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Summary Geometry Related PDB entries

LW1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.21Å	1.19Å
C2	C3	sing	1.41Å	1.52Å
C3	C4	doub	1.37Å	1.39Å	Aromatic
C3	S7	sing	1.76Å	1.70Å	Aromatic
C4	C5	sing	1.37Å	1.44Å	Aromatic
S7	C6	sing	1.71Å	1.69Å	Aromatic
C5	C6	doub	1.34Å	1.38Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C3	124.8°	120.0°
O1	C2	H1	117.6°	120.0°
C2	C3	C4	129.8°	125.5°
C2	C3	S7	119.8°	125.5°
C3	C2	H1	117.6°	120.0°
C4	C3	S7	110.4°	109.0°
C3	C4	C5	113.4°	113.3°
C3	C4	H2	123.3°	123.4°
C3	S7	C6	93.3°	91.5°
C4	C5	C6	109.7°	115.1°
C5	C4	H2	123.3°	123.3°
C4	C5	H3	125.1°	122.5°
S7	C6	C5	113.2°	111.0°
S7	C6	H4	123.4°	124.5°
C6	C5	H3	125.1°	122.4°
C5	C6	H4	123.4°	124.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	H1	180.0°	179.8°
O1	C2	C3	C4	149.1°	0.3°
O1	C2	C3	S7	31.5°	180.0°
C2	C3	C4	S7	179.5°	179.7°
C2	C3	C4	C5	179.5°	180.0°
C2	C3	S7	C6	179.8°	180.0°
C2	C3	C4	H2	0.5°	0.1°
C3	C4	C5	H2	180.0°	179.9°
C4	C3	S7	C6	0.2°	0.3°
C3	C4	C5	C6	0.3°	0.0°
C4	C3	C2	H1	30.9°	180.0°
C3	C4	C5	H3	179.7°	179.9°
S7	C3	C4	C5	0.0°	0.2°
C3	S7	C6	C5	0.4°	0.3°
S7	C3	C2	H1	148.5°	0.3°
S7	C3	C4	H2	180.0°	179.8°
C3	S7	C6	H4	179.6°	179.9°
C4	C5	C6	S7	0.5°	0.2°
C4	C5	C6	H3	180.0°	179.9°
C4	C5	C6	H4	179.6°	180.0°
S7	C6	C5	H4	180.0°	179.8°
S7	C6	C5	H3	179.5°	179.8°
C6	C5	C4	H2	179.7°	179.9°
H2	C4	C5	H3	0.3°	0.0°
H3	C5	C6	H4	0.4°	0.0°

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PDB entries from 2026-01-21

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