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Summary Geometry Related PDB entries

Z19

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.28Å	1.36Å	Aromatic
N1	C5	doub	1.32Å	1.32Å	Aromatic
N2	C3	sing	1.37Å	1.38Å	Aromatic
C3	C4	doub	1.41Å	1.45Å	Aromatic
C3	C10	sing	1.39Å	1.43Å	Aromatic
C4	C5	sing	1.47Å	1.45Å	Aromatic
C4	C13	sing	1.39Å	1.44Å	Aromatic
C5	C6	sing	1.47Å	1.50Å
C6	N7	sing	1.35Å	1.33Å
C6	O9	doub	1.22Å	1.24Å
N7	N8	sing	1.37Å	1.39Å
C10	C11	doub	1.37Å	1.43Å	Aromatic
C11	C12	sing	1.39Å	1.43Å	Aromatic
C12	C13	doub	1.37Å	1.44Å	Aromatic
N2	HN2	sing	0.97Å	1.00Å
N7	HN7	sing	0.97Å	1.00Å
N8	HN8	sing	1.01Å	1.00Å
N8	HN8A	sing	1.01Å	1.00Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C5	106.5°	111.9°
N1	N2	C3	113.8°	111.3°
N1	N2	HN2	123.1°	124.3°
N1	C5	C4	111.2°	106.4°
N1	C5	C6	126.0°	126.8°
N2	C3	C4	103.9°	106.1°
N2	C3	C10	133.8°	134.7°
C3	N2	HN2	123.1°	124.4°
C4	C3	C10	122.3°	119.2°
C3	C4	C5	104.5°	104.3°
C3	C4	C13	117.3°	120.1°
C3	C10	C11	119.1°	119.7°
C3	C10	H10	120.4°	120.1°
C5	C4	C13	138.2°	135.6°
C4	C5	C6	122.7°	126.8°
C4	C13	C12	120.9°	119.5°
C4	C13	H13	119.6°	120.2°
C5	C6	N7	115.2°	120.0°
C5	C6	O9	121.7°	120.0°
N7	C6	O9	123.1°	120.0°
C6	N7	N8	121.0°	120.0°
C6	N7	HN7	119.5°	120.0°
N8	N7	HN7	119.5°	120.0°
N7	N8	HN8	109.5°	111.0°
N7	N8	HN8A	109.4°	111.0°
C10	C11	C12	119.9°	120.9°
C11	C10	H10	120.4°	120.1°
C10	C11	H11	120.0°	119.5°
C11	C12	C13	120.5°	120.5°
C12	C11	H11	120.0°	119.6°
C11	C12	H12	119.7°	119.7°
C13	C12	H12	119.8°	119.8°
C12	C13	H13	119.6°	120.3°
HN8	N8	HN8A	109.5°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	N2	C3	HN2	180.0°	180.0°
N1	N2	C3	C4	0.2°	0.0°
N1	N2	C3	C10	180.0°	180.0°
N2	N1	C5	C4	0.1°	0.0°
N2	N1	C5	C6	179.9°	180.0°
C5	N1	N2	C3	0.2°	0.0°
N1	C5	C4	C3	0.0°	0.0°
N1	C5	C4	C6	180.0°	180.0°
N1	C5	C4	C13	179.9°	179.9°
N1	C5	C6	N7	0.3°	0.1°
N1	C5	C6	O9	179.9°	180.0°
C5	N1	N2	HN2	179.8°	180.0°
N2	C3	C4	C10	179.8°	180.0°
N2	C3	C4	C5	0.1°	0.0°
N2	C3	C4	C13	179.8°	179.9°
N2	C3	C10	C11	179.7°	180.0°
N2	C3	C10	H10	0.3°	0.0°
C3	C4	C5	C13	179.9°	179.9°
C3	C4	C5	C6	180.0°	180.0°
C4	C3	C10	C11	0.1°	0.0°
C3	C4	C13	C12	0.0°	0.1°
C4	C3	N2	HN2	179.8°	180.0°
C4	C3	C10	H10	179.9°	180.0°
C3	C4	C13	H13	179.9°	180.0°
C10	C3	C4	C5	179.9°	180.0°
C10	C3	C4	C13	0.0°	0.1°
C3	C10	C11	H10	180.0°	180.0°
C3	C10	C11	C12	0.2°	0.0°
C10	C3	N2	HN2	0.0°	0.1°
C3	C10	C11	H11	179.8°	180.0°
C4	C5	C6	N7	179.8°	179.9°
C4	C5	C6	O9	0.1°	0.0°
C5	C4	C13	C12	179.9°	180.0°
C5	C4	C13	H13	0.2°	0.1°
C13	C4	C5	C6	0.1°	0.0°
C4	C13	C12	C11	0.0°	0.1°
C4	C13	C12	H13	180.0°	179.9°
C4	C13	C12	H12	180.0°	179.9°
C5	C6	N7	O9	179.7°	180.0°
C5	C6	N7	N8	179.4°	180.0°
C5	C6	N7	HN7	0.6°	0.1°
C6	N7	N8	HN7	180.0°	180.0°
C6	N7	N8	HN8	180.0°	179.9°
C6	N7	N8	HN8A	60.0°	56.0°
O9	C6	N7	N8	0.3°	0.0°
O9	C6	N7	HN7	179.7°	180.0°
N7	N8	HN8	HN8A	120.0°	124.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H12	179.9°	180.0°
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C10	H10	179.8°	180.0°
C11	C12	C13	H13	180.0°	180.0°
C13	C12	C11	H11	179.9°	179.9°
HN7	N7	N8	HN8	0.0°	0.0°
HN7	N7	N8	HN8A	120.0°	124.0°
H10	C10	C11	H11	0.1°	0.0°
H11	C11	C12	H12	0.1°	0.0°
H12	C12	C13	H13	0.0°	0.1°

246704

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