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Summary Geometry Related PDB entries

G3E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C8	doub	1.37Å	1.38Å	Aromatic
C4	C1	sing	1.40Å	1.40Å	Aromatic
C7	C9	sing	1.46Å	1.43Å
C7	C3	doub	1.36Å	1.35Å
C7	O11	sing	1.36Å	1.36Å
C6	C2	sing	1.39Å	1.39Å	Aromatic
C6	C10	doub	1.38Å	1.37Å	Aromatic
C9	N5	sing	1.35Å	1.32Å
C9	O12	doub	1.22Å	1.20Å
C8	C10	sing	1.39Å	1.39Å	Aromatic
N5	C2	sing	1.38Å	1.35Å
C1	C2	doub	1.41Å	1.40Å	Aromatic
C1	C3	sing	1.46Å	1.44Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N5	HN5	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
O11	HO11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C4	C1	118.5°	119.9°
C4	C8	C10	121.5°	120.5°
C8	C4	H4	120.8°	120.0°
C4	C8	H8	119.2°	119.8°
C4	C1	C2	120.3°	119.8°
C4	C1	C3	120.4°	120.7°
C1	C4	H4	120.8°	120.1°
C9	C7	C3	118.7°	119.6°
C9	C7	O11	122.3°	120.2°
C7	C9	N5	121.6°	120.9°
C7	C9	O12	119.1°	119.6°
C3	C7	O11	119.1°	120.2°
C7	C3	C1	119.2°	118.7°
C7	C3	H3	120.4°	120.6°
C7	O11	HO11	109.5°	114.0°
C2	C6	C10	120.0°	119.8°
C6	C2	N5	120.8°	120.4°
C6	C2	C1	119.8°	119.4°
C2	C6	H6	120.0°	120.1°
C6	C10	C8	119.9°	120.7°
C10	C6	H6	120.0°	120.1°
C6	C10	H10	120.1°	119.7°
N5	C9	O12	119.2°	119.5°
C9	N5	C2	121.7°	121.1°
C9	N5	HN5	119.1°	119.4°
C10	C8	H8	119.2°	119.7°
C8	C10	H10	120.0°	119.6°
N5	C2	C1	119.4°	120.2°
C2	N5	HN5	119.1°	119.5°
C2	C1	C3	119.3°	119.5°
C1	C3	H3	120.4°	120.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C4	C1	H4	180.0°	179.8°
C4	C8	C10	C6	0.4°	0.0°
C4	C8	C10	H8	180.0°	179.9°
C8	C4	C1	C2	2.0°	0.0°
C8	C4	C1	C3	179.5°	180.0°
C4	C8	C10	H10	179.7°	180.0°
C4	C1	C3	C7	177.9°	180.0°
C4	C1	C2	C6	1.1°	0.0°
C1	C4	C8	C10	1.6°	0.0°
C4	C1	C2	N5	178.9°	180.0°
C4	C1	C2	C3	178.6°	180.0°
C1	C4	C8	H8	178.4°	179.9°
C4	C1	C3	H3	2.1°	0.1°
C9	C7	C3	O11	179.0°	180.0°
C7	C9	N5	O12	178.4°	179.9°
C7	C9	N5	C2	1.7°	0.0°
C9	C7	C3	C1	0.4°	0.0°
C7	C9	N5	HN5	178.3°	180.0°
C9	C7	C3	H3	179.6°	179.9°
C9	C7	O11	HO11	156.9°	0.1°
C3	C7	C9	N5	0.7°	0.0°
C3	C7	C9	O12	179.1°	179.9°
C7	C3	C1	C2	0.6°	0.0°
C7	C3	C1	H3	180.0°	179.9°
C3	C7	O11	HO11	22.1°	179.9°
O11	C7	C9	N5	179.7°	180.0°
O11	C7	C9	O12	1.9°	0.1°
O11	C7	C3	C1	178.5°	180.0°
O11	C7	C3	H3	1.5°	0.1°
C2	C6	C10	H6	180.0°	180.0°
C6	C2	N5	C9	178.5°	180.0°
C2	C6	C10	C8	0.6°	0.0°
C6	C2	N5	C1	180.0°	180.0°
C6	C2	C1	C3	179.7°	180.0°
C6	C2	N5	HN5	1.5°	0.0°
C2	C6	C10	H10	179.4°	180.0°
C6	C10	C8	H10	180.0°	180.0°
C10	C6	C2	N5	179.8°	180.0°
C10	C6	C2	C1	0.2°	0.0°
C6	C10	C8	H8	179.7°	179.9°
C9	N5	C2	HN5	180.0°	180.0°
C9	N5	C2	C1	1.5°	0.0°
O12	C9	N5	C2	179.9°	179.9°
O12	C9	N5	HN5	0.1°	0.1°
C10	C8	C4	H4	178.4°	179.8°
C8	C10	C6	H6	179.4°	180.0°
N5	C2	C1	C3	0.3°	0.0°
N5	C2	C6	H6	0.2°	0.0°
C2	C1	C4	H4	178.1°	179.8°
C1	C2	C6	H6	179.8°	180.0°
C1	C2	N5	HN5	178.5°	180.0°
C2	C1	C3	H3	179.4°	179.9°
C3	C1	C4	H4	0.5°	0.2°
H4	C4	C8	H8	1.6°	0.2°
H6	C6	C10	H10	0.6°	0.0°
H8	C8	C10	H10	0.3°	0.1°

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