English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

BEK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O	doub	1.22Å	1.35Å
C1	N	sing	1.35Å	1.37Å
C1	C2	sing	1.47Å	1.40Å
N	HN1	sing	0.97Å	1.02Å
N	HN2	sing	0.97Å	1.02Å
C2	C3	doub	1.40Å	1.45Å	Aromatic
C2	C7	sing	1.40Å	1.50Å	Aromatic
C3	F3	sing	1.35Å	1.19Å
C3	C4	sing	1.38Å	1.42Å	Aromatic
C7	F7	sing	1.35Å	1.19Å
C7	C6	doub	1.38Å	1.44Å	Aromatic
C4	C5	doub	1.39Å	1.47Å	Aromatic
C4	F4	sing	1.35Å	1.10Å
C6	C5	sing	1.39Å	1.49Å	Aromatic
C6	F6	sing	1.35Å	1.11Å
C5	O5	sing	1.36Å	1.16Å
O5	C8	sing	1.43Å	1.41Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C1	N	114.2°	120.0°
O	C1	C2	131.4°	120.0°
N	C1	C2	114.4°	120.0°
C1	N	HN1	114.4°	120.0°
C1	N	HN2	114.2°	120.0°
C1	C2	C3	115.1°	120.1°
C1	C2	C7	124.1°	120.1°
HN1	N	HN2	131.3°	120.0°
C3	C2	C7	120.8°	119.7°
C2	C3	F3	120.6°	120.1°
C2	C3	C4	119.5°	119.9°
C2	C7	F7	122.4°	120.1°
C2	C7	C6	118.9°	119.9°
F3	C3	C4	119.9°	120.1°
C3	C4	C5	122.0°	120.1°
C3	C4	F4	117.5°	119.9°
F7	C7	C6	118.7°	120.1°
C7	C6	C5	120.1°	120.2°
C7	C6	F6	118.7°	119.9°
C5	C4	F4	120.5°	119.9°
C4	C5	C6	118.7°	120.2°
C4	C5	O5	115.0°	119.9°
C5	C6	F6	121.2°	119.9°
C6	C5	O5	126.3°	119.9°
C5	O5	C8	130.0°	106.8°
O5	C8	H81	130.0°	109.5°
O5	C8	H82	105.0°	109.4°
O5	C8	H83	105.0°	109.5°
H81	C8	H82	105.1°	109.5°
H81	C8	H83	105.1°	109.5°
H82	C8	H83	104.1°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C1	N	C2	177.3°	180.0°
O	C1	N	HN1	2.8°	0.0°
O	C1	N	HN2	179.9°	179.9°
O	C1	C2	C3	48.3°	89.9°
O	C1	C2	C7	131.0°	90.0°
C1	N	HN1	HN2	176.5°	180.0°
N	C1	C2	C3	128.4°	90.0°
N	C1	C2	C7	52.3°	90.0°
C2	C1	N	HN1	179.9°	180.0°
C2	C1	N	HN2	2.8°	0.0°
C1	C2	C3	C7	179.3°	180.0°
C1	C2	C3	F3	0.3°	0.0°
C1	C2	C3	C4	179.5°	179.9°
C1	C2	C7	F7	0.7°	0.0°
C1	C2	C7	C6	179.1°	179.6°
C2	C3	F3	C4	179.8°	180.0°
C3	C2	C7	F7	179.9°	180.0°
C3	C2	C7	C6	0.1°	0.3°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C4	F4	179.9°	180.0°
C7	C2	C3	F3	179.6°	180.0°
C7	C2	C3	C4	0.2°	0.0°
C2	C7	F7	C6	179.8°	179.6°
C2	C7	C6	C5	0.1°	0.6°
C2	C7	C6	F6	179.8°	180.0°
F3	C3	C4	C5	179.3°	180.0°
F3	C3	C4	F4	0.2°	0.0°
C3	C4	C5	F4	179.4°	180.0°
C3	C4	C5	C6	0.5°	0.3°
C3	C4	C5	O5	179.4°	180.0°
F7	C7	C6	C5	179.9°	179.8°
F7	C7	C6	F6	0.3°	0.4°
C7	C6	C5	C4	0.2°	0.5°
C7	C6	C5	F6	179.7°	179.4°
C7	C6	C5	O5	179.7°	179.7°
C4	C5	C6	O5	179.9°	179.7°
C4	C5	C6	F6	179.5°	179.9°
C4	C5	O5	C8	179.2°	90.0°
F4	C4	C5	C6	179.9°	179.8°
F4	C4	C5	O5	0.0°	0.0°
C6	C5	O5	C8	0.7°	90.2°
F6	C6	C5	O5	0.6°	0.3°
C5	O5	C8	H81	180.0°	180.0°
C5	O5	C8	H82	54.7°	60.0°
C5	O5	C8	H83	54.7°	59.9°
O5	C8	H81	H82	125.3°	120.0°
O5	C8	H81	H83	125.2°	120.1°
O5	C8	H82	H83	110.1°	120.0°
H81	C8	H82	H83	110.3°	120.0°

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon