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Summary Geometry Related PDB entries

RKX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C8	doub	1.30Å	1.26Å
C8	N2	sing	1.38Å	1.35Å
C8	C5	sing	1.48Å	1.48Å
C5	C4	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.37Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C7	C2	sing	1.39Å	1.38Å	Aromatic
C2	O1	sing	1.36Å	1.38Å
O1	C1	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
N2	H9	sing	0.97Å	1.00Å
N2	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C8	N2	118.3°	120.0°
N1	C8	C5	123.7°	120.0°
C8	N1	H8	112.0°	120.0°
N2	C8	C5	117.9°	120.0°
C8	N2	H9	120.0°	119.9°
C8	N2	H10	120.0°	120.0°
C8	C5	C4	121.7°	120.1°
C8	C5	C6	120.2°	120.1°
C4	C5	C6	118.0°	119.8°
C5	C4	C3	120.5°	119.9°
C5	C4	H5	119.8°	120.0°
C5	C6	C7	121.8°	119.9°
C5	C6	H6	119.1°	120.1°
C4	C3	C2	120.6°	120.1°
C4	C3	H4	119.7°	119.9°
C3	C4	H5	119.7°	120.1°
C6	C7	C2	120.1°	120.1°
C7	C6	H6	119.1°	120.0°
C6	C7	H7	120.0°	119.9°
C3	C2	C7	118.9°	120.2°
C3	C2	O1	129.6°	119.9°
C2	C3	H4	119.7°	120.0°
C7	C2	O1	111.5°	119.9°
C2	C7	H7	119.9°	120.0°
C2	O1	C1	120.3°	117.0°
O1	C1	H1	109.5°	109.5°
O1	C1	H2	109.5°	109.5°
O1	C1	H3	109.5°	109.4°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.4°
H9	N2	H10	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C8	N2	C5	175.5°	180.0°
N1	C8	C5	C4	8.7°	0.0°
N1	C8	C5	C6	174.4°	180.0°
N1	C8	N2	H9	175.5°	180.0°
N1	C8	N2	H10	4.5°	0.0°
N2	C8	C5	C4	176.0°	180.0°
N2	C8	C5	C6	0.9°	0.0°
N2	C8	N1	H8	175.3°	180.0°
C8	N2	H9	H10	180.0°	180.0°
C8	C5	C4	C6	177.0°	180.0°
C8	C5	C4	C3	179.1°	180.0°
C8	C5	C6	C7	179.7°	179.8°
C8	C5	C4	H5	0.9°	0.0°
C8	C5	C6	H6	0.3°	0.0°
C5	C8	N1	H8	0.0°	0.0°
C5	C8	N2	H9	0.0°	0.0°
C5	C8	N2	H10	180.0°	180.0°
C5	C4	C3	H5	180.0°	179.9°
C4	C5	C6	C7	3.2°	0.2°
C5	C4	C3	C2	1.6°	0.0°
C5	C4	C3	H4	178.4°	180.0°
C4	C5	C6	H6	176.7°	180.0°
C6	C5	C4	C3	3.9°	0.0°
C5	C6	C7	H6	180.0°	179.7°
C5	C6	C7	C2	0.2°	0.5°
C6	C5	C4	H5	176.1°	180.0°
C5	C6	C7	H7	179.8°	180.0°
C4	C3	C2	H4	180.0°	179.9°
C4	C3	C2	C7	1.4°	0.2°
C4	C3	C2	O1	180.0°	180.0°
C6	C7	C2	C3	2.1°	0.5°
C6	C7	C2	H7	180.0°	179.5°
C6	C7	C2	O1	179.0°	179.8°
C3	C2	C7	O1	178.8°	179.7°
C3	C2	O1	C1	11.1°	180.0°
C2	C3	C4	H5	178.3°	180.0°
C3	C2	C7	H7	177.8°	180.0°
C7	C2	O1	C1	167.6°	0.3°
C7	C2	C3	H4	178.6°	179.7°
C2	C7	C6	H6	179.8°	179.8°
C2	O1	C1	H1	180.0°	60.0°
C2	O1	C1	H2	60.0°	60.0°
C2	O1	C1	H3	60.0°	180.0°
O1	C2	C3	H4	0.0°	0.0°
O1	C2	C7	H7	1.0°	0.2°
O1	C1	H1	H2	120.0°	120.1°
O1	C1	H1	H3	120.0°	119.9°
O1	C1	H2	H3	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C3	C4	H5	1.7°	0.1°
H6	C6	C7	H7	0.2°	0.2°

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