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Summary Geometry Related PDB entries

AEA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.43Å
N1	HN11	sing	1.01Å	1.00Å
N1	HN12	sing	1.01Å	1.00Å
C1	C3	sing	1.53Å	1.55Å
C1	C2	sing	1.51Å	1.49Å
C1	H11	sing	1.09Å	1.10Å
C3	S1	sing	1.81Å	1.83Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C2	N2	sing	1.35Å	1.44Å
C2	O3	doub	1.21Å	1.24Å
N2	HN21	sing	0.97Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
S1	C4	sing	1.81Å	1.83Å
C4	C5	sing	1.51Å	1.51Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
O1	C5	doub	1.21Å	1.22Å
C5	O2	sing	1.34Å	1.44Å
O2	HO21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	HN11	109.5°	111.1°
C1	N1	HN12	109.5°	111.0°
N1	C1	C3	111.5°	109.5°
N1	C1	C2	119.9°	109.5°
N1	C1	H11	103.0°	109.5°
HN11	N1	HN12	109.5°	111.1°
C3	C1	C2	114.9°	109.5°
C3	C1	H11	102.0°	109.5°
C1	C3	S1	102.3°	109.5°
C1	C3	H31	111.3°	109.4°
C1	C3	H32	111.2°	109.5°
C2	C1	H11	102.5°	109.5°
C1	C2	N2	122.0°	120.0°
C1	C2	O3	119.5°	120.0°
S1	C3	H31	111.2°	109.5°
S1	C3	H32	111.2°	109.5°
C3	S1	C4	96.5°	103.0°
H31	C3	H32	109.5°	109.5°
N2	C2	O3	118.5°	120.0°
C2	N2	HN21	120.0°	120.0°
C2	N2	HN22	120.0°	120.0°
HN21	N2	HN22	120.0°	119.9°
S1	C4	C5	105.8°	109.5°
S1	C4	H41	110.4°	109.5°
S1	C4	H42	110.4°	109.5°
C5	C4	H41	110.4°	109.5°
C5	C4	H42	110.4°	109.5°
C4	C5	O1	124.5°	120.0°
C4	C5	O2	114.3°	120.0°
H41	C4	H42	109.5°	109.4°
O1	C5	O2	121.2°	120.0°
C5	O2	HO21	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	HN11	HN12	120.0°	124.0°
N1	C1	C3	C2	140.7°	120.0°
N1	C1	C3	H11	109.3°	120.0°
N1	C1	C2	H11	113.1°	120.0°
N1	C1	C3	S1	76.8°	65.0°
N1	C1	C3	H31	164.3°	175.0°
N1	C1	C3	H32	42.0°	55.1°
N1	C1	C2	N2	91.8°	160.0°
N1	C1	C2	O3	90.3°	20.0°
HN11	N1	C1	C3	180.0°	64.0°
HN11	N1	C1	C2	41.5°	176.0°
HN11	N1	C1	H11	71.4°	56.0°
HN12	N1	C1	C3	60.0°	60.0°
HN12	N1	C1	C2	161.5°	60.0°
HN12	N1	C1	H11	48.6°	180.0°
C3	C1	C2	H11	109.7°	120.0°
C1	C3	S1	H31	118.8°	119.9°
C1	C3	S1	H32	118.8°	120.0°
C1	C3	H31	H32	123.4°	120.0°
C3	C1	C2	N2	45.4°	80.0°
C3	C1	C2	O3	132.5°	100.0°
C1	C3	S1	C4	68.6°	180.0°
C2	C1	C3	S1	142.4°	175.0°
C2	C1	C3	H31	23.6°	55.0°
C2	C1	C3	H32	98.7°	64.9°
C1	C2	N2	O3	177.9°	180.0°
C1	C2	N2	HN21	177.9°	0.0°
C1	C2	N2	HN22	2.0°	180.0°
H11	C1	C3	S1	32.5°	55.0°
H11	C1	C3	H31	86.4°	65.0°
H11	C1	C3	H32	151.3°	175.0°
H11	C1	C2	N2	155.1°	40.0°
H11	C1	C2	O3	22.8°	140.0°
S1	C3	H31	H32	123.3°	120.1°
C3	S1	C4	C5	93.4°	180.0°
C3	S1	C4	H41	147.2°	60.0°
C3	S1	C4	H42	26.0°	60.0°
H31	C3	S1	C4	50.3°	60.0°
H32	C3	S1	C4	172.6°	60.0°
C2	N2	HN21	HN22	180.0°	180.0°
O3	C2	N2	HN21	0.0°	180.0°
O3	C2	N2	HN22	180.0°	0.0°
S1	C4	C5	H41	119.4°	120.0°
S1	C4	C5	H42	119.4°	120.0°
S1	C4	H41	H42	121.7°	120.0°
S1	C4	C5	O1	142.8°	0.0°
S1	C4	C5	O2	37.1°	180.0°
C5	C4	H41	H42	121.7°	120.0°
C4	C5	O1	O2	179.9°	180.0°
C4	C5	O2	HO21	179.9°	179.9°
H41	C4	C5	O1	97.8°	120.0°
H41	C4	C5	O2	82.4°	60.0°
H42	C4	C5	O1	23.4°	120.0°
H42	C4	C5	O2	156.5°	60.0°
O1	C5	O2	HO21	0.0°	0.1°

248636

PDB entries from 2026-02-04

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