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Summary Geometry Related PDB entries

70T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.38Å	1.40Å	Aromatic
C7	C4	sing	1.39Å	1.41Å	Aromatic
C8	C9	sing	1.39Å	1.42Å	Aromatic
C4	N3	sing	1.38Å	1.37Å	Aromatic
C4	C5	doub	1.41Å	1.48Å	Aromatic
N3	C2	sing	1.37Å	1.36Å	Aromatic
C9	N11	sing	1.48Å	1.43Å
C9	C10	doub	1.37Å	1.41Å	Aromatic
O13	N11	doub	1.22Å	1.23Å
N11	O12	sing	1.22Å	1.41Å
C5	C10	sing	1.40Å	1.41Å	Aromatic
C5	C6	sing	1.47Å	1.43Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	C6	doub	1.34Å	1.39Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
N3	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C4	120.4°	119.8°
C7	C8	C9	121.2°	120.7°
C8	C7	H2	119.8°	120.1°
C7	C8	H3	119.4°	119.6°
C7	C4	N3	136.5°	133.5°
C7	C4	C5	118.7°	119.3°
C4	C7	H2	119.8°	120.1°
C8	C9	N11	120.8°	119.8°
C8	C9	C10	119.6°	120.5°
C9	C8	H3	119.4°	119.7°
N3	C4	C5	104.8°	107.1°
C4	N3	C2	111.2°	109.9°
C4	N3	H8	124.4°	125.0°
C4	C5	C10	119.5°	120.0°
C4	C5	C6	108.0°	106.0°
N3	C2	C1	132.6°	125.0°
N3	C2	C6	110.8°	109.9°
C2	N3	H8	124.4°	125.1°
N11	C9	C10	119.6°	119.7°
C9	N11	O13	121.3°	120.0°
C9	N11	O12	120.0°	119.9°
C9	C10	C5	120.5°	119.8°
C9	C10	H4	119.8°	120.1°
O13	N11	O12	118.7°	120.0°
C10	C5	C6	132.5°	134.0°
C5	C10	H4	119.7°	120.1°
C5	C6	C2	105.2°	107.0°
C5	C6	H1	127.4°	126.5°
C1	C2	C6	116.5°	125.0°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.4°	109.4°
C2	C1	H7	109.5°	109.5°
C2	C6	H1	127.4°	126.5°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.4°
H6	C1	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C4	H2	180.0°	180.0°
C7	C8	C9	H3	180.0°	180.0°
C8	C7	C4	N3	180.0°	180.0°
C8	C7	C4	C5	0.1°	0.2°
C7	C8	C9	N11	179.9°	180.0°
C7	C8	C9	C10	0.3°	0.4°
C4	C7	C8	C9	0.1°	0.0°
C7	C4	N3	C5	179.9°	179.8°
C7	C4	N3	C2	179.7°	180.0°
C7	C4	C5	C10	0.1°	0.2°
C7	C4	C5	C6	179.8°	179.8°
C4	C7	C8	H3	179.9°	180.0°
C7	C4	N3	H8	0.3°	0.2°
C8	C9	N11	C10	179.6°	179.7°
C8	C9	N11	O13	63.3°	180.0°
C8	C9	N11	O12	116.5°	0.0°
C8	C9	C10	C5	0.3°	0.4°
C9	C8	C7	H2	179.9°	180.0°
C8	C9	C10	H4	179.7°	179.7°
C4	N3	C2	H8	180.0°	179.8°
N3	C4	C5	C10	180.0°	180.0°
N3	C4	C5	C6	0.1°	0.0°
C4	N3	C2	C1	179.4°	179.8°
C4	N3	C2	C6	0.3°	0.5°
N3	C4	C7	H2	0.1°	0.0°
C5	C4	N3	C2	0.2°	0.3°
C4	C5	C10	C9	0.1°	0.1°
C4	C5	C10	C6	179.9°	180.0°
C4	C5	C6	C2	0.0°	0.3°
C4	C5	C6	H1	180.0°	179.9°
C5	C4	C7	H2	179.8°	179.8°
C4	C5	C10	H4	179.9°	180.0°
C5	C4	N3	H8	179.8°	180.0°
N3	C2	C6	C5	0.1°	0.5°
N3	C2	C1	C6	179.6°	179.7°
N3	C2	C6	H1	179.9°	179.9°
N3	C2	C1	H5	90.2°	89.8°
N3	C2	C1	H6	149.8°	30.2°
N3	C2	C1	H7	29.8°	150.3°
C9	N11	O13	O12	179.8°	180.0°
N11	C9	C10	C5	179.9°	179.9°
N11	C9	C8	H3	0.1°	0.0°
N11	C9	C10	H4	0.1°	0.1°
C10	C9	N11	O13	117.1°	0.4°
C10	C9	N11	O12	63.1°	179.7°
C9	C10	C5	H4	180.0°	179.8°
C9	C10	C5	C6	180.0°	179.9°
C10	C9	C8	H3	179.7°	179.6°
C10	C5	C6	C2	179.9°	179.7°
C10	C5	C6	H1	0.1°	0.1°
C5	C6	C2	C1	179.5°	179.8°
C5	C6	C2	H1	180.0°	179.6°
C6	C5	C10	H4	0.0°	0.0°
C1	C2	C6	H1	0.5°	0.2°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H6	H7	120.0°	120.0°
C1	C2	N3	H8	0.6°	0.0°
C6	C2	C1	H5	90.2°	89.9°
C6	C2	C1	H6	29.8°	150.1°
C6	C2	C1	H7	149.8°	30.0°
C6	C2	N3	H8	179.7°	179.8°
H2	C7	C8	H3	0.1°	0.0°
H5	C1	H6	H7	120.0°	120.0°

223166

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