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Summary Geometry Related PDB entries

BRH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.34Å	0.82Å
O1	H1	sing	0.97Å	0.51Å
C1	O2	doub	1.21Å	0.82Å
C1	C2	sing	1.51Å	0.82Å
C2	N1	sing	1.47Å	0.83Å
C2	C3	sing	1.53Å	0.83Å
C2	H2	sing	1.09Å	0.58Å
N1	H3	sing	1.01Å	0.54Å
N1	H4	sing	1.01Å	0.54Å
C3	C4	sing	1.51Å	0.83Å
C3	H5	sing	1.09Å	0.58Å
C3	H6	sing	1.09Å	0.58Å
C4	C5	doub	1.35Å	0.83Å	Aromatic
C4	O4	sing	1.34Å	0.83Å	Aromatic
C5	BR1	sing	1.89Å	1.02Å
C5	C6	sing	1.42Å	0.82Å	Aromatic
C6	O3	sing	1.36Å	0.83Å
C6	N2	doub	1.31Å	0.83Å	Aromatic
O3	H7	sing	0.97Å	0.51Å
N2	O4	sing	1.21Å	0.83Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	H1	120.0°	120.0°
O1	C1	O2	120.0°	120.0°
O1	C1	C2	120.0°	120.0°
O2	C1	C2	120.1°	120.0°
C1	C2	N1	90.1°	109.4°
C1	C2	C3	179.9°	109.5°
C1	C2	H2	90.0°	109.5°
N1	C2	C3	90.0°	109.5°
N1	C2	H2	179.9°	109.5°
C2	N1	H3	119.9°	106.7°
C2	N1	H4	120.1°	106.7°
C3	C2	H2	89.9°	109.5°
C2	C3	C4	179.9°	109.5°
C2	C3	H5	90.0°	109.5°
C2	C3	H6	90.0°	109.4°
H3	N1	H4	120.0°	106.7°
C4	C3	H5	90.0°	109.5°
C4	C3	H6	89.9°	109.4°
C3	C4	C5	125.9°	126.7°
C3	C4	O4	126.0°	126.8°
H5	C3	H6	180.0°	109.5°
C5	C4	O4	108.1°	106.6°
C4	C5	BR1	126.0°	128.1°
C4	C5	C6	107.9°	104.0°
C4	O4	N2	107.9°	111.8°
BR1	C5	C6	126.0°	128.0°
C5	C6	O3	126.0°	126.9°
C5	C6	N2	108.1°	106.2°
O3	C6	N2	125.9°	126.9°
C6	O3	H7	120.0°	106.8°
C6	N2	O4	108.0°	111.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	180.0°	179.9°
O1	C1	C2	N1	0.0°	160.0°
O1	C1	C2	C3	180.0°	80.1°
O1	C1	C2	H2	180.0°	40.0°
H1	O1	C1	O2	0.0°	0.1°
H1	O1	C1	C2	180.0°	180.0°
O2	C1	C2	N1	180.0°	20.0°
O2	C1	C2	C3	0.0°	100.0°
O2	C1	C2	H2	0.0°	139.9°
C1	C2	N1	C3	180.0°	120.0°
C1	C2	N1	H2	180.0°	120.0°
C1	C2	C3	H2	0.0°	120.1°
C1	C2	N1	H3	0.0°	53.9°
C1	C2	N1	H4	180.0°	60.0°
C1	C2	C3	C4	180.0°	175.0°
C1	C2	C3	H5	0.0°	64.9°
C1	C2	C3	H6	180.0°	55.0°
N1	C2	C3	H2	180.0°	120.0°
C2	N1	H3	H4	180.0°	113.9°
N1	C2	C3	C4	0.0°	65.1°
N1	C2	C3	H5	180.0°	55.0°
N1	C2	C3	H6	0.0°	175.0°
C3	C2	N1	H3	180.0°	173.8°
C3	C2	N1	H4	0.0°	60.0°
C2	C3	C4	H5	180.0°	120.0°
C2	C3	C4	H6	0.0°	120.0°
C2	C3	H5	H6	180.0°	120.0°
C2	C3	C4	C5	180.0°	89.8°
C2	C3	C4	O4	0.0°	89.9°
H2	C2	N1	H3	180.0°	66.1°
H2	C2	N1	H4	0.0°	180.0°
H2	C2	C3	C4	180.0°	54.9°
H2	C2	C3	H5	0.0°	175.0°
H2	C2	C3	H6	180.0°	65.0°
C4	C3	H5	H6	0.0°	120.0°
C3	C4	C5	O4	180.0°	179.7°
C3	C4	C5	BR1	0.0°	0.3°
C3	C4	C5	C6	180.0°	179.9°
C3	C4	O4	N2	180.0°	180.0°
H5	C3	C4	C5	0.0°	30.3°
H5	C3	C4	O4	180.0°	150.1°
H6	C3	C4	C5	180.0°	150.3°
H6	C3	C4	O4	0.0°	30.1°
C4	C5	BR1	C6	180.0°	179.6°
C4	C5	C6	O3	180.0°	179.9°
C4	C5	C6	N2	0.0°	0.3°
C5	C4	O4	N2	0.0°	0.3°
O4	C4	C5	BR1	180.0°	180.0°
O4	C4	C5	C6	0.0°	0.4°
C4	O4	N2	C6	0.0°	0.1°
BR1	C5	C6	O3	0.0°	0.2°
BR1	C5	C6	N2	180.0°	180.0°
C5	C6	O3	N2	180.0°	179.8°
C5	C6	O3	H7	0.0°	89.8°
C5	C6	N2	O4	0.0°	0.1°
O3	C6	N2	O4	180.0°	179.9°
N2	C6	O3	H7	180.0°	90.0°

222415

PDB entries from 2024-07-10

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