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Summary Geometry Related PDB entries

Obsolete: TZO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N1	doub	1.29Å	1.31Å	Aromatic
C2	S3	sing	1.71Å	1.75Å	Aromatic
C2	HC21	sing	1.08Å	1.08Å
N1	C5	sing	1.34Å	1.36Å	Aromatic
S3	C4	sing	1.71Å	1.65Å	Aromatic
C5	C4	doub	1.35Å	1.43Å	Aromatic
C5	C6	sing	1.47Å	1.43Å
C4	HC41	sing	1.08Å	1.08Å
C6	O7	doub	1.22Å	1.28Å
C6	O61	sing	1.35Å	1.32Å
O61	HO'	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	S3	111.5°	110.5°
N1	C2	HC21	124.3°	124.8°
C2	N1	C5	114.0°	115.8°
S3	C2	HC21	124.3°	124.7°
C2	S3	C4	91.6°	91.2°
N1	C5	C4	112.7°	113.7°
N1	C5	C6	121.4°	123.2°
S3	C4	C5	110.1°	108.8°
S3	C4	HC41	125.0°	125.6°
C4	C5	C6	125.8°	123.1°
C5	C4	HC41	125.0°	125.6°
C5	C6	O7	122.0°	120.0°
C5	C6	O61	117.3°	120.0°
O7	C6	O61	120.6°	120.0°
C6	O61	HO'	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	S3	HC21	180.0°	179.7°
N1	C2	S3	C4	1.6°	0.0°
C2	N1	C5	C4	3.6°	0.0°
C2	N1	C5	C6	179.5°	180.0°
S3	C2	N1	C5	1.0°	0.0°
C2	S3	C4	C5	3.4°	0.0°
C2	S3	C4	HC41	176.6°	179.9°
HC21	C2	N1	C5	179.0°	179.7°
HC21	C2	S3	C4	178.5°	179.7°
N1	C5	C4	S3	4.7°	0.0°
N1	C5	C4	C6	175.6°	180.0°
N1	C5	C4	HC41	175.3°	179.9°
N1	C5	C6	O7	165.6°	180.0°
N1	C5	C6	O61	17.6°	0.0°
S3	C4	C5	HC41	180.0°	179.9°
S3	C4	C5	C6	179.7°	180.0°
C4	C5	C6	O7	9.7°	0.0°
C4	C5	C6	O61	167.1°	180.0°
C6	C5	C4	HC41	0.3°	0.1°
C5	C6	O7	O61	176.8°	180.0°
C5	C6	O61	HO'	176.9°	180.0°
O7	C6	O61	HO'	0.0°	0.0°

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PDB entries from 2024-10-16

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