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Summary Geometry Related PDB entries

BRV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C3	sing	1.48Å	1.50Å
C10	O11	doub	1.21Å	1.25Å
C10	O12	sing	1.35Å	1.25Å
C7	C1	sing	1.48Å	1.51Å
C7	O8	sing	1.35Å	1.25Å
C7	O9	doub	1.22Å	1.25Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	N13	sing	1.40Å	1.36Å
C5	C6	sing	1.39Å	1.41Å	Aromatic
C4	C3	sing	1.40Å	1.38Å	Aromatic
C4	BR2	sing	1.89Å	1.90Å
C3	C2	doub	1.39Å	1.39Å	Aromatic
C2	BR1	sing	1.89Å	1.90Å
C2	C1	sing	1.40Å	1.39Å	Aromatic
BR3	C6	sing	1.89Å	1.90Å
C1	C6	doub	1.40Å	1.39Å	Aromatic
N13	HN13	sing	0.97Å	1.00Å
N13	HN1A	sing	0.97Å	1.00Å
O8	HO8	sing	0.97Å	0.95Å
O12	HO12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C10	O11	120.7°	120.0°
C3	C10	O12	114.7°	120.0°
C10	C3	C4	121.9°	120.0°
C10	C3	C2	119.6°	120.1°
O11	C10	O12	124.6°	120.0°
C10	O12	HO12	109.5°	117.1°
C1	C7	O8	111.9°	120.0°
C1	C7	O9	122.0°	120.0°
C7	C1	C2	120.7°	120.0°
C7	C1	C6	120.0°	120.1°
O8	C7	O9	126.1°	120.0°
C7	O8	HO8	109.5°	117.0°
C4	C5	N13	122.8°	119.9°
C4	C5	C6	114.9°	120.1°
C5	C4	C3	124.2°	120.1°
C5	C4	BR2	117.8°	119.9°
N13	C5	C6	122.3°	120.0°
C5	N13	HN13	109.5°	120.0°
C5	N13	HN1A	109.4°	120.0°
C5	C6	BR3	117.5°	119.9°
C5	C6	C1	122.9°	120.1°
C3	C4	BR2	117.9°	119.9°
C4	C3	C2	118.5°	119.9°
C3	C2	BR1	118.6°	120.1°
C3	C2	C1	120.2°	119.8°
BR1	C2	C1	121.1°	120.1°
C2	C1	C6	119.3°	119.9°
BR3	C6	C1	119.7°	120.0°
HN13	N13	HN1A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C10	O11	O12	179.9°	179.6°
C10	C3	C4	C5	178.2°	179.9°
C10	C3	C4	C2	179.0°	179.9°
C10	C3	C4	BR2	2.0°	0.0°
C10	C3	C2	BR1	3.0°	0.0°
C10	C3	C2	C1	177.7°	179.9°
C3	C10	O12	HO12	179.9°	180.0°
O11	C10	C3	C4	117.6°	90.0°
O11	C10	C3	C2	63.4°	90.0°
O11	C10	O12	HO12	0.0°	0.3°
O12	C10	C3	C4	62.5°	90.3°
O12	C10	C3	C2	116.5°	89.6°
C1	C7	O8	O9	179.7°	179.9°
C7	C1	C6	C5	179.0°	179.8°
C7	C1	C2	C3	179.8°	180.0°
C7	C1	C2	BR1	0.9°	0.0°
C7	C1	C2	C6	179.6°	179.8°
C7	C1	C6	BR3	1.3°	0.3°
C1	C7	O8	HO8	179.7°	180.0°
O8	C7	C1	C2	114.9°	90.1°
O8	C7	C1	C6	64.8°	89.7°
O9	C7	C1	C2	64.8°	90.0°
O9	C7	C1	C6	115.5°	90.2°
O9	C7	O8	HO8	0.0°	0.1°
C4	C5	N13	C6	179.3°	179.8°
C5	C4	C3	BR2	179.9°	180.0°
C5	C4	C3	C2	0.8°	0.0°
C4	C5	C6	BR3	178.6°	180.0°
C4	C5	C6	C1	1.1°	0.5°
C4	C5	N13	HN13	86.8°	0.0°
C4	C5	N13	HN1A	33.2°	179.9°
N13	C5	C4	C3	179.0°	180.0°
N13	C5	C4	BR2	0.9°	0.0°
N13	C5	C6	BR3	2.1°	0.3°
N13	C5	C6	C1	178.3°	179.8°
C5	N13	HN13	HN1A	120.0°	179.9°
C6	C5	C4	C3	0.3°	0.2°
C6	C5	C4	BR2	179.8°	179.8°
C5	C6	C1	C2	0.6°	0.5°
C5	C6	BR3	C1	179.7°	179.5°
C6	C5	N13	HN13	92.4°	179.8°
C6	C5	N13	HN1A	147.5°	0.3°
C4	C3	C2	BR1	178.0°	180.0°
C4	C3	C2	C1	1.3°	0.0°
BR2	C4	C3	C2	179.0°	180.0°
C3	C2	BR1	C1	179.3°	180.0°
C3	C2	C1	C6	0.6°	0.2°
BR1	C2	C1	C6	178.7°	179.8°
C2	C1	C6	BR3	179.0°	180.0°

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