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Summary Geometry Related PDB entries

HVP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	S2	doub	1.42Å	1.44Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
O2	S1	doub	1.42Å	1.44Å
C3	C2	doub	1.38Å	1.40Å	Aromatic
C6	C1	doub	1.38Å	1.40Å	Aromatic
C2	C1	sing	1.38Å	1.40Å	Aromatic
C2	S2	sing	1.76Å	1.60Å
C1	S1	sing	1.76Å	1.61Å
S2	O4	doub	1.42Å	1.44Å
S1	F1	sing	1.61Å	1.55Å
S1	O1	doub	1.42Å	1.44Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
S2	O5	sing	1.52Å	1.57Å
O5	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	S2	C2	107.0°	106.4°
O3	S2	O4	107.1°	123.2°
O3	S2	O5	101.4°	106.4°
C5	C4	C3	119.9°	120.0°
C4	C5	C6	119.6°	120.0°
C5	C4	H1	120.0°	120.0°
C4	C5	H2	120.2°	120.0°
C4	C3	C2	120.6°	120.0°
C3	C4	H1	120.1°	120.0°
C4	C3	H5	119.7°	120.0°
C5	C6	C1	121.2°	120.0°
C6	C5	H2	120.2°	120.0°
C5	C6	H6	119.4°	120.0°
O2	S1	C1	108.2°	106.4°
O2	S1	F1	109.4°	106.4°
O2	S1	O1	109.6°	123.1°
C3	C2	C1	119.9°	120.0°
C3	C2	S2	115.7°	120.0°
C2	C3	H5	119.7°	120.0°
C6	C1	C2	118.8°	120.0°
C6	C1	S1	115.9°	120.0°
C1	C6	H6	119.4°	120.0°
C1	C2	S2	124.4°	120.0°
C2	C1	S1	125.4°	120.0°
C2	S2	O4	106.2°	106.4°
C2	S2	O5	143.3°	107.2°
C1	S1	F1	107.7°	107.2°
C1	S1	O1	114.3°	106.4°
O4	S2	O5	86.6°	106.4°
F1	S1	O1	107.6°	106.4°
S2	O5	H3	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	S2	C2	C3	80.5°	105.1°
O3	S2	C2	C1	99.4°	74.8°
O3	S2	C2	O4	114.2°	132.9°
O3	S2	C2	O5	139.2°	113.6°
O3	S2	O4	O5	100.9°	123.0°
O3	S2	O5	H3	106.8°	66.4°
C5	C4	C3	H1	180.0°	179.8°
C4	C5	C6	H2	180.0°	179.7°
C5	C4	C3	C2	0.5°	0.3°
C4	C5	C6	C1	0.5°	0.0°
C5	C4	C3	H5	179.5°	179.8°
C4	C5	C6	H6	179.5°	179.9°
C3	C4	C5	C6	0.1°	0.2°
C4	C3	C2	H5	180.0°	180.0°
C4	C3	C2	C1	0.2°	0.0°
C4	C3	C2	S2	179.8°	180.0°
C3	C4	C5	H2	179.9°	180.0°
C5	C6	C1	H6	180.0°	179.9°
C5	C6	C1	C2	0.7°	0.3°
C5	C6	C1	S1	179.8°	180.0°
C6	C5	C4	H1	179.9°	180.0°
O2	S1	C1	C6	93.3°	149.3°
O2	S1	C1	C2	85.8°	30.4°
O2	S1	C1	F1	118.1°	113.5°
O2	S1	C1	O1	122.4°	132.9°
O2	S1	F1	O1	119.0°	132.9°
C3	C2	C1	C6	0.3°	0.2°
C3	C2	C1	S2	179.9°	179.9°
C3	C2	C1	S1	179.4°	180.0°
C3	C2	S2	O4	33.7°	122.0°
C2	C3	C4	H1	179.6°	179.9°
C3	C2	S2	O5	140.3°	8.5°
C6	C1	C2	S1	179.1°	179.7°
C6	C1	C2	S2	179.6°	179.7°
C6	C1	S1	F1	24.9°	97.2°
C6	C1	S1	O1	144.3°	16.4°
C1	C6	C5	H2	179.5°	179.7°
C1	C2	S2	O4	146.4°	58.1°
C2	C1	S1	F1	156.0°	83.1°
C2	C1	S1	O1	36.6°	163.3°
C1	C2	C3	H5	179.7°	180.0°
C2	C1	C6	H6	179.3°	179.8°
C1	C2	S2	O5	39.7°	171.6°
S2	C2	C1	S1	0.5°	0.0°
C2	S2	O4	O5	145.0°	114.1°
S2	C2	C3	H5	0.2°	0.1°
C2	S2	O5	H3	112.8°	180.0°
C1	S1	F1	O1	123.7°	113.6°
S1	C1	C6	H6	0.2°	0.1°
O4	S2	O5	H3	0.0°	66.5°
H1	C4	C5	H2	0.1°	0.2°
H1	C4	C3	H5	0.5°	0.0°
H2	C5	C6	H6	0.5°	0.2°

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