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

3D3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C3	sing	1.35Å	1.34Å	Aromatic
N1	C5	doub	1.31Å	1.33Å	Aromatic
C3	N7	doub	1.34Å	1.36Å	Aromatic
C3	C2	sing	1.41Å	1.39Å	Aromatic
N7	C9	sing	1.31Å	1.33Å	Aromatic
C9	N8	doub	1.32Å	1.35Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
N8	C6	sing	1.33Å	1.35Å	Aromatic
C6	N13	sing	1.39Å	1.34Å
C6	C2	doub	1.39Å	1.39Å	Aromatic
N13	H131	sing	0.97Å	1.00Å
N13	H132	sing	0.97Å	1.00Å
C2	N4	sing	1.38Å	1.33Å	Aromatic
N4	C5	sing	1.36Å	1.33Å	Aromatic
N4	H4	sing	0.97Å	1.00Å
C5	S10	sing	1.76Å	1.73Å
S10	C14	sing	1.81Å	1.85Å
C14	C11	sing	1.51Å	1.57Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C11	O12	doub	1.21Å	1.24Å
C11	N15	sing	1.35Å	1.35Å
N15	H151	sing	0.97Å	1.00Å
N15	H152	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N1	C5	107.1°	109.9°
N1	C3	N7	133.2°	134.2°
N1	C3	C2	105.8°	107.1°
N1	C5	N4	112.3°	109.7°
N1	C5	S10	124.1°	125.1°
N7	C3	C2	121.0°	118.6°
C3	N7	C9	117.8°	120.5°
C3	C2	C6	118.9°	118.7°
C3	C2	N4	110.1°	106.3°
N7	C9	N8	123.3°	122.5°
N7	C9	H9	118.3°	118.8°
N8	C9	H9	118.4°	118.7°
C9	N8	C6	120.0°	121.1°
N8	C6	N13	122.8°	120.7°
N8	C6	C2	118.9°	118.5°
N13	C6	C2	118.2°	120.7°
C6	N13	H131	109.5°	120.0°
C6	N13	H132	109.5°	120.0°
C6	C2	N4	131.0°	135.0°
H131	N13	H132	109.5°	120.0°
C2	N4	C5	104.7°	107.0°
C2	N4	H4	127.7°	126.5°
C5	N4	H4	127.6°	126.5°
N4	C5	S10	123.5°	125.2°
C5	S10	C14	103.0°	100.0°
S10	C14	C11	116.7°	109.5°
S10	C14	H141	105.5°	109.4°
S10	C14	H142	107.2°	109.5°
C11	C14	H141	105.5°	109.5°
C11	C14	H142	107.1°	109.5°
C14	C11	O12	120.2°	120.0°
C14	C11	N15	117.4°	120.0°
H141	C14	H142	115.3°	109.4°
O12	C11	N15	122.4°	120.0°
C11	N15	H151	125.5°	120.0°
C11	N15	H152	108.9°	120.0°
H151	N15	H152	125.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C3	N7	C2	178.2°	179.6°
N1	C3	N7	C9	178.0°	179.7°
N1	C3	C2	C6	179.6°	179.8°
N1	C3	C2	N4	1.0°	0.3°
C3	N1	C5	N4	0.4°	0.4°
C3	N1	C5	S10	178.4°	179.9°
C5	N1	C3	N7	178.7°	180.0°
C5	N1	C3	C2	0.4°	0.4°
N1	C5	N4	C2	1.0°	0.2°
N1	C5	N4	S10	178.0°	179.7°
N1	C5	N4	H4	179.0°	179.7°
N1	C5	S10	C14	16.0°	0.3°
C3	N7	C9	N8	1.5°	0.0°
C3	N7	C9	H9	178.5°	179.9°
N7	C3	C2	C6	1.0°	0.1°
N7	C3	C2	N4	179.7°	180.0°
C2	C3	N7	C9	0.2°	0.1°
C3	C2	C6	N8	0.9°	0.0°
C3	C2	C6	N13	179.2°	180.0°
C3	C2	C6	N4	179.2°	179.9°
C3	C2	N4	C5	1.3°	0.1°
C3	C2	N4	H4	178.8°	180.0°
N7	C9	N8	H9	180.0°	179.9°
N7	C9	N8	C6	1.6°	0.0°
C9	N8	C6	N13	177.9°	180.0°
C9	N8	C6	C2	0.4°	0.0°
H9	C9	N8	C6	178.4°	179.9°
N8	C6	N13	C2	178.3°	180.0°
N8	C6	N13	H131	57.9°	180.0°
N8	C6	N13	H132	62.1°	0.0°
N8	C6	C2	N4	179.9°	179.9°
C6	N13	H131	H132	120.0°	180.0°
N13	C6	C2	N4	1.6°	0.1°
C2	C6	N13	H131	120.4°	0.0°
C2	C6	N13	H132	119.6°	180.0°
C6	C2	N4	C5	179.5°	180.0°
C6	C2	N4	H4	0.5°	0.1°
C2	N4	C5	H4	180.0°	179.9°
C2	N4	C5	S10	179.1°	179.9°
N4	C5	S10	C14	166.1°	180.0°
H4	N4	C5	S10	0.9°	0.0°
C5	S10	C14	C11	167.9°	180.0°
C5	S10	C14	H141	51.2°	60.0°
C5	S10	C14	H142	72.1°	60.0°
S10	C14	C11	H141	116.7°	120.0°
S10	C14	C11	H142	120.0°	120.0°
S10	C14	H141	H142	118.0°	120.0°
S10	C14	C11	O12	176.5°	0.0°
S10	C14	C11	N15	3.6°	180.0°
C11	C14	H141	H142	118.0°	120.0°
C14	C11	O12	N15	179.9°	180.0°
C14	C11	N15	H151	179.9°	180.0°
C14	C11	N15	H152	0.0°	0.3°
H141	C14	C11	O12	66.8°	120.0°
H141	C14	C11	N15	113.1°	60.0°
H142	C14	C11	O12	56.5°	120.0°
H142	C14	C11	N15	123.6°	60.0°
O12	C11	N15	H151	0.1°	0.1°
O12	C11	N15	H152	179.9°	179.7°
C11	N15	H151	H152	180.0°	179.7°

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon