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Summary Geometry Related PDB entries

U9O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	sing	1.47Å	1.47Å
C4	C3	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.53Å
C2	C1	sing	1.51Å	1.51Å
C1	O	doub	1.21Å	1.22Å
C1	C	sing	1.51Å	1.50Å
C	O1	sing	1.43Å	1.70Å
N	H1	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
O1	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C4	C3	107.7°	109.5°
C4	N	H1	109.5°	111.0°
C4	N	H2	109.4°	111.0°
N	C4	H10	109.9°	109.4°
N	C4	H11	109.9°	109.4°
C4	C3	C2	111.5°	109.4°
C4	C3	H8	109.0°	109.4°
C4	C3	H9	109.0°	109.5°
C3	C4	H10	109.9°	109.5°
C3	C4	H11	109.9°	109.4°
C3	C2	C1	110.4°	109.4°
C3	C2	H6	109.2°	109.5°
C3	C2	H7	109.2°	109.5°
C2	C3	H8	109.0°	109.5°
C2	C3	H9	109.0°	109.5°
C2	C1	O	119.7°	120.0°
C2	C1	C	119.2°	120.0°
C1	C2	H6	109.3°	109.4°
C1	C2	H7	109.2°	109.4°
O	C1	C	121.2°	120.0°
C1	C	O1	134.5°	109.5°
C1	C	H4	102.9°	109.5°
C1	C	H5	102.9°	109.5°
O1	C	H4	102.9°	109.5°
O1	C	H5	102.9°	109.4°
C	O1	H12	109.5°	114.0°
H1	N	H2	109.5°	110.9°
H4	C	H5	109.5°	109.4°
H6	C2	H7	109.4°	109.5°
H8	C3	H9	109.4°	109.5°
H10	C4	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C4	C3	H10	119.7°	120.0°
N	C4	C3	H11	119.7°	119.9°
N	C4	C3	C2	168.8°	180.0°
C4	N	H1	H2	120.0°	123.9°
N	C4	C3	H8	70.9°	60.0°
N	C4	C3	H9	48.5°	60.0°
N	C4	H10	H11	120.8°	120.0°
C4	C3	C2	H8	120.3°	120.0°
C4	C3	C2	H9	120.3°	120.0°
C4	C3	C2	C1	110.8°	180.0°
C3	C4	N	H1	180.0°	56.1°
C3	C4	N	H2	60.0°	179.9°
C4	C3	C2	H6	129.0°	60.1°
C4	C3	C2	H7	9.4°	60.0°
C4	C3	H8	H9	119.1°	120.0°
C3	C4	H10	H11	120.8°	120.0°
C3	C2	C1	H6	120.2°	120.0°
C3	C2	C1	H7	120.2°	120.0°
C3	C2	C1	O	13.6°	0.0°
C3	C2	C1	C	166.8°	180.0°
C3	C2	H6	H7	119.5°	120.1°
C2	C3	H8	H9	119.1°	120.0°
C2	C3	C4	H10	49.1°	60.0°
C2	C3	C4	H11	71.5°	60.1°
C2	C1	O	C	179.5°	180.0°
C2	C1	C	O1	152.4°	180.0°
C2	C1	C	H4	29.3°	60.0°
C2	C1	C	H5	84.5°	60.0°
C1	C2	H6	H7	119.6°	120.0°
C1	C2	C3	H8	9.5°	60.0°
C1	C2	C3	H9	128.9°	60.0°
O	C1	C	O1	27.2°	0.0°
O	C1	C	H4	150.3°	120.0°
O	C1	C	H5	95.9°	120.0°
O	C1	C2	H6	106.5°	120.0°
O	C1	C2	H7	133.8°	120.0°
C1	C	O1	H4	123.1°	120.1°
C1	C	O1	H5	123.1°	120.0°
C1	C	H4	H5	108.9°	120.1°
C	C1	C2	H6	73.0°	60.0°
C	C1	C2	H7	46.7°	60.0°
C1	C	O1	H12	180.0°	180.0°
O1	C	H4	H5	108.9°	119.9°
H1	N	C4	H10	60.3°	176.1°
H1	N	C4	H11	60.3°	63.9°
H2	N	C4	H10	59.7°	60.0°
H2	N	C4	H11	179.7°	60.0°
H4	C	O1	H12	56.9°	60.0°
H5	C	O1	H12	56.9°	60.0°
H6	C2	C3	H8	110.7°	180.0°
H6	C2	C3	H9	8.7°	59.9°
H7	C2	C3	H8	129.7°	59.9°
H7	C2	C3	H9	111.0°	180.0°
H8	C3	C4	H10	169.4°	60.0°
H8	C3	C4	H11	48.8°	180.0°
H9	C3	C4	H10	71.2°	180.0°
H9	C3	C4	H11	168.2°	59.9°

248335

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