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Summary Geometry Related PDB entries

ZZ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C8	doub	1.22Å	1.27Å
C8	O1	sing	1.34Å	1.39Å	Aromatic
C8	C7	sing	1.41Å	1.40Å	Aromatic
O1	C11	sing	1.35Å	1.37Å	Aromatic
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	C4	sing	1.41Å	1.40Å	Aromatic
C10	C1	sing	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C1	C2	doub	1.39Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.37Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.47Å	1.50Å	Aromatic
C5	C6	sing	1.51Å	1.51Å
C5	C7	doub	1.36Å	1.39Å	Aromatic
C6	H6C1	sing	1.09Å	1.11Å
C6	H6C2	sing	1.09Å	1.11Å
C6	H6C3	sing	1.09Å	1.11Å
C7	H7	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C8	O1	117.8°	119.2°
O8	C8	C7	122.6°	119.1°
O1	C8	C7	119.6°	121.7°
C8	O1	C11	123.5°	121.5°
C8	C7	C5	120.1°	119.8°
C8	C7	H7	120.0°	120.1°
O1	C11	C10	119.7°	120.8°
O1	C11	C4	119.7°	119.9°
C10	C11	C4	120.5°	119.4°
C11	C10	C1	120.6°	119.8°
C11	C10	H10	119.7°	120.1°
C11	C4	C3	118.7°	119.9°
C11	C4	C5	117.9°	119.0°
C1	C10	H10	119.7°	120.1°
C10	C1	C2	118.8°	120.7°
C10	C1	H1	120.6°	119.7°
C2	C1	H1	120.6°	119.7°
C1	C2	C3	120.6°	120.5°
C1	C2	H2	119.7°	119.8°
C3	C2	H2	119.7°	119.7°
C2	C3	C4	120.8°	119.7°
C2	C3	H3	119.6°	120.2°
C4	C3	H3	119.6°	120.1°
C3	C4	C5	123.4°	121.1°
C4	C5	C6	120.7°	120.9°
C4	C5	C7	119.2°	118.2°
C6	C5	C7	120.1°	120.9°
C5	C6	H6C1	120.0°	109.5°
C5	C6	H6C2	108.4°	109.4°
C5	C6	H6C3	108.4°	109.5°
C5	C7	H7	119.9°	120.1°
H6C1	C6	H6C2	108.4°	109.5°
H6C1	C6	H6C3	108.4°	109.5°
H6C2	C6	H6C3	101.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C8	O1	C7	178.4°	180.0°
O8	C8	O1	C11	179.3°	180.0°
O8	C8	C7	C5	178.0°	180.0°
O8	C8	C7	H7	2.0°	0.0°
C8	O1	C11	C10	179.6°	180.0°
C8	O1	C11	C4	2.4°	0.2°
O1	C8	C7	C5	0.4°	0.0°
O1	C8	C7	H7	179.6°	180.0°
C7	C8	O1	C11	0.9°	0.0°
C8	C7	C5	C4	0.1°	0.2°
C8	C7	C5	C6	179.5°	180.0°
C8	C7	C5	H7	180.0°	180.0°
O1	C11	C10	C4	177.1°	179.8°
O1	C11	C10	C1	176.9°	180.0°
O1	C11	C10	H10	3.1°	0.0°
O1	C11	C4	C3	178.2°	179.7°
O1	C11	C4	C5	2.5°	0.5°
C11	C10	C1	H10	180.0°	180.0°
C11	C10	C1	C2	1.7°	0.0°
C11	C10	C1	H1	178.3°	180.0°
C10	C11	C4	C3	1.0°	0.5°
C10	C11	C4	C5	179.7°	179.8°
C4	C11	C10	C1	0.2°	0.2°
C4	C11	C10	H10	179.8°	179.8°
C11	C4	C3	C2	0.8°	0.5°
C11	C4	C3	C5	179.3°	179.2°
C11	C4	C3	H3	179.2°	179.7°
C11	C4	C5	C6	179.1°	179.8°
C11	C4	C5	C7	1.3°	0.4°
C10	C1	C2	H1	180.0°	180.0°
C10	C1	C2	C3	1.9°	0.0°
C10	C1	C2	H2	178.1°	180.0°
H10	C10	C1	C2	178.3°	180.0°
H10	C10	C1	H1	1.7°	0.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.7°	0.2°
C1	C2	C3	H3	179.3°	180.0°
H1	C1	C2	C3	178.1°	180.0°
H1	C1	C2	H2	1.9°	0.0°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C5	179.9°	179.8°
H2	C2	C3	C4	179.3°	179.7°
H2	C2	C3	H3	0.7°	0.1°
C3	C4	C5	C6	0.2°	0.5°
C3	C4	C5	C7	179.4°	179.7°
H3	C3	C4	C5	0.0°	0.5°
C4	C5	C6	C7	179.6°	179.8°
C4	C5	C6	H6C1	0.4°	179.8°
C4	C5	C6	H6C2	125.7°	60.3°
C4	C5	C6	H6C3	124.9°	59.8°
C4	C5	C7	H7	179.9°	179.8°
C5	C6	H6C1	H6C2	125.3°	119.9°
C5	C6	H6C1	H6C3	125.3°	120.0°
C5	C6	H6C2	H6C3	114.1°	120.0°
C6	C5	C7	H7	0.5°	0.0°
C7	C5	C6	H6C1	180.0°	0.0°
C7	C5	C6	H6C2	54.7°	120.0°
C7	C5	C6	H6C3	54.7°	120.0°
H6C1	C6	H6C2	H6C3	114.1°	120.1°

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