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Summary Geometry Related PDB entries

UQ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.25Å
C1	C6	sing	1.48Å	1.40Å
C1	C2	sing	1.48Å	1.50Å
C6	C5	doub	1.34Å	1.40Å
C5	CM5	sing	1.51Å	1.51Å
C5	C4	sing	1.48Å	1.49Å
C4	O4	doub	1.21Å	1.24Å
C4	C3	sing	1.48Å	1.49Å
C2	O2	sing	1.36Å	1.39Å
C2	C3	doub	1.35Å	1.50Å
O2	CM2	sing	1.43Å	1.44Å
C3	O3	sing	1.36Å	1.39Å
O3	CM3	sing	1.43Å	1.44Å
C6	H6	sing	1.08Å	1.08Å
CM5	HM51	sing	1.09Å	1.10Å
CM5	HM52	sing	1.09Å	1.10Å
CM5	HM53	sing	1.09Å	1.10Å
CM2	HM21	sing	1.09Å	1.10Å
CM2	HM22	sing	1.09Å	1.10Å
CM2	HM23	sing	1.09Å	1.10Å
CM3	HM31	sing	1.09Å	1.10Å
CM3	HM32	sing	1.09Å	1.10Å
CM3	HM33	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C6	118.3°	120.0°
O1	C1	C2	120.4°	120.0°
C6	C1	C2	121.3°	120.0°
C1	C6	C5	122.6°	120.2°
C1	C6	H6	118.7°	120.0°
C1	C2	O2	121.4°	120.1°
C1	C2	C3	118.2°	119.8°
C6	C5	CM5	120.3°	120.0°
C6	C5	C4	119.9°	120.1°
C5	C6	H6	118.7°	119.9°
CM5	C5	C4	119.7°	119.9°
C5	CM5	HM51	109.5°	109.5°
C5	CM5	HM52	109.5°	109.5°
C5	CM5	HM53	109.5°	109.5°
C5	C4	O4	120.4°	120.0°
C5	C4	C3	120.1°	120.0°
O4	C4	C3	119.5°	120.0°
C4	C3	C2	117.8°	119.9°
C4	C3	O3	119.2°	120.0°
O2	C2	C3	120.4°	120.1°
C2	O2	CM2	122.1°	117.0°
C2	C3	O3	123.0°	120.1°
O2	CM2	HM21	109.5°	109.5°
O2	CM2	HM22	109.5°	109.4°
O2	CM2	HM23	109.5°	109.5°
C3	O3	CM3	122.6°	117.1°
O3	CM3	HM31	109.5°	109.4°
O3	CM3	HM32	109.5°	109.5°
O3	CM3	HM33	109.5°	109.5°
HM51	CM5	HM52	109.5°	109.5°
HM51	CM5	HM53	109.5°	109.5°
HM52	CM5	HM53	109.5°	109.4°
HM21	CM2	HM22	109.4°	109.5°
HM21	CM2	HM23	109.5°	109.5°
HM22	CM2	HM23	109.5°	109.4°
HM31	CM3	HM32	109.5°	109.5°
HM31	CM3	HM33	109.5°	109.4°
HM32	CM3	HM33	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C6	C2	179.6°	179.8°
O1	C1	C6	C5	179.3°	180.0°
O1	C1	C2	O2	0.1°	0.0°
O1	C1	C2	C3	179.4°	179.7°
O1	C1	C6	H6	0.7°	0.1°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	CM5	179.5°	179.9°
C1	C6	C5	C4	0.5°	0.0°
C6	C1	C2	O2	179.5°	179.8°
C6	C1	C2	C3	0.2°	0.5°
C2	C1	C6	C5	0.3°	0.2°
C1	C2	C3	C4	0.2°	0.5°
C1	C2	O2	C3	179.3°	179.7°
C1	C2	O2	CM2	78.1°	66.4°
C1	C2	C3	O3	179.7°	179.7°
C2	C1	C6	H6	179.7°	179.7°
C6	C5	CM5	C4	178.9°	179.9°
C6	C5	C4	O4	179.7°	179.9°
C6	C5	C4	C3	0.6°	0.0°
C6	C5	CM5	HM51	180.0°	0.0°
C6	C5	CM5	HM52	60.0°	120.0°
C6	C5	CM5	HM53	60.0°	120.0°
CM5	C5	C4	O4	0.7°	0.0°
CM5	C5	C4	C3	179.5°	179.9°
CM5	C5	C6	H6	0.5°	0.0°
C5	CM5	HM51	HM52	120.0°	120.0°
C5	CM5	HM51	HM53	120.0°	120.0°
C5	CM5	HM52	HM53	120.0°	120.0°
C5	C4	O4	C3	179.8°	179.9°
C5	C4	C3	C2	0.4°	0.2°
C5	C4	C3	O3	179.5°	180.0°
C4	C5	C6	H6	179.5°	180.0°
C4	C5	CM5	HM51	1.1°	180.0°
C4	C5	CM5	HM52	121.1°	60.0°
C4	C5	CM5	HM53	118.9°	60.0°
O4	C4	C3	C2	179.8°	179.7°
O4	C4	C3	O3	0.2°	0.1°
C4	C3	C2	O2	179.5°	179.8°
C4	C3	C2	O3	179.9°	179.8°
C4	C3	O3	CM3	133.0°	66.3°
O2	C2	C3	O3	0.4°	0.0°
C2	O2	CM2	HM21	180.0°	54.8°
C2	O2	CM2	HM22	60.0°	65.2°
C2	O2	CM2	HM23	60.0°	174.9°
C3	C2	O2	CM2	101.2°	114.0°
C2	C3	O3	CM3	47.1°	113.9°
O2	CM2	HM21	HM22	120.0°	120.0°
O2	CM2	HM21	HM23	120.0°	120.0°
O2	CM2	HM22	HM23	120.0°	119.9°
C3	O3	CM3	HM31	180.0°	55.2°
C3	O3	CM3	HM32	60.0°	175.2°
C3	O3	CM3	HM33	60.0°	64.7°
O3	CM3	HM31	HM32	120.0°	120.1°
O3	CM3	HM31	HM33	120.0°	120.0°
O3	CM3	HM32	HM33	120.0°	120.0°
HM51	CM5	HM52	HM53	120.0°	120.0°
HM21	CM2	HM22	HM23	120.0°	120.0°
HM31	CM3	HM32	HM33	120.0°	119.9°

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