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Summary Geometry Related PDB entries

N2Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.39Å	1.41Å	Aromatic
C10	C6	doub	1.38Å	1.41Å	Aromatic
C9	N8	doub	1.31Å	1.31Å	Aromatic
O4	C3	sing	1.34Å	1.30Å	Aromatic
O4	C5	sing	1.35Å	1.30Å	Aromatic
C11	C3	sing	1.51Å	1.52Å
C6	C5	sing	1.47Å	1.52Å
C6	N7	sing	1.37Å	1.31Å	Aromatic
N8	N7	sing	1.40Å	1.33Å	Aromatic
C3	C2	doub	1.35Å	1.40Å	Aromatic
C5	C1	doub	1.36Å	1.40Å	Aromatic
C2	C1	sing	1.41Å	1.43Å	Aromatic
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.08Å	1.08Å
C2	H7	sing	1.08Å	1.08Å
N7	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C6	105.3°	107.7°
C10	C9	N8	106.8°	108.7°
C9	C10	H4	127.3°	126.2°
C10	C9	H5	126.6°	125.6°
C10	C6	C5	126.5°	126.5°
C10	C6	N7	106.9°	107.1°
C6	C10	H4	127.4°	126.1°
C9	N8	N7	110.5°	108.8°
N8	C9	H5	126.6°	125.7°
C3	O4	C5	110.9°	109.4°
O4	C3	C11	125.1°	125.7°
O4	C3	C2	109.7°	108.7°
O4	C5	C6	124.9°	126.0°
O4	C5	C1	109.8°	108.0°
C11	C3	C2	125.3°	125.6°
C3	C11	H1	109.5°	109.5°
C3	C11	H2	109.5°	109.5°
C3	C11	H3	109.5°	109.5°
C5	C6	N7	126.6°	126.5°
C6	C5	C1	125.2°	126.0°
C6	N7	N8	110.6°	107.7°
C6	N7	H8	124.7°	126.1°
N8	N7	H8	124.7°	126.1°
C3	C2	C1	104.8°	107.1°
C3	C2	H7	127.6°	126.5°
C5	C1	C2	104.8°	106.8°
C5	C1	H6	127.6°	126.6°
C2	C1	H6	127.6°	126.7°
C1	C2	H7	127.6°	126.5°
H1	C11	H2	109.4°	109.5°
H1	C11	H3	109.5°	109.5°
H2	C11	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C6	H4	180.0°	179.7°
C10	C9	N8	H5	180.0°	179.9°
C9	C10	C6	C5	179.0°	180.0°
C9	C10	C6	N7	0.5°	0.0°
C10	C9	N8	N7	0.1°	0.1°
C6	C10	C9	N8	0.4°	0.0°
C10	C6	C5	O4	6.5°	0.1°
C10	C6	C5	N7	178.2°	179.9°
C10	C6	N7	N8	0.5°	0.0°
C10	C6	C5	C1	172.5°	179.9°
C6	C10	C9	H5	179.6°	179.9°
C10	C6	N7	H8	179.6°	179.9°
C9	N8	N7	C6	0.3°	0.1°
N8	C9	C10	H4	179.6°	179.7°
C9	N8	N7	H8	179.8°	180.0°
O4	C3	C11	C2	179.6°	179.9°
C3	O4	C5	C6	179.0°	179.9°
C3	O4	C5	C1	0.1°	0.1°
O4	C3	C2	C1	0.0°	0.0°
O4	C3	C11	H1	0.0°	0.0°
O4	C3	C11	H2	120.0°	120.0°
O4	C3	C11	H3	120.0°	120.1°
O4	C3	C2	H7	180.0°	180.0°
C5	O4	C3	C11	179.6°	180.0°
O4	C5	C6	C1	178.9°	179.8°
O4	C5	C6	N7	175.4°	179.9°
C5	O4	C3	C2	0.1°	0.0°
O4	C5	C1	C2	0.1°	0.1°
O4	C5	C1	H6	179.9°	180.0°
C11	C3	C2	C1	179.6°	180.0°
C3	C11	H1	H2	120.0°	120.0°
C3	C11	H1	H3	120.0°	120.0°
C3	C11	H2	H3	120.0°	119.9°
C11	C3	C2	H7	0.3°	0.0°
C5	C6	N7	N8	178.9°	180.0°
C6	C5	C1	C2	179.0°	179.9°
C5	C6	C10	H4	1.0°	0.3°
C6	C5	C1	H6	1.0°	0.2°
C5	C6	N7	H8	1.1°	0.1°
C6	N7	N8	H8	180.0°	179.9°
N7	C6	C5	C1	5.7°	0.1°
N7	C6	C10	H4	179.4°	179.7°
N7	N8	C9	H5	179.9°	180.0°
C3	C2	C1	C5	0.0°	0.0°
C3	C2	C1	H7	180.0°	180.0°
C2	C3	C11	H1	179.6°	180.0°
C2	C3	C11	H2	59.6°	59.9°
C2	C3	C11	H3	60.4°	60.0°
C3	C2	C1	H6	179.9°	179.9°
C5	C1	C2	H6	180.0°	179.9°
C5	C1	C2	H7	179.9°	180.0°
H1	C11	H2	H3	120.0°	120.0°
H4	C10	C9	H5	0.4°	0.4°
H6	C1	C2	H7	0.1°	0.1°

246704

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