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Summary Geometry Related PDB entries

WNP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C12	sing	1.74Å	1.78Å
C12	C14	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C14	C08	sing	1.39Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C08	N07	sing	1.40Å	1.46Å
C08	C09	doub	1.39Å	1.40Å	Aromatic
N07	C05	sing	1.35Å	1.45Å
F03	C02	sing	1.40Å	1.36Å
C10	C09	sing	1.38Å	1.39Å	Aromatic
C05	C02	sing	1.51Å	1.53Å
C05	O06	doub	1.21Å	1.19Å
C02	F01	sing	1.40Å	1.36Å
C02	F04	sing	1.40Å	1.36Å
C10	H1	sing	1.08Å	1.08Å
C09	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
N07	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C12	C14	117.6°	120.0°
CL1	C12	C11	122.7°	120.0°
C14	C12	C11	119.7°	120.1°
C12	C14	C08	121.2°	119.9°
C12	C14	H4	119.4°	120.0°
C12	C11	C10	119.9°	120.1°
C12	C11	H3	120.0°	120.0°
C14	C08	N07	115.2°	120.1°
C14	C08	C09	119.2°	119.8°
C08	C14	H4	119.4°	120.0°
C11	C10	C09	120.4°	120.1°
C11	C10	H1	119.8°	119.9°
C10	C11	H3	120.1°	119.9°
N07	C08	C09	125.6°	120.1°
C08	N07	C05	126.9°	120.0°
C08	N07	H5	116.5°	120.0°
C08	C09	C10	119.6°	120.0°
C08	C09	H2	120.2°	120.0°
N07	C05	C02	117.8°	120.0°
N07	C05	O06	122.2°	120.0°
C05	N07	H5	116.6°	120.0°
F03	C02	C05	111.1°	109.5°
F03	C02	F01	108.5°	109.5°
F03	C02	F04	107.7°	109.5°
C09	C10	H1	119.8°	120.0°
C10	C09	H2	120.2°	120.0°
C02	C05	O06	119.9°	120.0°
C05	C02	F01	111.5°	109.5°
C05	C02	F04	108.5°	109.5°
F01	C02	F04	109.6°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C12	C14	C11	179.9°	179.8°
CL1	C12	C14	C08	179.3°	180.0°
CL1	C12	C11	C10	179.6°	179.7°
CL1	C12	C11	H3	0.4°	0.2°
CL1	C12	C14	H4	0.7°	0.2°
C12	C14	C08	H4	180.0°	179.8°
C14	C12	C11	C10	0.3°	0.1°
C12	C14	C08	N07	179.7°	180.0°
C12	C14	C08	C09	1.5°	0.5°
C14	C12	C11	H3	179.7°	180.0°
C11	C12	C14	C08	0.8°	0.2°
C12	C11	C10	H3	180.0°	179.9°
C12	C11	C10	C09	0.7°	0.0°
C12	C11	C10	H1	179.3°	179.7°
C11	C12	C14	H4	179.2°	180.0°
C14	C08	N07	C09	178.1°	179.5°
C14	C08	N07	C05	178.2°	35.5°
C14	C08	C09	C10	1.1°	0.5°
C14	C08	C09	H2	178.9°	179.5°
C14	C08	N07	H5	1.8°	144.4°
C11	C10	C09	C08	0.0°	0.3°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	H2	180.0°	179.7°
C08	N07	C05	H5	180.0°	179.9°
N07	C08	C09	C10	179.1°	180.0°
C08	N07	C05	C02	179.1°	175.4°
C08	N07	C05	O06	0.3°	4.6°
N07	C08	C09	H2	0.9°	0.0°
N07	C08	C14	H4	0.3°	0.2°
C09	C08	N07	C05	3.7°	145.0°
C08	C09	C10	H2	180.0°	180.0°
C08	C09	C10	H1	180.0°	180.0°
C09	C08	C14	H4	178.5°	179.7°
C09	C08	N07	H5	176.3°	35.1°
N07	C05	C02	F03	1.1°	60.0°
N07	C05	C02	O06	179.5°	180.0°
N07	C05	C02	F01	120.0°	180.0°
N07	C05	C02	F04	119.2°	60.0°
F03	C02	C05	F01	121.1°	120.0°
F03	C02	C05	F04	118.2°	120.0°
F03	C02	C05	O06	178.4°	120.0°
F03	C02	F01	F04	117.3°	120.0°
C09	C10	C11	H3	179.3°	180.0°
C05	C02	F01	F04	120.1°	120.0°
C02	C05	N07	H5	0.9°	4.7°
O06	C05	C02	F01	60.5°	0.0°
O06	C05	C02	F04	60.2°	120.0°
O06	C05	N07	H5	179.7°	175.3°
H1	C10	C09	H2	0.0°	0.0°
H1	C10	C11	H3	0.7°	0.2°

226262

PDB entries from 2024-10-16

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