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Summary Geometry Related PDB entries

DSJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.36Å	0.00Å	Aromatic
C4	C5	sing	1.39Å	0.00Å	Aromatic
C3	C2	sing	1.40Å	0.00Å	Aromatic
C	C1	sing	1.51Å	0.00Å
N	C5	sing	1.39Å	0.00Å
C5	C6	doub	1.39Å	0.00Å	Aromatic
C2	C1	sing	1.46Å	0.00Å
C2	C7	doub	1.41Å	0.00Å	Aromatic
C1	O	doub	1.21Å	0.00Å
C6	C7	sing	1.38Å	0.00Å	Aromatic
C7	O1	sing	1.36Å	0.00Å
C4	H4	sing	1.08Å	0.00Å
C6	H7	sing	1.08Å	0.00Å
C3	H3	sing	1.08Å	0.00Å
C	H1	sing	1.09Å	0.00Å
C	H2	sing	1.09Å	0.00Å
C	H	sing	1.09Å	0.00Å
O1	H8	sing	0.97Å	0.00Å
N	H5	sing	0.97Å	0.00Å
N	H6	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	90.0°	120.4°
C4	C3	C2	90.0°	120.1°
C3	C4	H4	90.0°	119.8°
C4	C3	H3	90.0°	120.0°
C4	C5	N	90.0°	119.9°
C4	C5	C6	90.0°	120.3°
C5	C4	H4	90.0°	119.8°
C3	C2	C1	90.0°	120.1°
C3	C2	C7	90.0°	119.7°
C2	C3	H3	90.0°	119.9°
C	C1	C2	90.0°	120.0°
C	C1	O	90.0°	120.0°
C1	C	H1	90.0°	109.5°
C1	C	H2	90.0°	109.4°
C1	C	H	90.0°	109.5°
N	C5	C6	90.0°	119.9°
C5	N	H5	90.0°	120.0°
C5	N	H6	90.0°	120.0°
C5	C6	C7	90.0°	119.9°
C5	C6	H7	90.0°	120.0°
C1	C2	C7	90.0°	120.2°
C2	C1	O	90.0°	120.0°
C2	C7	C6	90.0°	119.7°
C2	C7	O1	90.0°	120.1°
C6	C7	O1	90.0°	120.2°
C7	C6	H7	90.0°	120.1°
C7	O1	H8	90.0°	114.0°
H1	C	H2	90.0°	109.5°
H1	C	H	90.0°	109.5°
H2	C	H	90.0°	109.5°
H5	N	H6	90.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H4	90.0°	179.7°
C4	C3	C2	H3	90.0°	179.7°
C3	C4	C5	N	90.0°	180.0°
C3	C4	C5	C6	90.0°	0.3°
C4	C3	C2	C1	90.0°	180.0°
C4	C3	C2	C7	90.0°	0.1°
C5	C4	C3	C2	90.0°	0.3°
C4	C5	N	C6	90.0°	179.7°
C4	C5	C6	C7	90.0°	0.0°
C4	C5	C6	H7	90.0°	179.9°
C5	C4	C3	H3	90.0°	180.0°
C4	C5	N	H5	90.0°	0.1°
C4	C5	N	H6	90.0°	180.0°
C3	C2	C1	C	90.0°	0.0°
C3	C2	C1	C7	90.0°	180.0°
C3	C2	C1	O	90.0°	180.0°
C3	C2	C7	C6	90.0°	0.2°
C3	C2	C7	O1	90.0°	180.0°
C2	C3	C4	H4	90.0°	180.0°
C	C1	C2	O	90.0°	180.0°
C	C1	C2	C7	90.0°	180.0°
C1	C	H1	H2	90.0°	119.9°
C1	C	H1	H	90.0°	120.1°
C1	C	H2	H	90.0°	120.0°
N	C5	C6	C7	90.0°	179.7°
N	C5	C4	H4	90.0°	0.3°
N	C5	C6	H7	90.0°	0.3°
C5	N	H5	H6	90.0°	179.9°
C5	C6	C7	C2	90.0°	0.2°
C5	C6	C7	H7	90.0°	180.0°
C5	C6	C7	O1	90.0°	180.0°
C6	C5	C4	H4	90.0°	180.0°
C6	C5	N	H5	90.0°	179.7°
C6	C5	N	H6	90.0°	0.3°
C1	C2	C7	C6	90.0°	179.7°
C1	C2	C7	O1	90.0°	0.1°
C1	C2	C3	H3	90.0°	0.3°
C2	C1	C	H1	90.0°	60.0°
C2	C1	C	H2	90.0°	180.0°
C2	C1	C	H	90.0°	60.0°
C7	C2	C1	O	90.0°	0.1°
C2	C7	C6	O1	90.0°	179.8°
C2	C7	C6	H7	90.0°	179.8°
C7	C2	C3	H3	90.0°	179.7°
C2	C7	O1	H8	90.0°	90.2°
O	C1	C	H1	90.0°	120.0°
O	C1	C	H2	90.0°	0.0°
O	C1	C	H	90.0°	119.9°
C6	C7	O1	H8	90.0°	90.0°
O1	C7	C6	H7	90.0°	0.0°
H4	C4	C3	H3	90.0°	0.3°
H1	C	H2	H	90.0°	120.0°

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