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Summary Geometry Related PDB entries

G12

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR2	C9	sing	1.89Å	1.89Å
C9	C10	doub	1.36Å	1.47Å
C9	C8	sing	1.41Å	1.49Å
C8	O7	sing	1.34Å	1.36Å
C8	O15	doub	1.22Å	1.25Å
O7	C6	sing	1.35Å	1.37Å
C10	C5	sing	1.46Å	1.47Å
C10	C13	sing	1.51Å	1.50Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H133	sing	1.09Å	1.10Å
C5	C1	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.39Å	Aromatic
C6	C4	doub	1.39Å	1.38Å	Aromatic
C4	C3	sing	1.39Å	1.38Å	Aromatic
C4	BR1	sing	1.89Å	1.89Å
C1	C2	sing	1.37Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	O11	sing	1.36Å	1.34Å
O11	HO11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR2	C9	C10	118.2°	120.1°
BR2	C9	C8	122.9°	120.1°
C10	C9	C8	118.9°	119.8°
C9	C10	C5	117.4°	118.2°
C9	C10	C13	120.8°	120.9°
C9	C8	O7	119.1°	121.7°
C9	C8	O15	122.2°	119.2°
O7	C8	O15	118.8°	119.1°
C8	O7	C6	122.4°	121.4°
O7	C6	C5	123.3°	119.9°
O7	C6	C4	117.2°	120.7°
C5	C10	C13	121.8°	120.9°
C10	C5	C1	120.4°	121.0°
C10	C5	C6	119.0°	119.0°
C10	C13	H131	109.5°	109.5°
C10	C13	H132	109.5°	109.5°
C10	C13	H133	109.5°	109.5°
H131	C13	H132	109.5°	109.5°
H131	C13	H133	109.5°	109.5°
H132	C13	H133	109.5°	109.4°
C1	C5	C6	120.7°	120.0°
C5	C1	C2	119.5°	119.8°
C5	C1	H1	120.3°	120.1°
C5	C6	C4	119.5°	119.4°
C6	C4	C3	120.0°	119.8°
C6	C4	BR1	118.7°	120.1°
C3	C4	BR1	121.3°	120.1°
C4	C3	C2	120.7°	120.6°
C4	C3	O11	119.3°	119.7°
C2	C1	H1	120.2°	120.1°
C1	C2	C3	119.7°	120.4°
C1	C2	H2	120.2°	119.8°
C3	C2	H2	120.2°	119.8°
C2	C3	O11	120.0°	119.7°
C3	O11	HO11	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR2	C9	C10	C8	178.7°	179.7°
BR2	C9	C8	O7	178.6°	179.9°
BR2	C9	C8	O15	1.3°	0.0°
BR2	C9	C10	C5	179.0°	180.0°
BR2	C9	C10	C13	0.8°	0.0°
C10	C9	C8	O7	0.0°	0.2°
C10	C9	C8	O15	179.9°	179.7°
C9	C10	C5	C13	179.8°	180.0°
C9	C10	C13	H131	19.3°	0.0°
C9	C10	C13	H132	139.3°	120.1°
C9	C10	C13	H133	100.7°	120.0°
C9	C10	C5	C1	179.9°	180.0°
C9	C10	C5	C6	0.3°	0.0°
C9	C8	O7	O15	179.9°	179.9°
C9	C8	O7	C6	0.3°	0.1°
C8	C9	C10	C5	0.3°	0.2°
C8	C9	C10	C13	179.5°	179.8°
C8	O7	C6	C5	0.4°	0.2°
C8	O7	C6	C4	179.7°	180.0°
O15	C8	O7	C6	179.7°	180.0°
O7	C6	C5	C10	0.0°	0.2°
O7	C6	C5	C1	179.5°	179.8°
O7	C6	C5	C4	179.3°	179.8°
O7	C6	C4	C3	179.5°	179.9°
O7	C6	C4	BR1	0.2°	0.0°
C5	C10	C13	H131	160.9°	180.0°
C5	C10	C13	H132	40.9°	59.9°
C5	C10	C13	H133	79.1°	60.0°
C10	C5	C1	C6	179.6°	180.0°
C10	C5	C6	C4	179.4°	180.0°
C10	C5	C1	C2	179.3°	180.0°
C10	C5	C1	H1	0.7°	0.0°
C10	C13	H131	H132	120.0°	120.0°
C10	C13	H131	H133	120.0°	120.0°
C10	C13	H132	H133	120.0°	120.0°
C13	C10	C5	C1	0.1°	0.0°
C13	C10	C5	C6	179.5°	180.0°
H131	C13	H132	H133	120.0°	120.0°
C1	C5	C6	C4	0.2°	0.0°
C5	C1	C2	H1	180.0°	180.0°
C5	C1	C2	C3	0.3°	0.1°
C5	C1	C2	H2	179.7°	180.0°
C5	C6	C4	C3	0.1°	0.2°
C5	C6	C4	BR1	179.5°	179.7°
C6	C5	C1	C2	0.3°	0.1°
C6	C5	C1	H1	179.7°	179.9°
C6	C4	C3	BR1	179.7°	179.9°
C6	C4	C3	C2	0.2°	0.3°
C6	C4	C3	O11	179.9°	180.0°
C4	C3	C2	C1	0.3°	0.3°
C4	C3	C2	O11	179.7°	179.7°
C4	C3	C2	H2	179.8°	179.8°
C4	C3	O11	HO11	129.5°	90.0°
BR1	C4	C3	C2	179.5°	179.6°
BR1	C4	C3	O11	0.2°	0.1°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	O11	180.0°	180.0°
H1	C1	C2	C3	179.7°	179.9°
H1	C1	C2	H2	0.3°	0.0°
C2	C3	O11	HO11	50.2°	89.7°
H2	C2	C3	O11	0.0°	0.1°

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