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Summary Geometry Related PDB entries

8N2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	O1	sing	1.43Å	1.43Å
C	O	sing	1.43Å	1.42Å
O	C1	sing	1.36Å	1.36Å
O1	C6	sing	1.36Å	1.38Å
C1	C6	doub	1.39Å	1.40Å	Aromatic
C1	C2	sing	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C2	C3	doub	1.39Å	1.38Å	Aromatic
C5	C8	sing	1.47Å	1.47Å
C5	C4	doub	1.40Å	1.40Å	Aromatic
C8	C9	doub	1.35Å	1.34Å
C3	C4	sing	1.38Å	1.38Å	Aromatic
O2	C10	doub	1.22Å	1.26Å
C9	C10	sing	1.42Å	1.50Å
C10	O3	sing	1.35Å	1.27Å
O3	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	O1	C6	116.6°	117.0°
O1	C7	H3	109.5°	109.4°
O1	C7	H4	109.5°	109.4°
O1	C7	H5	109.5°	109.5°
C	O	C1	117.3°	117.0°
O	C	H10	109.5°	109.5°
O	C	H11	109.5°	109.5°
O	C	H12	109.5°	109.5°
O	C1	C6	117.1°	120.0°
O	C1	C2	123.2°	120.0°
O1	C6	C1	120.3°	120.2°
O1	C6	C5	119.0°	120.2°
C6	C1	C2	119.7°	120.0°
C1	C6	C5	120.7°	119.6°
C1	C2	C3	119.9°	120.4°
C1	C2	H9	120.0°	119.8°
C6	C5	C8	122.8°	120.2°
C6	C5	C4	118.2°	119.7°
C2	C3	C4	120.5°	120.4°
C2	C3	H8	119.8°	119.8°
C3	C2	H9	120.0°	119.8°
C8	C5	C4	118.8°	120.2°
C5	C8	C9	121.4°	120.0°
C5	C8	H6	119.3°	120.1°
C5	C4	C3	121.0°	120.0°
C5	C4	H2	119.5°	120.0°
C8	C9	C10	127.1°	120.0°
C9	C8	H6	119.3°	119.9°
C8	C9	H7	116.5°	120.0°
C3	C4	H2	119.5°	120.1°
C4	C3	H8	119.8°	119.8°
O2	C10	C9	119.9°	120.0°
O2	C10	O3	123.9°	120.0°
C9	C10	O3	116.2°	120.0°
C10	C9	H7	116.4°	120.0°
C10	O3	H1	109.5°	114.0°
H3	C7	H4	109.5°	109.5°
H3	C7	H5	109.4°	109.5°
H4	C7	H5	109.5°	109.5°
H10	C	H11	109.5°	109.4°
H10	C	H12	109.5°	109.4°
H11	C	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	O1	C6	C1	70.7°	90.0°
C7	O1	C6	C5	111.9°	90.0°
O1	C7	H3	H4	120.0°	120.0°
O1	C7	H3	H5	120.0°	120.0°
O1	C7	H4	H5	120.0°	120.0°
C	O	C1	C6	176.6°	180.0°
C	O	C1	C2	2.7°	0.2°
O	C	H10	H11	120.0°	119.9°
O	C	H10	H12	120.0°	120.0°
O	C	H11	H12	120.0°	120.1°
O	C1	C6	O1	2.1°	0.0°
O	C1	C6	C2	179.3°	179.8°
O	C1	C6	C5	179.4°	180.0°
O	C1	C2	C3	179.6°	179.9°
O	C1	C2	H9	0.4°	0.1°
C1	O	C	H10	180.0°	60.0°
C1	O	C	H11	60.0°	60.0°
C1	O	C	H12	60.0°	179.9°
O1	C6	C1	C5	177.4°	180.0°
O1	C6	C1	C2	177.2°	179.7°
O1	C6	C5	C8	1.4°	0.0°
O1	C6	C5	C4	177.8°	180.0°
C6	O1	C7	H3	180.0°	180.0°
C6	O1	C7	H4	60.0°	60.0°
C6	O1	C7	H5	60.0°	60.0°
C6	C1	C2	C3	0.3°	0.3°
C1	C6	C5	C8	176.0°	180.0°
C1	C6	C5	C4	0.4°	0.0°
C6	C1	C2	H9	179.7°	179.7°
C2	C1	C6	C5	0.1°	0.3°
C1	C2	C3	H9	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H8	180.0°	180.0°
C6	C5	C8	C4	176.3°	180.0°
C6	C5	C8	C9	154.9°	180.0°
C6	C5	C4	C3	0.7°	0.2°
C6	C5	C4	H2	179.3°	180.0°
C6	C5	C8	H6	25.1°	0.0°
C2	C3	C4	C5	0.5°	0.2°
C2	C3	C4	H8	180.0°	179.9°
C2	C3	C4	H2	179.5°	180.0°
C5	C8	C9	H6	180.0°	179.9°
C8	C5	C4	C3	175.8°	179.8°
C5	C8	C9	C10	176.2°	180.0°
C8	C5	C4	H2	4.2°	0.1°
C5	C8	C9	H7	3.8°	0.1°
C4	C5	C8	C9	21.5°	0.0°
C5	C4	C3	H2	180.0°	179.7°
C4	C5	C8	H6	158.5°	180.0°
C5	C4	C3	H8	179.5°	179.7°
C8	C9	C10	O2	1.0°	0.0°
C8	C9	C10	H7	180.0°	179.9°
C8	C9	C10	O3	178.5°	180.0°
C4	C3	C2	H9	180.0°	179.9°
O2	C10	C9	O3	179.5°	180.0°
O2	C10	O3	H1	0.0°	0.0°
O2	C10	C9	H7	179.0°	180.0°
C9	C10	O3	H1	179.5°	180.0°
C10	C9	C8	H6	3.8°	0.0°
O3	C10	C9	H7	1.5°	0.0°
H2	C4	C3	H8	0.5°	0.0°
H3	C7	H4	H5	120.0°	120.1°
H6	C8	C9	H7	176.2°	180.0°
H8	C3	C2	H9	0.0°	0.0°
H10	C	H11	H12	120.0°	120.0°

223532

PDB entries from 2024-08-07

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