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Summary Geometry Related PDB entries

TTN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.53Å
C1	O1	doub	1.28Å	1.23Å
C1	O2	sing	1.27Å	1.24Å
C2	C3	sing	1.51Å	1.52Å
C2	O3	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.11Å
C3	O4	doub	1.27Å	1.24Å
C3	O5	sing	1.27Å	1.24Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	120.8°	120.0°
C2	C1	O2	120.2°	120.0°
C1	C2	C3	109.9°	109.5°
C1	C2	O3	110.8°	109.5°
C1	C2	H2	108.3°	109.5°
O1	C1	O2	119.0°	120.0°
C3	C2	O3	109.5°	109.4°
C3	C2	H2	109.6°	109.5°
C2	C3	O4	120.1°	120.0°
C2	C3	O5	119.8°	120.0°
O3	C2	H2	108.6°	109.5°
C2	O3	HO3	110.9°	106.8°
O4	C3	O5	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	179.6°	179.9°
C1	C2	C3	O3	122.0°	120.0°
C1	C2	C3	H2	119.0°	120.0°
C1	C2	O3	H2	118.9°	120.0°
C1	C2	C3	O4	92.3°	120.0°
C1	C2	C3	O5	87.4°	60.0°
C1	C2	O3	HO3	180.0°	59.9°
O1	C1	C2	C3	86.2°	115.0°
O1	C1	C2	O3	35.0°	5.0°
O1	C1	C2	H2	154.1°	124.9°
O2	C1	C2	C3	93.4°	65.0°
O2	C1	C2	O3	145.4°	175.0°
O2	C1	C2	H2	26.3°	55.0°
C3	C2	O3	H2	119.7°	120.0°
C2	C3	O4	O5	179.7°	180.0°
C3	C2	O3	HO3	58.6°	60.1°
O3	C2	C3	O4	145.7°	0.0°
O3	C2	C3	O5	34.6°	180.0°
H2	C2	C3	O4	26.6°	120.0°
H2	C2	C3	O5	153.6°	60.0°
H2	C2	O3	HO3	61.1°	179.9°

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