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Summary Geometry Related PDB entries

0TU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C6	sing	1.74Å	1.74Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C5	sing	1.39Å	1.38Å	Aromatic
C2	C6	sing	1.39Å	1.38Å	Aromatic
C3	C4	sing	1.40Å	1.38Å	Aromatic
C3	C6	doub	1.37Å	1.38Å	Aromatic
C4	C5	doub	1.41Å	1.38Å	Aromatic
C4	C7	sing	1.46Å	1.45Å
C5	N10	sing	1.38Å	1.40Å
C7	C8	doub	1.36Å	1.34Å
C8	C9	sing	1.41Å	1.49Å
C9	N10	sing	1.34Å	1.39Å
C9	O11	doub	1.22Å	1.23Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N10	HN10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C6	C2	120.0°	119.7°
CL	C6	C3	119.8°	119.8°
C2	C1	C5	118.4°	119.8°
C1	C2	C6	121.0°	120.7°
C2	C1	H1	120.8°	120.1°
C1	C2	H2	119.5°	119.7°
C1	C5	C4	120.9°	119.4°
C1	C5	N10	120.2°	121.0°
C5	C1	H1	120.8°	120.1°
C2	C6	C3	120.2°	120.5°
C6	C2	H2	119.5°	119.7°
C4	C3	C6	119.1°	119.8°
C3	C4	C5	120.5°	119.8°
C3	C4	C7	119.9°	121.2°
C4	C3	H3	120.5°	120.1°
C6	C3	H3	120.5°	120.2°
C5	C4	C7	119.7°	119.0°
C4	C5	N10	119.0°	119.6°
C4	C7	C8	122.1°	118.5°
C4	C7	H7	119.0°	120.7°
C5	N10	C9	123.0°	120.9°
C5	N10	HN10	118.5°	119.5°
C7	C8	C9	118.8°	120.2°
C8	C7	H7	119.0°	120.7°
C7	C8	H8	120.6°	119.9°
C8	C9	N10	117.6°	121.7°
C8	C9	O11	118.2°	119.2°
C9	C8	H8	120.6°	119.9°
N10	C9	O11	124.2°	119.2°
C9	N10	HN10	118.5°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C6	C2	C1	179.5°	180.0°
CL	C6	C2	C3	179.8°	180.0°
CL	C6	C3	C4	179.0°	180.0°
CL	C6	C2	H2	0.5°	0.0°
CL	C6	C3	H3	1.0°	0.0°
C2	C1	C5	H1	180.0°	179.8°
C1	C2	C6	H2	180.0°	180.0°
C1	C2	C6	C3	0.4°	0.0°
C2	C1	C5	C4	1.3°	0.0°
C2	C1	C5	N10	179.7°	180.0°
C5	C1	C2	C6	0.7°	0.0°
C1	C5	C4	C3	0.9°	0.0°
C1	C5	C4	N10	179.0°	180.0°
C1	C5	C4	C7	179.1°	180.0°
C1	C5	N10	C9	179.3°	180.0°
C5	C1	C2	H2	179.3°	180.0°
C1	C5	N10	HN10	0.7°	0.0°
C2	C6	C3	C4	0.8°	0.0°
C6	C2	C1	H1	179.3°	179.8°
C2	C6	C3	H3	179.2°	180.0°
C4	C3	C6	H3	180.0°	180.0°
C3	C4	C5	C7	180.0°	180.0°
C3	C4	C5	N10	179.9°	180.0°
C3	C4	C7	C8	179.8°	180.0°
C3	C4	C7	H7	0.2°	0.1°
C6	C3	C4	C5	0.2°	0.0°
C6	C3	C4	C7	179.8°	180.0°
C3	C6	C2	H2	179.7°	180.0°
C5	C4	C7	C8	0.3°	0.0°
C4	C5	N10	C9	0.2°	0.0°
C4	C5	C1	H1	178.6°	179.8°
C5	C4	C3	H3	179.8°	180.0°
C5	C4	C7	H7	179.8°	179.9°
C4	C5	N10	HN10	179.7°	180.0°
C7	C4	C5	N10	0.1°	0.0°
C4	C7	C8	H7	180.0°	180.0°
C4	C7	C8	C9	0.4°	0.1°
C7	C4	C3	H3	0.2°	0.0°
C4	C7	C8	H8	179.6°	179.9°
C5	N10	C9	C8	0.4°	0.0°
C5	N10	C9	HN10	180.0°	180.0°
C5	N10	C9	O11	179.7°	179.9°
N10	C5	C1	H1	0.3°	0.3°
C7	C8	C9	H8	180.0°	179.8°
C7	C8	C9	N10	0.5°	0.1°
C7	C8	C9	O11	179.6°	180.0°
C8	C9	N10	O11	179.9°	179.9°
C9	C8	C7	H7	179.6°	179.8°
C8	C9	N10	HN10	179.6°	179.9°
N10	C9	C8	H8	179.5°	179.9°
O11	C9	C8	H8	0.4°	0.2°
O11	C9	N10	HN10	0.3°	0.1°
H1	C1	C2	H2	0.8°	0.2°
H7	C7	C8	H8	0.4°	0.0°

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