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Summary Geometry Related PDB entries

A1CE5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C08	doub	1.39Å	1.40Å	Aromatic
C09	C10	sing	1.38Å	1.37Å	Aromatic
C08	C07	sing	1.36Å	1.38Å	Aromatic
C10	C11	doub	1.39Å	1.41Å	Aromatic
C07	C06	doub	1.40Å	1.39Å	Aromatic
C11	C06	sing	1.41Å	1.42Å	Aromatic
C11	N12	sing	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.42Å	1.44Å	Aromatic
N12	C04	sing	1.38Å	1.40Å	Aromatic
C05	C04	doub	1.36Å	1.40Å	Aromatic
C04	C02	sing	1.47Å	1.45Å
C02	O03	doub	1.22Å	1.24Å
C02	N01	sing	1.35Å	1.40Å
C10	H1	sing	1.08Å	1.08Å
N12	H2	sing	0.97Å	1.00Å
C05	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
N01	H7	sing	0.97Å	1.00Å
N01	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	C09	C10	120.8°	120.7°
C09	C08	C07	121.5°	120.6°
C09	C08	H5	119.3°	119.6°
C08	C09	H6	119.6°	119.7°
C09	C10	C11	118.0°	119.8°
C09	C10	H1	121.0°	120.1°
C10	C09	H6	119.6°	119.6°
C08	C07	C06	119.4°	119.8°
C08	C07	H4	120.3°	120.0°
C07	C08	H5	119.3°	119.8°
C10	C11	C06	121.6°	119.4°
C10	C11	N12	131.6°	133.2°
C11	C10	H1	121.0°	120.1°
C07	C06	C11	118.8°	119.7°
C07	C06	C05	133.7°	133.4°
C06	C07	H4	120.3°	120.1°
C06	C11	N12	106.9°	107.4°
C11	C06	C05	107.6°	106.9°
C11	N12	C04	110.6°	108.8°
C11	N12	H2	124.7°	125.6°
C06	C05	C04	107.5°	107.7°
C06	C05	H3	126.2°	126.1°
N12	C04	C05	107.5°	109.2°
N12	C04	C02	124.1°	125.4°
C04	N12	H2	124.7°	125.6°
C05	C04	C02	128.4°	125.4°
C04	C05	H3	126.3°	126.1°
C04	C02	O03	120.0°	120.0°
C04	C02	N01	122.9°	120.0°
O03	C02	N01	117.2°	120.0°
C02	N01	H7	120.0°	120.0°
C02	N01	H8	120.0°	119.9°
H7	N01	H8	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	C09	C10	H6	180.0°	179.9°
C09	C08	C07	H5	180.0°	179.3°
C08	C09	C10	C11	0.2°	0.1°
C09	C08	C07	C06	0.3°	0.8°
C08	C09	C10	H1	179.8°	179.7°
C09	C08	C07	H4	179.8°	179.8°
C10	C09	C08	C07	0.1°	0.4°
C09	C10	C11	H1	180.0°	179.7°
C09	C10	C11	C06	0.2°	0.3°
C09	C10	C11	N12	179.6°	179.7°
C10	C09	C08	H5	179.8°	179.7°
C08	C07	C06	H4	180.0°	179.4°
C08	C07	C06	C11	0.6°	0.6°
C08	C07	C06	C05	179.8°	179.5°
C07	C08	C09	H6	179.9°	179.4°
C10	C11	C06	C07	0.6°	0.0°
C10	C11	C06	N12	179.5°	180.0°
C10	C11	C06	C05	180.0°	180.0°
C10	C11	N12	C04	179.8°	180.0°
C10	C11	N12	H2	0.2°	0.1°
C11	C10	C09	H6	179.8°	180.0°
C07	C06	C11	C05	179.4°	179.9°
C07	C06	C11	N12	179.9°	180.0°
C07	C06	C05	C04	179.7°	180.0°
C07	C06	C05	H3	0.3°	0.0°
C06	C07	C08	H5	179.8°	180.0°
C06	C11	N12	C04	0.3°	0.1°
C11	C06	C05	C04	0.4°	0.0°
C06	C11	C10	H1	179.8°	179.9°
C06	C11	N12	H2	179.7°	180.0°
C11	C06	C05	H3	179.6°	180.0°
C11	C06	C07	H4	179.4°	180.0°
N12	C11	C06	C05	0.5°	0.0°
C11	N12	C04	H2	180.0°	179.9°
C11	N12	C04	C05	0.0°	0.0°
C11	N12	C04	C02	180.0°	180.0°
N12	C11	C10	H1	0.4°	0.0°
C06	C05	C04	N12	0.3°	0.0°
C06	C05	C04	H3	180.0°	180.0°
C06	C05	C04	C02	179.8°	180.0°
C05	C06	C07	H4	0.2°	0.1°
N12	C04	C05	C02	180.0°	180.0°
N12	C04	C02	O03	8.9°	180.0°
N12	C04	C02	N01	171.1°	0.1°
N12	C04	C05	H3	179.8°	180.0°
C05	C04	C02	O03	171.1°	0.0°
C05	C04	C02	N01	8.8°	180.0°
C05	C04	N12	H2	179.9°	180.0°
C04	C02	O03	N01	179.9°	180.0°
C02	C04	N12	H2	0.1°	0.0°
C02	C04	C05	H3	0.2°	0.0°
C04	C02	N01	H7	179.9°	180.0°
C04	C02	N01	H8	0.1°	0.0°
O03	C02	N01	H7	0.0°	0.1°
O03	C02	N01	H8	180.0°	180.0°
C02	N01	H7	H8	180.0°	179.9°
H1	C10	C09	H6	0.1°	0.4°
H4	C07	C08	H5	0.2°	0.5°
H5	C08	C09	H6	0.1°	0.2°

247947

PDB entries from 2026-01-21

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