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Summary Geometry Related PDB entries

BQ4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C07	doub	1.22Å	1.24Å
C10	C11	doub	1.38Å	1.42Å	Aromatic
C10	C09	sing	1.40Å	1.41Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
O05	C04	sing	1.35Å	1.35Å
C07	C09	sing	1.48Å	1.51Å
C07	C06	sing	1.47Å	1.43Å
C09	C15	doub	1.40Å	1.40Å	Aromatic
C12	C13	doub	1.39Å	1.41Å	Aromatic
C15	C13	sing	1.39Å	1.41Å	Aromatic
C04	C06	doub	1.35Å	1.35Å
C04	C02	sing	1.48Å	1.54Å
C13	O14	sing	1.36Å	1.39Å
O01	C02	doub	1.21Å	1.25Å
C02	O03	sing	1.35Å	1.25Å
C10	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
O03	H8	sing	0.97Å	0.95Å
O05	H9	sing	0.97Å	0.95Å
O14	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C07	C09	116.2°	120.0°
O08	C07	C06	121.2°	119.9°
C11	C10	C09	121.3°	119.9°
C10	C11	C12	120.3°	120.2°
C11	C10	H1	119.4°	120.1°
C10	C11	H6	119.8°	119.9°
C10	C09	C07	121.9°	120.1°
C10	C09	C15	118.2°	119.8°
C09	C10	H1	119.4°	120.0°
C11	C12	C13	118.1°	120.3°
C12	C11	H6	119.9°	119.9°
C11	C12	H7	120.9°	119.9°
O05	C04	C06	116.9°	120.0°
O05	C04	C02	117.0°	119.9°
C04	O05	H9	109.5°	114.1°
C09	C07	C06	122.6°	120.0°
C07	C09	C15	119.8°	120.1°
C07	C06	C04	126.1°	120.0°
C07	C06	H4	117.0°	119.9°
C09	C15	C13	120.4°	119.8°
C09	C15	H2	119.8°	120.1°
C12	C13	C15	121.8°	120.0°
C12	C13	O14	119.8°	120.0°
C13	C12	H7	121.0°	119.9°
C15	C13	O14	118.4°	120.0°
C13	C15	H2	119.8°	120.1°
C06	C04	C02	123.2°	120.1°
C04	C06	H4	117.0°	120.0°
C04	C02	O01	115.0°	119.9°
C04	C02	O03	117.0°	120.1°
C13	O14	H10	109.5°	114.0°
O01	C02	O03	128.0°	120.0°
C02	O03	H8	109.5°	117.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C07	C09	C10	42.7°	180.0°
O08	C07	C09	C06	177.7°	180.0°
O08	C07	C09	C15	135.2°	0.0°
O08	C07	C06	C04	10.1°	0.1°
O08	C07	C06	H4	169.9°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C10	C11	C12	H6	180.0°	180.0°
C11	C10	C09	C07	179.0°	180.0°
C11	C10	C09	C15	1.1°	0.0°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	H7	179.8°	180.0°
C09	C10	C11	C12	0.4°	0.0°
C10	C09	C07	C15	177.9°	180.0°
C10	C09	C07	C06	139.7°	0.0°
C10	C09	C15	C13	1.0°	0.0°
C10	C09	C15	H2	179.0°	179.9°
C09	C10	C11	H6	179.6°	180.0°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C15	0.3°	0.0°
C11	C12	C13	O14	179.8°	180.0°
C12	C11	C10	H1	179.6°	179.7°
O05	C04	C06	C07	22.3°	0.1°
O05	C04	C06	C02	160.2°	179.9°
O05	C04	C02	O01	22.3°	180.0°
O05	C04	C02	O03	157.9°	0.0°
O05	C04	C06	H4	157.7°	180.0°
C07	C09	C15	C13	179.0°	180.0°
C09	C07	C06	C04	167.5°	180.0°
C07	C09	C10	H1	1.0°	0.3°
C07	C09	C15	H2	1.0°	0.1°
C09	C07	C06	H4	12.5°	0.0°
C06	C07	C09	C15	42.5°	180.0°
C07	C06	C04	H4	180.0°	179.9°
C07	C06	C04	C02	137.9°	180.0°
C09	C15	C13	C12	0.4°	0.0°
C09	C15	C13	H2	180.0°	179.9°
C09	C15	C13	O14	179.5°	180.0°
C15	C09	C10	H1	178.9°	179.7°
C12	C13	C15	O14	179.9°	180.0°
C12	C13	C15	H2	179.7°	179.9°
C13	C12	C11	H6	179.8°	180.0°
C12	C13	O14	H10	180.0°	90.0°
C15	C13	C12	H7	179.7°	180.0°
C15	C13	O14	H10	0.1°	90.0°
C06	C04	C02	O01	137.9°	0.1°
C06	C04	C02	O03	41.9°	180.0°
C06	C04	O05	H9	15.4°	180.0°
C04	C02	O01	O03	179.7°	180.0°
C02	C04	C06	H4	42.1°	0.1°
C04	C02	O03	H8	179.7°	179.9°
C02	C04	O05	H9	146.1°	0.1°
O14	C13	C15	H2	0.5°	0.1°
O14	C13	C12	H7	0.2°	0.0°
O01	C02	O03	H8	0.0°	0.1°
H1	C10	C11	H6	0.4°	0.3°
H6	C11	C12	H7	0.2°	0.0°

223532

PDB entries from 2024-08-07

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