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Summary Geometry Related PDB entries

PNZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.40Å	Aromatic
C6	C5	sing	1.38Å	1.41Å	Aromatic
C6	N10	sing	1.48Å	1.42Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	doub	1.38Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C4	sing	1.38Å	1.40Å	Aromatic
C9	C3	sing	1.51Å	1.52Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N2	C3	sing	1.47Å	1.40Å
N2	H2N1	sing	1.01Å	1.00Å
N2	H2N2	sing	1.01Å	1.00Å
C3	H3C1	sing	1.09Å	1.10Å
C3	H3C2	sing	1.09Å	1.10Å
N10	O11	doub	1.22Å	1.22Å
N10	O12	sing	1.22Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	119.7°	120.0°
C7	C6	N10	120.2°	120.0°
C6	C7	C8	119.4°	120.0°
C6	C7	H7	120.3°	120.0°
C5	C6	N10	120.1°	120.0°
C6	C5	C4	121.0°	119.9°
C6	C5	H5	119.5°	120.0°
C6	N10	O11	120.9°	120.0°
C6	N10	O12	120.6°	120.0°
C8	C7	H7	120.3°	120.0°
C7	C8	C9	120.4°	120.0°
C7	C8	H8	119.8°	120.0°
C9	C8	H8	119.8°	120.0°
C8	C9	C4	120.8°	120.0°
C8	C9	C3	120.1°	120.0°
C4	C9	C3	119.2°	120.0°
C9	C4	C5	118.7°	120.0°
C9	C4	H4	120.6°	120.0°
C9	C3	N2	114.2°	109.4°
C9	C3	H3C1	106.9°	109.5°
C9	C3	H3C2	108.0°	109.4°
C5	C4	H4	120.6°	119.9°
C4	C5	H5	119.5°	120.0°
C3	N2	H2N1	109.4°	106.7°
C3	N2	H2N2	109.5°	106.7°
N2	C3	H3C1	106.8°	109.5°
N2	C3	H3C2	107.9°	109.5°
H2N1	N2	H2N2	109.5°	106.7°
H3C1	C3	H3C2	113.2°	109.5°
O11	N10	O12	118.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	N10	179.3°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.8°	0.0°
C6	C7	C8	H8	179.2°	180.0°
C7	C6	C5	C4	0.4°	0.2°
C7	C6	C5	H5	179.6°	180.0°
C7	C6	N10	O11	176.8°	180.0°
C7	C6	N10	O12	3.2°	0.0°
C5	C6	C7	C8	0.7°	0.1°
C5	C6	C7	H7	179.3°	180.0°
C6	C5	C4	C9	0.2°	0.5°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	H4	179.8°	180.0°
C5	C6	N10	O11	2.5°	0.0°
C5	C6	N10	O12	177.5°	180.0°
N10	C6	C7	C8	179.9°	179.9°
N10	C6	C7	H7	0.1°	0.0°
N10	C6	C5	C4	179.6°	179.8°
N10	C6	C5	H5	0.4°	0.0°
C6	N10	O11	O12	180.0°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C4	0.6°	0.3°
C7	C8	C9	C3	179.7°	180.0°
H7	C7	C8	C9	179.2°	179.9°
H7	C7	C8	H8	0.8°	0.1°
C8	C9	C4	C3	179.7°	179.7°
C8	C9	C4	C5	0.3°	0.5°
C8	C9	C4	H4	179.7°	180.0°
C8	C9	C3	N2	6.9°	90.0°
C8	C9	C3	H3C1	111.0°	30.0°
C8	C9	C3	H3C2	126.9°	150.0°
H8	C8	C9	C4	179.4°	179.7°
H8	C8	C9	C3	0.3°	0.1°
C9	C4	C5	H4	180.0°	179.5°
C9	C4	C5	H5	179.8°	179.7°
C4	C9	C3	N2	173.4°	90.3°
C4	C9	C3	H3C1	68.7°	149.7°
C4	C9	C3	H3C2	53.4°	29.7°
C3	C9	C4	C5	180.0°	179.8°
C3	C9	C4	H4	0.0°	0.3°
C9	C3	N2	H3C1	117.9°	120.0°
C9	C3	N2	H3C2	120.0°	119.9°
C9	C3	N2	H2N1	93.3°	180.0°
C9	C3	N2	H2N2	146.7°	66.2°
C9	C3	H3C1	H3C2	118.7°	120.0°
H4	C4	C5	H5	0.2°	0.2°
C3	N2	H2N1	H2N2	120.0°	113.8°
N2	C3	H3C1	H3C2	118.7°	120.0°
H2N1	N2	C3	H3C1	24.6°	60.0°
H2N1	N2	C3	H3C2	146.7°	60.1°
H2N2	N2	C3	H3C1	95.4°	53.8°
H2N2	N2	C3	H3C2	26.7°	173.8°

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