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Summary Geometry Related PDB entries

N29

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N10	O11	sing	1.21Å	1.42Å	Aromatic
N10	C4	doub	1.31Å	1.31Å	Aromatic
C8	C9	sing	1.53Å	1.50Å
C8	C6	sing	1.51Å	1.51Å
N5	C4	sing	1.39Å	1.40Å
N5	C6	sing	1.35Å	1.36Å
O11	C2	sing	1.34Å	1.35Å	Aromatic
C4	C3	sing	1.42Å	1.40Å	Aromatic
C6	O7	doub	1.21Å	1.23Å
C2	C3	doub	1.35Å	1.34Å	Aromatic
C2	C1	sing	1.51Å	1.48Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.08Å	1.08Å
C8	H17	sing	1.09Å	1.10Å
C8	H20	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
C9	H1	sing	1.09Å	1.10Å
N5	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	N10	C4	105.1°	111.5°
N10	O11	C2	108.2°	111.7°
N10	C4	N5	117.7°	126.9°
N10	C4	C3	111.7°	106.2°
C9	C8	C6	114.3°	109.4°
C9	C8	H17	108.2°	109.5°
C9	C8	H20	108.2°	109.5°
C8	C9	H18	109.5°	109.5°
C8	C9	H19	109.5°	109.5°
C8	C9	H1	109.5°	109.4°
C8	C6	N5	112.6°	120.0°
C8	C6	O7	122.3°	120.0°
C6	C8	H17	108.3°	109.4°
C6	C8	H20	108.2°	109.5°
C4	N5	C6	133.6°	120.0°
N5	C4	C3	130.5°	126.9°
C4	N5	H16	113.2°	120.0°
N5	C6	O7	125.1°	120.0°
C6	N5	H16	113.2°	120.0°
O11	C2	C3	109.5°	106.6°
O11	C2	C1	115.9°	126.7°
C4	C3	C2	105.5°	104.0°
C4	C3	H15	127.3°	128.0°
C3	C2	C1	134.6°	126.7°
C2	C3	H15	127.3°	128.0°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
C2	C1	H14	109.5°	109.4°
H12	C1	H13	109.5°	109.5°
H12	C1	H14	109.5°	109.5°
H13	C1	H14	109.5°	109.4°
H17	C8	H20	109.5°	109.5°
H18	C9	H19	109.4°	109.5°
H18	C9	H1	109.5°	109.5°
H19	C9	H1	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	N10	C4	N5	180.0°	179.7°
O11	N10	C4	C3	0.1°	0.3°
N10	O11	C2	C3	0.0°	0.5°
N10	O11	C2	C1	180.0°	179.8°
N10	C4	N5	C3	179.9°	179.9°
N10	C4	N5	C6	178.3°	180.0°
C4	N10	O11	C2	0.1°	0.5°
N10	C4	C3	C2	0.1°	0.0°
N10	C4	C3	H15	179.9°	180.0°
N10	C4	N5	H16	1.7°	0.1°
C9	C8	C6	H17	120.7°	120.0°
C9	C8	C6	H20	120.7°	120.0°
C9	C8	C6	N5	178.7°	180.0°
C9	C8	C6	O7	1.1°	0.0°
C9	C8	H17	H20	117.7°	120.0°
C8	C9	H18	H19	120.0°	120.1°
C8	C9	H18	H1	120.0°	120.0°
C8	C9	H19	H1	120.0°	120.0°
C8	C6	N5	C4	167.8°	180.0°
C8	C6	N5	O7	179.9°	180.0°
C6	C8	H17	H20	117.8°	120.0°
C6	C8	C9	H18	180.0°	60.1°
C6	C8	C9	H19	60.0°	60.0°
C6	C8	C9	H1	60.0°	179.9°
C8	C6	N5	H16	12.2°	0.0°
C4	N5	C6	H16	180.0°	180.0°
C4	N5	C6	O7	12.3°	0.0°
N5	C4	C3	C2	180.0°	180.0°
N5	C4	C3	H15	0.0°	0.0°
C6	N5	C4	C3	1.6°	0.0°
N5	C6	C8	H17	58.0°	60.0°
N5	C6	C8	H20	60.6°	60.0°
O11	C2	C3	C4	0.0°	0.2°
O11	C2	C3	C1	180.0°	179.8°
O11	C2	C1	H12	0.0°	90.3°
O11	C2	C1	H13	120.0°	29.8°
O11	C2	C1	H14	120.0°	149.7°
O11	C2	C3	H15	179.9°	179.8°
C4	C3	C2	H15	180.0°	180.0°
C4	C3	C2	C1	180.0°	180.0°
C3	C4	N5	H16	178.4°	180.0°
O7	C6	C8	H17	121.9°	120.0°
O7	C6	C8	H20	119.6°	120.0°
O7	C6	N5	H16	167.7°	180.0°
C3	C2	C1	H12	180.0°	90.0°
C3	C2	C1	H13	60.0°	150.0°
C3	C2	C1	H14	60.0°	30.1°
C2	C1	H12	H13	120.0°	120.0°
C2	C1	H12	H14	120.0°	120.0°
C2	C1	H13	H14	120.0°	119.9°
C1	C2	C3	H15	0.0°	0.0°
H12	C1	H13	H14	120.0°	120.1°
H17	C8	C9	H18	59.3°	180.0°
H17	C8	C9	H19	60.7°	60.0°
H17	C8	C9	H1	179.3°	60.0°
H20	C8	C9	H18	59.3°	59.9°
H20	C8	C9	H19	179.3°	NaN°
H20	C8	C9	H1	60.7°	60.1°
H18	C9	H19	H1	120.0°	120.0°

223532

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