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Summary Geometry Related PDB entries

7N9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.42Å
O	C1	sing	1.36Å	1.37Å
C7	N	sing	1.47Å	1.49Å
C7	C6	sing	1.51Å	1.51Å
C1	C6	doub	1.39Å	1.40Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	CL	sing	1.74Å	1.75Å
C5	H8	sing	1.08Å	1.08Å
C7	H10	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
N	HN2	sing	1.01Å	1.00Å
N	HN1	sing	1.01Å	1.00Å
C	H3	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C2	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
N	HN3	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	117.8°	117.0°
O	C	H3	109.5°	109.5°
O	C	H5	109.5°	109.4°
O	C	H4	109.5°	109.5°
O	C1	C6	115.2°	120.0°
O	C1	C2	123.9°	120.1°
N	C7	C6	109.1°	109.5°
N	C7	H10	109.5°	109.5°
N	C7	H9	109.5°	109.5°
C7	N	HN2	109.5°	109.5°
C7	N	HN1	109.5°	109.5°
C7	N	HN3	109.5°	109.4°
C7	C6	C1	119.6°	120.0°
C7	C6	C5	122.3°	120.1°
C6	C7	H10	109.6°	109.5°
C6	C7	H9	109.6°	109.5°
C6	C1	C2	121.0°	119.9°
C1	C6	C5	118.1°	119.9°
C1	C2	C3	120.0°	119.9°
C1	C2	H6	120.0°	120.0°
C6	C5	C4	120.3°	120.1°
C6	C5	H8	119.9°	120.0°
C2	C3	C4	119.0°	120.1°
C3	C2	H6	120.0°	120.0°
C2	C3	H7	120.5°	119.9°
C5	C4	C3	121.5°	120.1°
C5	C4	CL	119.1°	120.0°
C4	C5	H8	119.8°	120.0°
C3	C4	CL	119.3°	120.0°
C4	C3	H7	120.5°	120.0°
H10	C7	H9	109.5°	109.4°
HN2	N	HN1	109.5°	109.5°
HN2	N	HN3	109.5°	109.5°
HN1	N	HN3	109.4°	109.4°
H3	C	H5	109.5°	109.5°
H3	C	H4	109.5°	109.5°
H5	C	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C6	178.7°	180.0°
C	O	C1	C2	2.0°	0.0°
O	C	H3	H5	120.0°	119.9°
O	C	H3	H4	120.0°	120.1°
O	C	H5	H4	120.0°	120.0°
O	C1	C6	C7	0.9°	0.1°
O	C1	C6	C2	179.3°	179.9°
O	C1	C6	C5	179.0°	180.0°
O	C1	C2	C3	177.6°	179.7°
C1	O	C	H3	180.0°	60.0°
C1	O	C	H5	60.0°	60.0°
C1	O	C	H4	60.0°	180.0°
O	C1	C2	H6	2.4°	0.0°
N	C7	C6	H10	119.9°	120.0°
N	C7	C6	H9	119.9°	120.0°
N	C7	C6	C1	63.8°	80.1°
N	C7	C6	C5	114.3°	100.0°
N	C7	H10	H9	120.1°	120.0°
C7	N	HN2	HN1	120.0°	120.0°
C7	N	HN2	HN3	120.0°	120.0°
C7	N	HN1	HN3	120.0°	119.9°
C7	C6	C1	C5	178.1°	179.9°
C7	C6	C1	C2	178.4°	180.0°
C7	C6	C5	C4	175.9°	180.0°
C7	C6	C5	H8	4.1°	0.0°
C6	C7	H10	H9	120.2°	120.0°
C6	C7	N	HN2	180.0°	60.0°
C6	C7	N	HN1	60.0°	180.0°
C6	C7	N	HN3	60.0°	60.1°
C6	C1	C2	C3	1.6°	0.2°
C1	C6	C5	C4	2.2°	0.0°
C1	C6	C5	H8	177.8°	179.9°
C1	C6	C7	H10	56.2°	159.9°
C1	C6	C7	H9	176.3°	40.0°
C6	C1	C2	H6	178.4°	180.0°
C2	C1	C6	C5	0.3°	0.1°
C1	C2	C3	H6	180.0°	179.7°
C1	C2	C3	C4	0.4°	0.5°
C1	C2	C3	H7	179.6°	180.0°
C6	C5	C4	H8	180.0°	180.0°
C6	C5	C4	C3	3.5°	0.3°
C6	C5	C4	CL	171.5°	180.0°
C5	C6	C7	H10	125.8°	20.0°
C5	C6	C7	H9	5.7°	140.0°
C2	C3	C4	C5	2.1°	0.6°
C2	C3	C4	H7	180.0°	179.5°
C2	C3	C4	CL	172.8°	179.7°
C5	C4	C3	CL	175.0°	179.7°
C5	C4	C3	H7	177.9°	180.0°
C3	C4	C5	H8	176.6°	179.7°
C4	C3	C2	H6	179.6°	179.7°
CL	C4	C5	H8	8.5°	0.1°
CL	C4	C3	H7	7.2°	0.3°
H10	C7	N	HN2	60.0°	60.1°
H10	C7	N	HN1	60.0°	60.0°
H10	C7	N	HN3	179.9°	179.9°
H9	C7	N	HN2	60.0°	180.0°
H9	C7	N	HN1	179.9°	60.0°
H9	C7	N	HN3	60.0°	60.0°
HN2	N	HN1	HN3	120.0°	120.0°
H3	C	H5	H4	120.0°	120.0°
H6	C2	C3	H7	0.4°	0.3°

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