2°	119.5°
C9	C10	C11	124.2°	121.0°
C9	C10	H10	117.9°	119.5°
C11	C10	H10	117.9°	119.5°
C10	C11	H11	121.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C7	H1	180.0°	179.7°
C1	C2	O1	C3	179.5°	180.0°
C1	C2	O1	HO1	180.0°	90.0°
C1	C2	C3	C4	1.1°	0.1°
C1	C2	C3	H3	178.9°	180.0°
C2	C1	C7	C5	0.2°	0.0°
C2	C1	C7	H7	179.8°	179.7°
C7	C1	C2	O1	179.5°	180.0°
C7	C1	C2	C3	1.0°	0.0°
C1	C7	C5	C4	1.2°	0.0°
C1	C7	C5	C8	179.6°	180.0°
C1	C7	C5	H7	180.0°	179.6°
H1	C1	C2	O1	0.5°	0.3°
H1	C1	C2	C3	179.0°	179.7°
H1	C1	C7	C5	179.8°	179.7°
H1	C1	C7	H7	0.2°	0.1°
O1	C2	C3	C4	179.4°	180.0°
O1	C2	C3	H3	0.6°	0.0°
HO1	O1	C2	C3	0.5°	89.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C11	179.3°	180.0°
C2	C3	C4	C5	0.1°	0.1°
C3	C4	C11	C5	179.3°	180.0°
C3	C4	C5	C8	179.5°	180.0°
C3	C4	C5	C7	1.1°	0.0°
C3	C4	C11	C10	179.9°	180.0°
C3	C4	C11	H11	0.1°	0.0°
H3	C3	C4	C11	0.6°	0.0°
H3	C3	C4	C5	179.9°	180.0°
C11	C4	C5	C8	0.2°	0.0°
C11	C4	C5	C7	178.2°	180.0°
C4	C11	C10	C9	0.8°	0.1°
C4	C11	C10	H11	180.0°	179.9°
C4	C11	C10	H10	179.2°	180.0°
C4	C5	C8	C7	178.4°	180.0°
C4	C5	C7	H7	178.8°	179.6°
C4	C5	C8	C9	0.2°	0.0°
C4	C5	C8	H8	179.8°	180.0°
C5	C4	C11	C10	0.6°	0.1°
C5	C4	C11	H11	179.3°	180.0°
C8	C5	C7	H7	0.4°	0.4°
C5	C8	C9	H8	180.0°	180.0°
C5	C8	C9	C10	0.1°	0.0°
C5	C8	C9	H9	179.9°	180.0°
C7	C5	C8	C9	178.6°	180.0°
C7	C5	C8	H8	1.4°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.4°	0.1°
C8	C9	C10	H10	179.6°	179.9°
H8	C8	C9	C10	179.9°	180.0°
H8	C8	C9	H9	0.1°	0.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	H11	179.2°	180.0°
H9	C9	C10	C11	179.6°	180.0°
H9	C9	C10	H10	0.4°	0.1°
H10	C10	C11	H11	0.8°	0.1°

218853

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