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Summary Geometry Related PDB entries

MAZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.44Å	Aromatic
C1	C6	sing	1.38Å	1.43Å	Aromatic
C1	HC1	sing	1.08Å	1.08Å
C2	C3	sing	1.38Å	1.41Å	Aromatic
C2	HC2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.42Å	Aromatic
C3	C12	sing	1.51Å	1.48Å
C4	C5	sing	1.39Å	1.41Å	Aromatic
C4	HC4	sing	1.08Å	1.08Å
C6	C5	doub	1.39Å	1.40Å	Aromatic
C6	HC6	sing	1.08Å	1.08Å
C12	O13	sing	1.45Å	1.44Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
O13	C16	sing	1.35Å	1.30Å
C16	O18	doub	1.21Å	1.29Å
N11	C5	sing	1.40Å	1.35Å
N11	H111	sing	0.97Å	1.00Å
N11	H112	sing	0.97Å	1.00Å
C16	OXT	sing	1.34Å	42.50Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.3°	120.1°
C2	C1	HC1	119.9°	120.0°
C1	C2	C3	118.4°	120.1°
C1	C2	HC2	120.8°	119.9°
C6	C1	HC1	119.8°	119.9°
C1	C6	C5	119.8°	119.9°
C1	C6	HC6	120.1°	120.0°
C3	C2	HC2	120.8°	119.9°
C2	C3	C4	120.8°	120.1°
C2	C3	C12	124.5°	119.9°
C4	C3	C12	114.7°	120.0°
C3	C4	C5	120.5°	119.9°
C3	C4	HC4	119.7°	120.0°
C3	C12	O13	126.1°	109.5°
C3	C12	H121	105.2°	109.4°
C3	C12	H122	105.2°	109.5°
C5	C4	HC4	119.8°	120.0°
C4	C5	C6	120.2°	119.9°
C4	C5	N11	118.5°	120.1°
C5	C6	HC6	120.1°	120.1°
C6	C5	N11	121.3°	120.1°
O13	C12	H121	105.1°	109.4°
O13	C12	H122	105.1°	109.5°
C12	O13	C16	130.1°	117.0°
H121	C12	H122	109.5°	109.5°
O13	C16	O18	121.4°	120.0°
O13	C16	OXT	91.0°	120.0°
O18	C16	OXT	127.9°	120.0°
C5	N11	H111	109.5°	120.0°
C5	N11	H112	109.4°	120.0°
H111	N11	H112	109.5°	120.0°
C16	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	HC1	180.0°	179.7°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	C4	0.8°	0.0°
C1	C2	C3	C12	177.8°	180.0°
C2	C1	C6	C5	0.0°	0.0°
C2	C1	C6	HC6	180.0°	180.0°
C6	C1	C2	C3	0.9°	0.0°
C6	C1	C2	HC2	179.1°	180.0°
C1	C6	C5	C4	1.0°	0.0°
C1	C6	C5	HC6	180.0°	180.0°
C1	C6	C5	N11	179.3°	180.0°
HC1	C1	C2	C3	179.0°	179.7°
HC1	C1	C2	HC2	1.0°	0.3°
HC1	C1	C6	C5	179.9°	179.7°
HC1	C1	C6	HC6	0.1°	0.3°
C2	C3	C4	C12	178.8°	180.0°
C2	C3	C4	C5	0.2°	0.0°
C2	C3	C4	HC4	179.8°	180.0°
C2	C3	C12	O13	93.9°	90.0°
C2	C3	C12	H121	143.9°	150.0°
C2	C3	C12	H122	28.3°	30.0°
HC2	C2	C3	C4	179.2°	180.0°
HC2	C2	C3	C12	2.2°	0.0°
C3	C4	C5	HC4	180.0°	179.9°
C3	C4	C5	C6	1.1°	0.0°
C4	C3	C12	O13	87.4°	90.0°
C4	C3	C12	H121	34.8°	30.0°
C4	C3	C12	H122	150.4°	150.0°
C3	C4	C5	N11	179.2°	180.0°
C12	C3	C4	C5	178.9°	180.0°
C12	C3	C4	HC4	1.1°	0.0°
C3	C12	O13	H121	122.2°	119.9°
C3	C12	O13	H122	122.2°	120.1°
C3	C12	H121	H122	112.5°	120.0°
C3	C12	O13	C16	9.2°	180.0°
C4	C5	C6	N11	179.7°	180.0°
C4	C5	C6	HC6	179.0°	180.0°
C4	C5	N11	H111	180.0°	0.0°
C4	C5	N11	H112	60.0°	180.0°
HC4	C4	C5	C6	178.9°	179.9°
HC4	C4	C5	N11	0.8°	0.0°
C6	C5	N11	H111	0.3°	180.0°
C6	C5	N11	H112	119.7°	0.1°
HC6	C6	C5	N11	0.7°	0.1°
O13	C12	H121	H122	112.5°	120.0°
C12	O13	C16	O18	46.9°	0.1°
C12	O13	C16	OXT	176.2°	180.0°
H121	C12	O13	C16	113.0°	60.1°
H122	C12	O13	C16	131.4°	59.9°
O13	C16	O18	OXT	120.0°	180.0°
O13	C16	OXT	HXT	90.0°	180.0°
O18	C16	OXT	HXT	90.0°	0.0°
C5	N11	H111	H112	120.0°	180.0°

246704

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