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Summary Geometry Related PDB entries

ZCI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	N06	sing	1.34Å	1.30Å	Aromatic
C05	C04	doub	1.35Å	1.35Å	Aromatic
N06	C02	doub	1.31Å	1.33Å	Aromatic
C04	N03	sing	1.37Å	1.31Å	Aromatic
C02	BR01	sing	1.89Å	1.94Å
C02	N03	sing	1.35Å	1.34Å	Aromatic
N03	H1	sing	0.97Å	1.00Å
C04	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N06	C05	C04	108.6°	108.0°
C05	N06	C02	108.3°	109.2°
N06	C05	H3	125.7°	126.0°
C05	C04	N03	107.0°	106.9°
C05	C04	H2	126.5°	126.6°
C04	C05	H3	125.7°	126.0°
N06	C02	BR01	126.9°	125.6°
N06	C02	N03	107.6°	108.7°
C04	N03	C02	108.5°	107.2°
C04	N03	H1	125.8°	126.4°
N03	C04	H2	126.5°	126.5°
BR01	C02	N03	125.5°	125.7°
C02	N03	H1	125.8°	126.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N06	C05	C04	H3	180.0°	179.6°
N06	C05	C04	N03	0.7°	0.2°
C05	N06	C02	BR01	179.5°	179.9°
C05	N06	C02	N03	0.5°	0.4°
N06	C05	C04	H2	179.3°	179.7°
C04	C05	N06	C02	0.7°	0.4°
C05	C04	N03	H2	180.0°	180.0°
C05	C04	N03	C02	0.4°	0.0°
C05	C04	N03	H1	179.6°	180.0°
N06	C02	N03	C04	0.0°	0.3°
N06	C02	BR01	N03	180.0°	179.6°
N06	C02	N03	H1	180.0°	179.7°
C02	N06	C05	H3	179.3°	180.0°
C04	N03	C02	BR01	180.0°	180.0°
C04	N03	C02	H1	180.0°	180.0°
N03	C04	C05	H3	179.3°	179.9°
BR01	C02	N03	H1	0.0°	0.0°
C02	N03	C04	H2	179.6°	180.0°
H1	N03	C04	H2	0.4°	0.0°
H2	C04	C05	H3	0.7°	0.1°

226707

PDB entries from 2024-10-30

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