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Summary Geometry Related PDB entries

LDW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F11	C10	sing	1.35Å	1.32Å
C10	C9	doub	1.38Å	1.40Å	Aromatic
C10	C12	sing	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.40Å	Aromatic
C8	C7	doub	1.39Å	1.41Å	Aromatic
C13	C7	sing	1.39Å	1.40Å	Aromatic
C7	O6	sing	1.36Å	1.39Å
O6	C5	sing	1.36Å	1.39Å
C5	C14	doub	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.41Å	Aromatic
C14	N15	sing	1.32Å	1.35Å	Aromatic
C4	C3	doub	1.38Å	1.41Å	Aromatic
N15	C2	doub	1.32Å	1.35Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	N1	sing	1.39Å	1.35Å
C3	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
N1	H5	sing	0.97Å	1.00Å
N1	H6	sing	0.97Å	1.00Å
C4	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)
F11	C10	C9	119.1°	119.9°
F11	C10	C12	119.7°	120.0°
C9	C10	C12	121.2°	120.1°
C10	C9	C8	118.9°	120.0°
C10	C9	H9	120.6°	120.1°
C10	C12	C13	119.7°	120.0°
C10	C12	H2	120.2°	120.0°
C9	C8	C7	120.5°	120.0°
C9	C8	H8	119.8°	120.0°
C8	C9	H9	120.5°	119.9°
C12	C13	C7	119.6°	120.0°
C13	C12	H2	120.1°	120.0°
C12	C13	H3	120.2°	120.0°
C8	C7	C13	120.1°	119.9°
C8	C7	O6	122.5°	120.0°
C7	C8	H8	119.8°	120.0°
C13	C7	O6	117.4°	120.1°
C7	C13	H3	120.2°	119.9°
C7	O6	C5	121.8°	118.0°
O6	C5	C14	118.8°	120.4°
O6	C5	C4	121.8°	120.4°
C14	C5	C4	119.3°	119.2°
C5	C14	N15	119.8°	120.8°
C5	C14	H4	120.1°	119.6°
C5	C4	C3	119.2°	118.5°
C5	C4	H7	120.4°	120.8°
C14	N15	C2	122.8°	121.7°
N15	C14	H4	120.1°	119.6°
C4	C3	C2	119.0°	119.1°
C4	C3	H1	120.5°	120.4°
C3	C4	H7	120.4°	120.8°
N15	C2	C3	119.9°	120.7°
N15	C2	N1	118.5°	119.7°
C3	C2	N1	121.6°	119.6°
C2	C3	H1	120.5°	120.4°
C2	N1	H5	109.5°	120.0°
C2	N1	H6	109.4°	120.0°
H5	N1	H6	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F11	C10	C9	C12	179.5°	179.5°
F11	C10	C9	C8	179.2°	180.0°
F11	C10	C12	C13	178.8°	180.0°
F11	C10	C12	H2	1.2°	0.3°
F11	C10	C9	H9	0.8°	0.2°
C10	C9	C8	H9	180.0°	179.7°
C9	C10	C12	C13	0.8°	0.6°
C10	C9	C8	C7	1.1°	0.3°
C9	C10	C12	H2	179.3°	179.8°
C10	C9	C8	H8	178.9°	179.8°
C12	C10	C9	C8	0.3°	0.6°
C10	C12	C13	H2	180.0°	179.7°
C10	C12	C13	C7	2.0°	0.3°
C10	C12	C13	H3	178.0°	179.7°
C12	C10	C9	H9	179.7°	179.7°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C13	2.3°	0.0°
C9	C8	C7	O6	179.8°	180.0°
C12	C13	C7	C8	2.8°	0.0°
C12	C13	C7	H3	180.0°	180.0°
C12	C13	C7	O6	179.3°	180.0°
C8	C7	C13	O6	177.9°	180.0°
C8	C7	O6	C5	3.6°	78.6°
C8	C7	C13	H3	177.2°	180.0°
C7	C8	C9	H9	178.9°	180.0°
C13	C7	O6	C5	178.6°	101.4°
C7	C13	C12	H2	178.0°	179.9°
C13	C7	C8	H8	177.6°	179.9°
C7	O6	C5	C14	106.8°	175.8°
C7	O6	C5	C4	73.8°	3.9°
O6	C7	C13	H3	0.7°	0.0°
O6	C7	C8	H8	0.2°	0.1°
O6	C5	C14	C4	179.4°	179.7°
O6	C5	C14	N15	178.6°	180.0°
O6	C5	C4	C3	179.1°	179.7°
O6	C5	C14	H4	1.4°	0.6°
O6	C5	C4	H7	0.9°	0.3°
C5	C14	N15	H4	180.0°	179.4°
C14	C5	C4	C3	1.5°	0.0°
C5	C14	N15	C2	1.2°	0.6°
C14	C5	C4	H7	178.5°	180.0°
C4	C5	C14	N15	2.0°	0.3°
C5	C4	C3	H7	180.0°	180.0°
C5	C4	C3	C2	0.3°	0.1°
C5	C4	C3	H1	179.7°	180.0°
C4	C5	C14	H4	178.0°	179.7°
C14	N15	C2	C3	0.0°	0.5°
C14	N15	C2	N1	179.3°	179.7°
C4	C3	C2	N15	0.5°	0.2°
C4	C3	C2	H1	180.0°	179.9°
C4	C3	C2	N1	179.7°	180.0°
N15	C2	C3	N1	179.2°	179.8°
N15	C2	C3	H1	179.5°	179.7°
C2	N15	C14	H4	178.8°	180.0°
N15	C2	N1	H5	0.0°	179.7°
N15	C2	N1	H6	120.0°	0.2°
C3	C2	N1	H5	179.3°	0.1°
C3	C2	N1	H6	60.7°	180.0°
C2	C3	C4	H7	179.7°	180.0°
N1	C2	C3	H1	0.3°	0.1°
C2	N1	H5	H6	120.0°	179.9°
H1	C3	C4	H7	0.3°	0.1°
H2	C12	C13	H3	2.0°	0.1°
H8	C8	C9	H9	1.1°	0.1°

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