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Summary Geometry Related PDB entries

X9W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	C2	sing	1.82Å	1.85Å
P1	O2	doub	1.48Å	1.46Å
P1	C3	sing	1.82Å	1.86Å
P1	C4	sing	1.82Å	1.86Å
C1	O1	doub	1.21Å	1.27Å
C1	C2	sing	1.51Å	1.51Å
C1	O4	sing	1.34Å	1.26Å
C2	O3	sing	1.43Å	1.41Å
C2	H2	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
O3	H1	sing	0.97Å	0.95Å
O4	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	P1	O2	103.8°	109.5°
C2	P1	C3	111.6°	109.5°
C2	P1	C4	111.2°	109.4°
P1	C2	C1	112.1°	109.4°
P1	C2	O3	104.3°	109.5°
P1	C2	H2	106.4°	109.5°
O2	P1	C3	110.4°	109.5°
O2	P1	C4	110.8°	109.5°
C3	P1	C4	108.9°	109.5°
P1	C3	H5	109.5°	109.4°
P1	C3	H3	109.5°	109.5°
P1	C3	H4	109.5°	109.5°
P1	C4	H6	109.5°	109.5°
P1	C4	H7	109.5°	109.4°
P1	C4	H8	109.4°	109.5°
O1	C1	C2	119.3°	120.0°
O1	C1	O4	123.7°	120.0°
C2	C1	O4	117.0°	120.0°
C1	C2	O3	111.8°	109.5°
C1	C2	H2	110.2°	109.5°
C1	O4	H9	109.5°	117.0°
O3	C2	H2	111.8°	109.4°
C2	O3	H1	109.5°	114.0°
H5	C3	H3	109.5°	109.5°
H5	C3	H4	109.5°	109.5°
H3	C3	H4	109.4°	109.5°
H6	C4	H7	109.5°	109.5°
H6	C4	H8	109.4°	109.5°
H7	C4	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	P1	O2	C3	119.8°	120.0°
C2	P1	O2	C4	119.5°	120.0°
C2	P1	C3	C4	123.2°	120.0°
P1	C2	C1	O1	56.4°	30.0°
P1	C2	C1	O3	116.7°	120.0°
P1	C2	C1	H2	118.3°	120.1°
P1	C2	C1	O4	126.0°	150.3°
P1	C2	O3	H2	114.5°	120.0°
C2	P1	C3	H5	180.0°	60.0°
C2	P1	C3	H3	60.0°	180.0°
C2	P1	C3	H4	60.0°	60.0°
C2	P1	C4	H6	180.0°	60.0°
C2	P1	C4	H7	60.0°	180.0°
C2	P1	C4	H8	60.0°	60.1°
P1	C2	O3	H1	20.6°	60.0°
O2	P1	C3	C4	121.9°	120.0°
O2	P1	C2	C1	160.7°	60.0°
O2	P1	C2	O3	39.6°	180.0°
O2	P1	C2	H2	78.7°	60.0°
O2	P1	C3	H5	65.1°	180.0°
O2	P1	C3	H3	54.9°	60.0°
O2	P1	C3	H4	174.9°	60.0°
O2	P1	C4	H6	65.0°	60.0°
O2	P1	C4	H7	174.9°	60.0°
O2	P1	C4	H8	54.9°	180.0°
C3	P1	C2	C1	80.4°	60.0°
C3	P1	C2	O3	158.5°	60.0°
C3	P1	C2	H2	40.2°	180.0°
P1	C3	H5	H3	120.0°	120.0°
P1	C3	H5	H4	120.0°	120.0°
P1	C3	H3	H4	120.0°	120.0°
C3	P1	C4	H6	56.6°	180.0°
C3	P1	C4	H7	63.5°	60.0°
C3	P1	C4	H8	176.5°	59.9°
C4	P1	C2	C1	41.5°	180.0°
C4	P1	C2	O3	79.6°	60.0°
C4	P1	C2	H2	162.0°	60.0°
C4	P1	C3	H5	56.8°	60.0°
C4	P1	C3	H3	176.8°	60.0°
C4	P1	C3	H4	63.2°	179.9°
P1	C4	H6	H7	120.0°	119.9°
P1	C4	H6	H8	120.0°	120.1°
P1	C4	H7	H8	120.0°	120.0°
O1	C1	C2	O4	177.5°	179.7°
O1	C1	C2	O3	173.1°	150.0°
O1	C1	C2	H2	61.8°	90.0°
O1	C1	O4	H9	0.0°	0.0°
C1	C2	O3	H2	124.2°	120.0°
C1	C2	O3	H1	141.9°	60.0°
C2	C1	O4	H9	177.4°	179.7°
O4	C1	C2	O3	9.3°	30.3°
O4	C1	C2	H2	115.7°	89.7°
H2	C2	O3	H1	93.9°	179.9°
H5	C3	H3	H4	120.0°	120.0°
H6	C4	H7	H8	120.0°	120.1°

227344

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