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Summary Geometry Related PDB entries

6EI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C6	sing	1.51Å	1.51Å
C6	C9	doub	1.38Å	1.39Å	Aromatic
C6	C8	sing	1.38Å	1.39Å	Aromatic
C9	C11	sing	1.38Å	1.38Å	Aromatic
C8	C10	doub	1.38Å	1.38Å	Aromatic
C11	C7	doub	1.39Å	1.38Å	Aromatic
C10	C7	sing	1.39Å	1.38Å	Aromatic
C7	O2	sing	1.36Å	1.42Å
O2	S1	sing	1.52Å	1.62Å
O5	S1	doub	1.42Å	1.43Å
O3	S1	doub	1.42Å	1.43Å
S1	O4	sing	1.52Å	1.44Å
C8	HC8	sing	1.08Å	1.08Å
C9	HC9	sing	1.08Å	1.08Å
C10	HC10	sing	1.08Å	1.08Å
C11	HC11	sing	1.08Å	1.08Å
C12	H12C	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
O4	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C6	C9	120.9°	120.0°
C12	C6	C8	121.0°	119.9°
C6	C12	H12C	109.5°	109.5°
C6	C12	H12B	109.5°	109.5°
C6	C12	H12A	109.5°	109.4°
C9	C6	C8	118.0°	120.1°
C6	C9	C11	121.3°	120.1°
C6	C9	HC9	119.4°	120.0°
C6	C8	C10	121.3°	120.0°
C6	C8	HC8	119.4°	120.0°
C9	C11	C7	119.7°	119.9°
C11	C9	HC9	119.4°	119.9°
C9	C11	HC11	120.1°	120.0°
C8	C10	C7	119.4°	119.9°
C10	C8	HC8	119.3°	120.0°
C8	C10	HC10	120.3°	120.1°
C11	C7	C10	120.2°	119.9°
C11	C7	O2	119.6°	120.0°
C7	C11	HC11	120.2°	120.0°
C10	C7	O2	120.2°	120.1°
C7	C10	HC10	120.3°	120.0°
C7	O2	S1	116.9°	114.1°
O2	S1	O5	103.1°	106.4°
O2	S1	O3	110.3°	106.4°
O2	S1	O4	102.4°	107.2°
O5	S1	O3	114.4°	123.2°
O5	S1	O4	113.6°	106.4°
O3	S1	O4	112.0°	106.4°
S1	O4	H1	109.5°	114.0°
H12C	C12	H12B	109.5°	109.4°
H12C	C12	H12A	109.5°	109.5°
H12B	C12	H12A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C6	C9	C8	176.7°	179.8°
C12	C6	C9	C11	174.3°	179.7°
C12	C6	C8	C10	174.8°	179.8°
C12	C6	C8	HC8	5.2°	0.3°
C12	C6	C9	HC9	5.7°	0.3°
C6	C12	H12C	H12B	120.0°	120.0°
C6	C12	H12C	H12A	120.0°	120.0°
C6	C12	H12B	H12A	120.0°	120.0°
C6	C9	C11	HC9	180.0°	180.0°
C9	C6	C8	C10	1.9°	0.0°
C6	C9	C11	C7	0.7°	0.1°
C9	C6	C8	HC8	178.1°	179.9°
C6	C9	C11	HC11	179.3°	180.0°
C9	C6	C12	H12C	88.3°	90.0°
C9	C6	C12	H12B	151.7°	150.0°
C9	C6	C12	H12A	31.7°	29.9°
C8	C6	C9	C11	2.4°	0.1°
C6	C8	C10	HC8	180.0°	179.9°
C6	C8	C10	C7	0.2°	0.0°
C8	C6	C9	HC9	177.6°	180.0°
C6	C8	C10	HC10	179.8°	179.9°
C8	C6	C12	H12C	88.3°	89.7°
C8	C6	C12	H12B	31.7°	30.2°
C8	C6	C12	H12A	151.7°	150.3°
C9	C11	C7	HC11	180.0°	179.9°
C9	C11	C7	C10	1.4°	0.1°
C9	C11	C7	O2	179.9°	180.0°
C8	C10	C7	C11	1.9°	0.0°
C8	C10	C7	HC10	180.0°	179.9°
C8	C10	C7	O2	179.5°	179.9°
C11	C7	C10	O2	178.6°	179.9°
C11	C7	O2	S1	82.4°	89.9°
C7	C11	C9	HC9	179.2°	179.9°
C11	C7	C10	HC10	178.1°	179.9°
C10	C7	O2	S1	96.2°	90.0°
C7	C10	C8	HC8	179.8°	180.0°
C10	C7	C11	HC11	178.5°	180.0°
C7	O2	S1	O5	80.2°	171.5°
C7	O2	S1	O3	42.3°	38.5°
C7	O2	S1	O4	161.7°	75.0°
O2	C7	C10	HC10	0.5°	0.0°
O2	C7	C11	HC11	0.1°	0.1°
O2	S1	O5	O3	119.8°	123.0°
O2	S1	O5	O4	110.0°	114.1°
O2	S1	O3	O4	113.3°	114.1°
O2	S1	O4	H1	118.1°	180.0°
O5	S1	O3	O4	131.0°	122.9°
O5	S1	O4	H1	131.4°	66.5°
O3	S1	O4	H1	0.0°	66.5°
HC8	C8	C10	HC10	0.2°	0.1°
HC9	C9	C11	HC11	0.8°	0.0°
H12C	C12	H12B	H12A	120.0°	120.0°

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