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Summary Geometry Related PDB entries

MY6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C1	sing	1.47Å	1.50Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C3	N2	doub	1.31Å	1.34Å	Aromatic
N2	C12	sing	1.34Å	1.34Å	Aromatic
C3	N4	sing	1.35Å	1.33Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
N4	C5	sing	1.38Å	1.36Å	Aromatic
C12	C5	doub	1.40Å	1.43Å	Aromatic
C5	C6	sing	1.40Å	1.45Å
C6	N8	sing	1.35Å	1.39Å
C6	O7	doub	1.22Å	1.37Å
C9	N8	sing	1.36Å	1.38Å
N8	HN8	sing	0.97Å	1.00Å
N11	C9	doub	1.31Å	1.38Å
C9	N10	sing	1.37Å	1.34Å
N10	HN10	sing	0.97Å	1.00Å
N10	HN1A	sing	0.97Å	1.00Å
C12	N11	sing	1.35Å	1.39Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	C1	H1	109.5°	109.5°
N4	C1	H1A	109.4°	109.4°
N4	C1	H1B	109.5°	109.4°
C1	N4	C3	121.7°	126.5°
C1	N4	C5	128.4°	126.5°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.4°	109.5°
H1A	C1	H1B	109.5°	109.5°
C3	N2	C12	109.1°	109.8°
N2	C3	N4	109.0°	110.0°
N2	C3	H3	125.5°	125.0°
N2	C12	C5	107.3°	106.9°
N2	C12	N11	132.1°	133.8°
N4	C3	H3	125.5°	125.0°
C3	N4	C5	109.9°	107.1°
N4	C5	C12	104.8°	106.2°
N4	C5	C6	138.0°	134.7°
C12	C5	C6	117.2°	119.1°
C5	C12	N11	120.6°	119.2°
C5	C6	N8	119.2°	118.4°
C5	C6	O7	122.9°	120.8°
N8	C6	O7	117.9°	120.8°
C6	N8	C9	122.4°	120.3°
C6	N8	HN8	118.8°	119.8°
C9	N8	HN8	118.8°	119.9°
N8	C9	N11	119.3°	122.0°
N8	C9	N10	120.8°	119.0°
N11	C9	N10	119.9°	119.0°
C9	N11	C12	121.3°	121.0°
C9	N10	HN10	120.0°	120.1°
C9	N10	HN1A	120.0°	120.0°
HN10	N10	HN1A	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C1	H1	H1A	120.0°	120.0°
N4	C1	H1	H1B	120.0°	120.0°
N4	C1	H1A	H1B	120.0°	119.9°
C1	N4	C3	N2	179.7°	180.0°
C1	N4	C3	C5	179.3°	180.0°
C1	N4	C3	H3	0.3°	0.0°
C1	N4	C5	C12	179.6°	180.0°
C1	N4	C5	C6	1.1°	0.0°
H1	C1	H1A	H1B	120.0°	120.1°
H1	C1	N4	C3	180.0°	90.0°
H1	C1	N4	C5	0.9°	90.0°
H1A	C1	N4	C3	60.0°	150.0°
H1A	C1	N4	C5	119.2°	30.0°
H1B	C1	N4	C3	60.0°	30.0°
H1B	C1	N4	C5	120.8°	150.0°
N2	C3	N4	H3	180.0°	180.0°
N2	C3	N4	C5	0.4°	0.0°
C3	N2	C12	C5	0.1°	0.0°
C3	N2	C12	N11	179.9°	180.0°
C12	N2	C3	N4	0.3°	0.0°
C12	N2	C3	H3	179.6°	180.0°
N2	C12	C5	N4	0.1°	0.0°
N2	C12	C5	N11	180.0°	180.0°
N2	C12	C5	C6	179.6°	180.0°
N2	C12	N11	C9	179.9°	180.0°
C3	N4	C5	C12	0.3°	0.0°
C3	N4	C5	C6	179.7°	180.0°
H3	C3	N4	C5	179.5°	180.0°
N4	C5	C12	C6	179.5°	180.0°
N4	C5	C6	N8	179.9°	180.0°
N4	C5	C6	O7	1.1°	0.0°
N4	C5	C12	N11	179.8°	180.0°
C12	C5	C6	N8	0.7°	0.0°
C12	C5	C6	O7	179.7°	180.0°
C5	C12	N11	C9	0.0°	0.0°
C5	C6	N8	O7	179.0°	180.0°
C5	C6	N8	C9	0.7°	0.0°
C5	C6	N8	HN8	179.3°	179.9°
C6	C5	C12	N11	0.4°	0.0°
C6	N8	C9	HN8	180.0°	179.9°
C6	N8	C9	N11	0.3°	0.0°
C6	N8	C9	N10	180.0°	180.0°
O7	C6	N8	C9	179.7°	180.0°
O7	C6	N8	HN8	0.3°	0.1°
N8	C9	N11	N10	179.6°	180.0°
N8	C9	N10	HN10	179.6°	0.0°
N8	C9	N10	HN1A	0.4°	180.0°
N8	C9	N11	C12	0.0°	0.0°
HN8	N8	C9	N11	179.7°	179.9°
HN8	N8	C9	N10	0.1°	0.1°
N11	C9	N10	HN10	0.0°	180.0°
N11	C9	N10	HN1A	180.0°	0.0°
C9	N10	HN10	HN1A	180.0°	180.0°
N10	C9	N11	C12	179.6°	180.0°

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