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

X0S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.42Å	1.43Å
C2	C3	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.38Å	1.37Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C1	C6	doub	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C6	CL1	sing	1.74Å	1.73Å
C5	S1	sing	1.76Å	1.77Å
S1	N1	sing	1.66Å	1.62Å
S1	O1	doub	1.42Å	1.43Å
N1	C7	sing	1.47Å	1.46Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
N1	H5	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	C5	108.1°	106.4°
O2	S1	N1	106.6°	106.4°
O2	S1	O1	119.0°	123.2°
C3	C2	C1	120.2°	120.0°
C2	C3	C4	120.3°	120.0°
C2	C3	H3	119.9°	120.0°
C3	C2	H2	119.9°	120.0°
C2	C1	C6	119.8°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C2	H2	119.9°	120.0°
C3	C4	C5	120.3°	120.0°
C3	C4	H4	119.9°	120.0°
C4	C3	H3	119.9°	119.9°
C1	C6	C5	120.7°	120.0°
C1	C6	CL1	118.1°	120.0°
C6	C1	H1	120.1°	120.0°
C4	C5	C6	118.7°	120.0°
C4	C5	S1	118.3°	120.1°
C5	C4	H4	119.9°	120.0°
C5	C6	CL1	121.2°	120.0°
C6	C5	S1	122.9°	120.0°
C5	S1	N1	108.1°	107.2°
C5	S1	O1	107.8°	106.4°
N1	S1	O1	106.8°	106.4°
S1	N1	C7	119.1°	120.0°
S1	N1	H5	107.0°	120.0°
N1	C7	H7	109.5°	109.4°
N1	C7	H8	109.5°	109.4°
N1	C7	H6	109.5°	109.5°
C7	N1	H5	107.0°	120.0°
H7	C7	H8	109.5°	109.5°
H7	C7	H6	109.5°	109.5°
H8	C7	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	C5	C4	91.8°	130.6°
O2	S1	C5	C6	87.4°	49.4°
O2	S1	C5	N1	115.0°	113.6°
O2	S1	C5	O1	129.9°	132.9°
O2	S1	N1	O1	128.2°	132.9°
O2	S1	N1	C7	176.8°	178.2°
O2	S1	N1	H5	61.9°	1.8°
C3	C2	C1	H2	180.0°	179.6°
C2	C3	C4	H3	180.0°	180.0°
C3	C2	C1	C6	0.2°	0.7°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C4	H4	179.5°	179.7°
C3	C2	C1	H1	179.8°	179.7°
C1	C2	C3	C4	0.0°	0.5°
C2	C1	C6	H1	180.0°	179.6°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C6	CL1	179.9°	179.5°
C1	C2	C3	H3	180.0°	179.6°
C3	C4	C5	H4	180.0°	179.7°
C3	C4	C5	C6	0.7°	0.2°
C3	C4	C5	S1	180.0°	179.8°
C4	C3	C2	H2	179.9°	180.0°
C1	C6	C5	C4	0.5°	0.0°
C1	C6	C5	CL1	179.8°	180.0°
C1	C6	C5	S1	179.8°	180.0°
C6	C1	C2	H2	179.9°	179.7°
C4	C5	C6	S1	179.3°	180.0°
C4	C5	C6	CL1	179.7°	180.0°
C4	C5	S1	N1	23.1°	115.8°
C4	C5	S1	O1	138.3°	2.3°
C5	C4	C3	H3	179.5°	180.0°
C6	C5	S1	N1	157.6°	64.2°
C6	C5	S1	O1	42.4°	177.7°
C6	C5	C4	H4	179.3°	180.0°
C5	C6	C1	H1	180.0°	180.0°
CL1	C6	C5	S1	0.4°	0.0°
CL1	C6	C1	H1	0.1°	0.0°
C5	S1	N1	O1	115.8°	113.5°
C5	S1	N1	C7	60.8°	64.7°
S1	C5	C4	H4	0.0°	0.0°
C5	S1	N1	H5	177.8°	115.4°
S1	N1	C7	H5	121.4°	180.0°
S1	N1	C7	H7	180.0°	177.7°
S1	N1	C7	H8	60.0°	57.8°
S1	N1	C7	H6	60.0°	62.3°
O1	S1	N1	C7	55.0°	48.8°
O1	S1	N1	H5	66.4°	131.1°
N1	C7	H7	H8	120.0°	119.9°
N1	C7	H7	H6	120.0°	120.0°
N1	C7	H8	H6	120.0°	120.0°
H4	C4	C3	H3	0.5°	0.2°
H7	C7	H8	H6	119.9°	120.1°
H7	C7	N1	H5	58.6°	2.3°
H8	C7	N1	H5	178.7°	122.3°
H6	C7	N1	H5	61.4°	117.7°
H3	C3	C2	H2	0.1°	0.0°
H1	C1	C2	H2	0.2°	0.2°

224931

PDB entries from 2024-09-11

PDB statistics

PDBj update info

Contact PDBj

numon