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Summary Geometry Related PDB entries

0RW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	doub	1.36Å	1.40Å	Aromatic
C6	C1	sing	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.41Å	1.37Å	Aromatic
C1	C2	doub	1.36Å	1.41Å	Aromatic
C4	N13	doub	1.32Å	1.38Å	Aromatic
C4	C3	sing	1.47Å	1.44Å	Aromatic
N13	N12	sing	1.40Å	1.34Å	Aromatic
C2	C3	sing	1.41Å	1.38Å	Aromatic
C3	C11	doub	1.38Å	1.46Å	Aromatic
N12	C11	sing	1.34Å	1.34Å	Aromatic
C11	C14	sing	1.51Å	1.51Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
N12	H5	sing	0.97Å	1.00Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C6	C1	120.1°	121.8°
C6	C5	C4	119.6°	119.6°
C6	C5	H3	120.2°	120.3°
C5	C6	H4	120.0°	119.1°
C6	C1	C2	120.3°	121.7°
C6	C1	H1	119.8°	119.2°
C1	C6	H4	119.9°	119.0°
C5	C4	N13	135.5°	134.6°
C5	C4	C3	121.0°	118.6°
C4	C5	H3	120.2°	120.2°
C1	C2	C3	120.0°	119.6°
C2	C1	H1	119.9°	119.1°
C1	C2	H2	120.0°	120.2°
N13	C4	C3	103.4°	106.8°
C4	N13	N12	112.3°	108.9°
C4	C3	C2	119.0°	118.7°
C4	C3	C11	107.7°	106.4°
N13	N12	C11	110.7°	110.0°
N13	N12	H5	124.6°	125.0°
C2	C3	C11	133.3°	134.8°
C3	C2	H2	120.0°	120.2°
C3	C11	N12	105.8°	107.9°
C3	C11	C14	129.7°	126.1°
N12	C11	C14	124.5°	126.0°
C11	N12	H5	124.7°	125.0°
C11	C14	H6	109.5°	109.4°
C11	C14	H7	109.5°	109.5°
C11	C14	H8	109.5°	109.5°
H6	C14	H7	109.4°	109.4°
H6	C14	H8	109.5°	109.4°
H7	C14	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C6	C1	H4	180.0°	179.4°
C6	C5	C4	H3	180.0°	179.7°
C5	C6	C1	C2	0.2°	0.6°
C6	C5	C4	N13	179.9°	179.7°
C6	C5	C4	C3	0.1°	0.3°
C5	C6	C1	H1	179.8°	179.7°
C1	C6	C5	C4	0.2°	0.6°
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	C3	0.2°	0.2°
C6	C1	C2	H2	179.8°	179.8°
C1	C6	C5	H3	179.8°	179.7°
C5	C4	N13	C3	179.8°	180.0°
C5	C4	N13	N12	179.8°	180.0°
C5	C4	C3	C2	0.0°	0.0°
C5	C4	C3	C11	179.7°	180.0°
C4	C5	C6	H4	179.8°	180.0°
C1	C2	C3	C4	0.1°	0.1°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C11	179.6°	180.0°
C2	C1	C6	H4	179.8°	180.0°
N13	C4	C3	C2	179.9°	180.0°
N13	C4	C3	C11	0.4°	0.0°
C4	N13	N12	C11	0.1°	0.0°
N13	C4	C5	H3	0.1°	0.0°
C4	N13	N12	H5	179.8°	179.9°
C3	C4	N13	N12	0.3°	0.0°
C4	C3	C2	C11	179.6°	180.0°
C4	C3	C11	N12	0.4°	0.0°
C4	C3	C11	C14	179.7°	179.9°
C4	C3	C2	H2	179.9°	180.0°
C3	C4	C5	H3	179.9°	180.0°
N13	N12	C11	C3	0.2°	0.0°
N13	N12	C11	H5	180.0°	180.0°
N13	N12	C11	C14	179.9°	179.9°
C2	C3	C11	N12	180.0°	180.0°
C2	C3	C11	C14	0.1°	0.1°
C3	C2	C1	H1	179.8°	180.0°
C3	C11	N12	C14	179.9°	179.9°
C11	C3	C2	H2	0.3°	0.0°
C3	C11	N12	H5	179.9°	180.0°
C3	C11	C14	H6	90.0°	90.0°
C3	C11	C14	H7	150.0°	150.0°
C3	C11	C14	H8	30.0°	29.9°
N12	C11	C14	H6	90.0°	90.1°
N12	C11	C14	H7	29.9°	29.9°
N12	C11	C14	H8	150.0°	150.0°
C14	C11	N12	H5	0.1°	0.0°
C11	C14	H6	H7	120.0°	120.0°
C11	C14	H6	H8	120.0°	120.0°
C11	C14	H7	H8	120.0°	120.1°
H1	C1	C2	H2	0.2°	0.0°
H1	C1	C6	H4	0.2°	0.3°
H3	C5	C6	H4	0.2°	0.3°
H6	C14	H7	H8	120.0°	119.9°

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