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Summary Geometry Related PDB entries

ZZT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.40Å	1.34Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	C8	doub	1.39Å	1.41Å	Aromatic
C3	C4	doub	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.51Å	1.51Å
C4	C6	sing	1.38Å	1.40Å	Aromatic
C6	C7	doub	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.40Å	Aromatic
C8	O9	sing	1.36Å	1.34Å
O9	C10	sing	1.43Å	1.45Å
N1	H11N	sing	0.97Å	1.00Å
N1	H12N	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
C5	H53C	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	C3	119.0°	120.1°
N1	C2	C8	121.6°	120.1°
C2	N1	H11N	109.5°	120.0°
C2	N1	H12N	109.5°	120.0°
C3	C2	C8	119.4°	119.8°
C2	C3	C4	120.1°	120.0°
C2	C3	H3	120.0°	120.0°
C2	C8	C7	119.7°	119.9°
C2	C8	O9	122.0°	120.1°
C3	C4	C5	121.3°	119.9°
C3	C4	C6	120.7°	120.2°
C4	C3	H3	119.9°	120.0°
C5	C4	C6	118.0°	119.9°
C4	C5	H51C	109.5°	109.4°
C4	C5	H52C	109.5°	109.5°
C4	C5	H53C	109.5°	109.5°
C4	C6	C7	119.1°	120.2°
C4	C6	H6	120.4°	119.9°
C6	C7	C8	121.1°	120.0°
C7	C6	H6	120.5°	119.9°
C6	C7	H7	119.5°	120.0°
C7	C8	O9	118.4°	120.1°
C8	C7	H7	119.5°	120.0°
C8	O9	C10	123.1°	117.0°
O9	C10	H101	109.5°	109.4°
O9	C10	H102	109.5°	109.4°
O9	C10	H103	109.5°	109.5°
H11N	N1	H12N	109.4°	120.0°
H51C	C5	H52C	109.4°	109.4°
H51C	C5	H53C	109.4°	109.5°
H52C	C5	H53C	109.5°	109.5°
H101	C10	H102	109.5°	109.5°
H101	C10	H103	109.5°	109.5°
H102	C10	H103	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	C8	179.5°	179.8°
N1	C2	C3	C4	179.9°	180.0°
N1	C2	C8	C7	179.7°	179.7°
N1	C2	C8	O9	0.0°	0.0°
C2	N1	H11N	H12N	120.0°	179.8°
N1	C2	C3	H3	0.1°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	179.9°	180.0°
C2	C3	C4	C6	0.4°	0.0°
C3	C2	C8	C7	0.1°	0.6°
C3	C2	C8	O9	179.5°	179.8°
C3	C2	N1	H11N	128.8°	0.1°
C3	C2	N1	H12N	111.2°	179.7°
C8	C2	C3	C4	0.4°	0.2°
C2	C8	C7	C6	0.1°	0.6°
C2	C8	C7	O9	179.7°	179.7°
C2	C8	O9	C10	89.2°	180.0°
C8	C2	N1	H11N	51.7°	179.7°
C8	C2	N1	H12N	68.3°	0.5°
C8	C2	C3	H3	179.6°	179.7°
C2	C8	C7	H7	179.9°	179.8°
C3	C4	C5	C6	179.7°	179.9°
C3	C4	C6	C7	0.2°	0.0°
C3	C4	C5	H51C	59.1°	90.1°
C3	C4	C5	H52C	179.1°	150.0°
C3	C4	C5	H53C	60.9°	29.9°
C3	C4	C6	H6	179.9°	179.9°
C5	C4	C6	C7	179.8°	179.9°
C5	C4	C3	H3	0.1°	0.1°
C4	C5	H51C	H52C	120.0°	120.0°
C4	C5	H51C	H53C	120.0°	120.1°
C4	C5	H52C	H53C	120.0°	120.1°
C5	C4	C6	H6	0.2°	0.0°
C4	C6	C7	H6	180.0°	179.9°
C4	C6	C7	C8	0.1°	0.3°
C6	C4	C3	H3	179.6°	180.0°
C6	C4	C5	H51C	120.6°	90.0°
C6	C4	C5	H52C	0.6°	29.9°
C6	C4	C5	H53C	119.4°	150.0°
C4	C6	C7	H7	179.9°	179.9°
C6	C7	C8	H7	180.0°	179.6°
C6	C7	C8	O9	179.8°	179.7°
C7	C8	O9	C10	91.2°	0.3°
C8	C7	C6	H6	179.9°	179.7°
O9	C8	C7	H7	0.2°	0.1°
C8	O9	C10	H101	32.9°	180.0°
C8	O9	C10	H102	152.9°	60.0°
C8	O9	C10	H103	87.1°	60.0°
O9	C10	H101	H102	120.0°	120.0°
O9	C10	H101	H103	120.0°	120.0°
O9	C10	H102	H103	120.0°	120.0°
H51C	C5	H52C	H53C	120.0°	120.0°
H6	C6	C7	H7	0.1°	0.1°
H101	C10	H102	H103	120.0°	120.0°

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PDB entries from 2026-01-21

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