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Summary Geometry Related PDB entries

MZZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.32Å	Aromatic
C1	C6	sing	1.39Å	1.24Å	Aromatic
C1	N7	sing	1.39Å	1.59Å
C2	C3	sing	1.37Å	1.31Å	Aromatic
C3	C4	doub	1.40Å	1.30Å	Aromatic
C4	C5	sing	1.40Å	1.33Å	Aromatic
C4	C8	sing	1.47Å	1.50Å
C5	C6	doub	1.37Å	1.32Å	Aromatic
C8	N9	sing	1.35Å	1.39Å
C8	O12	doub	1.22Å	1.41Å
N9	C17	sing	1.37Å	1.27Å	Aromatic
N9	C20	sing	1.36Å	1.25Å	Aromatic
C17	C18	doub	1.34Å	1.41Å	Aromatic
C18	N19	sing	1.34Å	1.31Å	Aromatic
N19	C20	doub	1.30Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
N7	HN7	sing	0.97Å	1.00Å
N7	HN7A	sing	0.97Å	1.00Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	109.0°	120.2°
C2	C1	N7	125.2°	120.0°
C1	C2	C3	130.3°	120.1°
C1	C2	H2	114.8°	119.9°
C6	C1	N7	125.8°	119.9°
C1	C6	C5	125.1°	120.0°
C1	C6	H6	117.4°	120.0°
C1	N7	HN7	109.5°	120.0°
C1	N7	HN7A	109.5°	120.0°
C2	C3	C4	118.9°	119.9°
C3	C2	H2	114.8°	120.0°
C2	C3	H3	120.6°	120.0°
C3	C4	C5	112.4°	119.9°
C3	C4	C8	116.6°	120.1°
C4	C3	H3	120.5°	120.1°
C5	C4	C8	131.0°	120.1°
C4	C5	C6	124.2°	119.9°
C4	C5	H5	117.9°	120.1°
C4	C8	N9	133.0°	120.0°
C4	C8	O12	110.2°	120.0°
C6	C5	H5	117.9°	120.0°
C5	C6	H6	117.4°	120.0°
N9	C8	O12	116.6°	120.0°
C8	N9	C17	121.9°	126.5°
C8	N9	C20	124.3°	126.5°
C17	N9	C20	113.8°	106.9°
N9	C17	C18	104.8°	106.8°
N9	C17	H17	127.6°	126.6°
N9	C20	N19	108.1°	108.5°
N9	C20	H20	125.9°	125.7°
C17	C18	N19	108.0°	108.3°
C18	C17	H17	127.6°	126.6°
C17	C18	H18	126.0°	125.9°
C18	N19	C20	105.3°	109.5°
N19	C18	H18	126.0°	125.8°
N19	C20	H20	126.0°	125.8°
HN7	N7	HN7A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	N7	177.0°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	1.2°	0.1°
C2	C1	C6	C5	2.9°	0.0°
C1	C2	C3	H3	178.8°	179.9°
C2	C1	C6	H6	177.1°	179.9°
C2	C1	N7	HN7	180.0°	0.1°
C2	C1	N7	HN7A	60.0°	180.0°
C6	C1	C2	C3	2.1°	0.1°
C1	C6	C5	C4	3.2°	0.0°
C1	C6	C5	H6	180.0°	179.9°
C6	C1	C2	H2	177.9°	180.0°
C1	C6	C5	H5	176.8°	180.0°
C6	C1	N7	HN7	3.5°	179.7°
C6	C1	N7	HN7A	116.5°	0.3°
N7	C1	C2	C3	179.1°	179.8°
N7	C1	C6	C5	179.9°	179.7°
N7	C1	C2	H2	0.9°	0.4°
N7	C1	C6	H6	0.1°	0.2°
C1	N7	HN7	HN7A	120.0°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.9°	0.0°
C2	C3	C4	C8	178.8°	180.0°
C3	C4	C5	C8	179.6°	180.0°
C3	C4	C5	C6	1.8°	0.0°
C3	C4	C8	N9	124.0°	143.1°
C3	C4	C8	O12	50.7°	36.8°
C4	C3	C2	H2	178.8°	179.9°
C3	C4	C5	H5	178.2°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C5	C4	C8	N9	56.4°	36.9°
C5	C4	C8	O12	128.9°	143.1°
C5	C4	C3	H3	179.1°	180.0°
C4	C5	C6	H6	176.8°	179.9°
C8	C4	C5	C6	177.8°	180.0°
C4	C8	N9	O12	174.5°	180.0°
C4	C8	N9	C17	177.2°	176.3°
C4	C8	N9	C20	6.4°	3.5°
C8	C4	C3	H3	1.2°	0.0°
C8	C4	C5	H5	2.2°	0.0°
C8	N9	C17	C20	176.8°	179.8°
C8	N9	C17	C18	178.3°	180.0°
C8	N9	C20	N19	178.5°	179.8°
C8	N9	C17	H17	1.7°	0.1°
C8	N9	C20	H20	1.5°	0.0°
O12	C8	N9	C17	2.7°	3.7°
O12	C8	N9	C20	179.1°	176.5°
N9	C17	C18	H17	180.0°	180.0°
N9	C17	C18	N19	0.7°	0.1°
C17	N9	C20	N19	1.8°	0.4°
N9	C17	C18	H18	179.3°	180.0°
C17	N9	C20	H20	178.2°	179.8°
C20	N9	C17	C18	1.6°	0.2°
N9	C20	N19	C18	1.2°	0.4°
N9	C20	N19	H20	180.0°	179.8°
C20	N9	C17	H17	178.5°	179.8°
C17	C18	N19	H18	180.0°	180.0°
C17	C18	N19	C20	0.3°	0.3°
N19	C18	C17	H17	179.3°	180.0°
C18	N19	C20	H20	178.7°	179.7°
C20	N19	C18	H18	179.7°	179.7°
H2	C2	C3	H3	1.2°	0.1°
H5	C5	C6	H6	3.2°	0.1°
H17	C17	C18	H18	0.7°	0.0°

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