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Summary Geometry Related PDB entries

92G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C1	sing	1.36Å	1.36Å
O7	HO7	sing	0.97Å	0.95Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C1	sing	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C1	C2	doub	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	C8	sing	1.48Å	1.49Å	Aromatic
C12	C8	doub	1.34Å	1.41Å	Aromatic
C8	N9	sing	1.33Å	1.38Å	Aromatic
S11	C10	sing	1.76Å	1.77Å	Aromatic
N9	C10	doub	1.30Å	1.35Å	Aromatic
C10	N13	sing	1.39Å	1.36Å
C12	S11	sing	1.76Å	1.79Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
N13	HN13	sing	0.97Å	1.00Å
N13	HN1A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O7	HO7	109.5°	114.0°
O7	C1	C6	120.0°	119.9°
O7	C1	C2	120.0°	119.9°
C6	C5	C4	120.0°	119.9°
C6	C5	H5	120.0°	120.0°
C5	C6	C1	120.0°	120.0°
C5	C6	H6	120.0°	119.9°
C4	C5	H5	120.0°	120.1°
C5	C4	C3	120.0°	119.9°
C5	C4	C8	120.0°	120.1°
C1	C6	H6	120.0°	120.0°
C6	C1	C2	120.0°	120.2°
C1	C2	C3	120.0°	120.1°
C1	C2	H2	120.0°	120.0°
C2	C3	C4	120.0°	119.9°
C2	C3	H3	120.0°	120.1°
C3	C2	H2	120.0°	120.0°
C4	C3	H3	120.0°	120.0°
C3	C4	C8	120.0°	120.1°
C4	C8	C12	122.2°	122.3°
C4	C8	N9	122.2°	122.3°
C12	C8	N9	115.6°	115.3°
C8	C12	S11	108.4°	108.3°
C8	C12	H12	125.8°	125.8°
C8	N9	C10	113.2°	116.8°
S11	C10	N9	112.7°	109.5°
S11	C10	N13	123.7°	125.2°
C10	S11	C12	90.1°	90.1°
N9	C10	N13	123.6°	125.3°
C10	N13	HN13	109.5°	120.1°
C10	N13	HN1A	109.5°	120.0°
S11	C12	H12	125.8°	125.9°
HN13	N13	HN1A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C1	C6	C5	180.0°	180.0°
O7	C1	C6	C2	179.9°	180.0°
O7	C1	C6	H6	0.0°	0.0°
O7	C1	C2	C3	180.0°	180.0°
O7	C1	C2	H2	0.1°	0.0°
HO7	O7	C1	C6	7.4°	89.9°
HO7	O7	C1	C2	172.5°	90.1°
C6	C5	C4	H5	180.0°	179.7°
C5	C6	C1	H6	180.0°	180.0°
C5	C6	C1	C2	0.0°	0.0°
C6	C5	C4	C3	0.0°	0.1°
C6	C5	C4	C8	180.0°	179.7°
C4	C5	C6	C1	0.0°	0.0°
C4	C5	C6	H6	179.9°	179.9°
C5	C4	C3	C2	0.0°	0.1°
C5	C4	C3	C8	180.0°	179.6°
C5	C4	C3	H3	180.0°	180.0°
C5	C4	C8	C12	44.8°	179.7°
C5	C4	C8	N9	135.2°	0.1°
H5	C5	C6	C1	180.0°	179.7°
H5	C5	C6	H6	0.0°	0.3°
H5	C5	C4	C3	180.0°	179.6°
H5	C5	C4	C8	0.0°	0.1°
C6	C1	C2	C3	0.0°	0.0°
C6	C1	C2	H2	180.0°	180.0°
H6	C6	C1	C2	179.9°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C8	180.0°	179.7°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C8	C12	135.2°	0.1°
C3	C4	C8	N9	44.8°	179.7°
H3	C3	C2	H2	0.0°	0.0°
H3	C3	C4	C8	0.0°	0.4°
C4	C8	C12	N9	180.0°	179.8°
C4	C8	N9	C10	180.0°	179.8°
C4	C8	C12	S11	180.0°	180.0°
C4	C8	C12	H12	0.0°	0.0°
C8	C12	S11	C10	0.0°	0.0°
C12	C8	N9	C10	0.0°	0.4°
C8	C12	S11	H12	180.0°	179.9°
C8	N9	C10	S11	0.0°	0.4°
C8	N9	C10	N13	180.0°	179.8°
N9	C8	C12	S11	0.0°	0.2°
N9	C8	C12	H12	179.9°	179.8°
S11	C10	N9	N13	180.0°	179.8°
C10	S11	C12	H12	180.0°	179.9°
S11	C10	N13	HN13	134.1°	0.0°
S11	C10	N13	HN1A	105.8°	180.0°
N9	C10	S11	C12	0.0°	0.2°
N9	C10	N13	HN13	45.9°	179.8°
N9	C10	N13	HN1A	74.1°	0.3°
N13	C10	S11	C12	180.0°	180.0°
C10	N13	HN13	HN1A	120.0°	180.0°

220113

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