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

M4S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C5	sing	1.38Å	1.39Å	Aromatic
N1	S1	sing	1.66Å	1.49Å
O1	C3	sing	1.36Å	1.37Å
O1	C6	sing	1.43Å	1.42Å
S1	O2	doub	1.42Å	1.49Å
S1	O3	doub	1.42Å	1.49Å
S1	C5	sing	1.76Å	1.61Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.40Å	Aromatic
C4	C7	sing	1.38Å	1.40Å	Aromatic
C5	C7	doub	1.38Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	119.8°	120.0°
C1	C2	C3	121.3°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C2	H2	119.4°	120.0°
C1	C5	S1	119.8°	119.9°
C1	C5	C7	119.3°	120.1°
C5	C1	H1	120.1°	120.0°
N1	S1	O2	109.3°	106.4°
N1	S1	O3	111.6°	106.4°
N1	S1	C5	106.3°	107.2°
S1	N1	HN1	109.5°	120.0°
S1	N1	HN1A	109.5°	120.0°
C3	O1	C6	120.8°	117.0°
O1	C3	C2	118.1°	120.0°
O1	C3	C4	122.0°	120.1°
O1	C6	H6	109.5°	109.5°
O1	C6	H6A	109.5°	109.4°
O1	C6	H6B	109.5°	109.5°
O2	S1	O3	107.4°	123.2°
O2	S1	C5	104.6°	106.4°
O3	S1	C5	117.3°	106.4°
S1	C5	C7	120.9°	120.0°
C2	C3	C4	119.9°	119.9°
C3	C2	H2	119.4°	120.1°
C3	C4	C7	118.9°	120.0°
C3	C4	H4	120.5°	120.0°
C4	C7	C5	120.9°	120.1°
C7	C4	H4	120.6°	120.0°
C4	C7	H7	119.6°	119.9°
C5	C7	H7	119.6°	120.0°
HN1	N1	HN1A	109.5°	120.0°
H6	C6	H6A	109.5°	109.5°
H6	C6	H6B	109.5°	109.5°
H6A	C6	H6B	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	H1	180.0°	179.8°
C1	C2	C3	O1	179.0°	180.0°
C2	C1	C5	S1	179.6°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	1.6°	0.0°
C2	C1	C5	C7	0.4°	0.0°
C1	C5	S1	N1	114.0°	90.0°
C1	C5	S1	O2	130.4°	23.5°
C1	C5	S1	O3	11.6°	156.5°
C1	C5	S1	C7	180.0°	180.0°
C5	C1	C2	C3	0.4°	0.0°
C1	C5	C7	C4	0.1°	0.0°
C5	C1	C2	H2	179.6°	180.0°
C1	C5	C7	H7	180.0°	180.0°
N1	S1	O2	O3	121.3°	122.9°
N1	S1	O2	C5	113.4°	114.1°
N1	S1	O3	C5	122.9°	114.1°
N1	S1	C5	C7	66.0°	90.0°
S1	N1	HN1	HN1A	120.0°	180.0°
O1	C3	C2	C4	179.4°	179.9°
O1	C3	C4	C7	178.6°	180.0°
O1	C3	C2	H2	1.0°	0.1°
O1	C3	C4	H4	1.4°	0.1°
C3	O1	C6	H6	180.0°	60.0°
C3	O1	C6	H6A	60.0°	59.9°
C3	O1	C6	H6B	60.0°	180.0°
C6	O1	C3	C2	172.1°	180.0°
C6	O1	C3	C4	8.5°	0.1°
O1	C6	H6	H6A	120.0°	120.0°
O1	C6	H6	H6B	120.0°	120.0°
O1	C6	H6A	H6B	120.0°	120.0°
O2	S1	O3	C5	117.3°	123.0°
O2	S1	C5	C7	49.6°	156.5°
O2	S1	N1	HN1	180.0°	113.5°
O2	S1	N1	HN1A	60.0°	66.4°
O3	S1	C5	C7	168.4°	23.5°
O3	S1	N1	HN1	61.4°	113.6°
O3	S1	N1	HN1A	178.6°	66.5°
S1	C5	C7	C4	180.0°	180.0°
S1	C5	C1	H1	0.4°	0.2°
C5	S1	N1	HN1	67.6°	0.0°
C5	S1	N1	HN1A	52.4°	180.0°
S1	C5	C7	H7	0.0°	0.0°
C2	C3	C4	C7	2.0°	0.1°
C3	C2	C1	H1	179.6°	179.8°
C2	C3	C4	H4	178.0°	179.9°
C3	C4	C7	H4	180.0°	179.9°
C3	C4	C7	C5	1.2°	0.1°
C4	C3	C2	H2	178.4°	180.0°
C3	C4	C7	H7	178.8°	179.9°
C4	C7	C5	H7	180.0°	180.0°
C7	C5	C1	H1	179.6°	179.8°
C5	C7	C4	H4	178.8°	179.9°
H1	C1	C2	H2	0.4°	0.3°
H4	C4	C7	H7	1.2°	0.1°
H6	C6	H6A	H6B	120.0°	120.0°

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon