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Summary Geometry Related PDB entries

TZL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.74Å	1.75Å	Aromatic
S1	C5	sing	1.79Å	1.89Å	Aromatic
C2	N3	doub	1.31Å	1.28Å	Aromatic
C2	C6	sing	1.51Å	1.50Å
N3	C4	sing	1.32Å	1.56Å	Aromatic
C4	C5	doub	1.36Å	1.52Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.53Å	1.53Å
C6	C9	sing	1.53Å	1.49Å
C6	H6	sing	1.09Å	1.12Å
C7	C8	sing	1.53Å	1.53Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C5	100.1°	97.4°
S1	C2	N3	102.1°	102.1°
S1	C2	C6	120.7°	128.9°
S1	C5	C4	101.8°	100.6°
S1	C5	H5	136.6°	129.7°
N3	C2	C6	133.3°	128.9°
C2	N3	C4	124.5°	121.5°
C2	C6	C7	109.9°	109.5°
C2	C6	C9	114.2°	109.5°
C2	C6	H6	106.7°	109.5°
N3	C4	C5	104.5°	118.3°
N3	C4	H4	128.8°	120.9°
C5	C4	H4	126.7°	120.8°
C4	C5	H5	121.6°	129.7°
C7	C6	C9	111.7°	109.5°
C7	C6	H6	109.4°	109.4°
C6	C7	C8	116.8°	109.6°
C6	C7	H71	109.5°	109.4°
C6	C7	H72	109.6°	109.5°
C9	C6	H6	104.6°	109.4°
C6	C9	H91	114.1°	109.4°
C6	C9	H92	110.5°	109.5°
C6	C9	H93	110.5°	109.5°
C8	C7	H71	109.6°	109.4°
C8	C7	H72	109.6°	109.5°
C7	C8	H81	116.8°	109.5°
C7	C8	H82	109.6°	109.6°
C7	C8	H83	109.5°	109.4°
H71	C7	H72	100.6°	109.4°
H81	C8	H82	109.6°	109.5°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	100.6°	109.4°
H91	C9	H92	110.5°	109.5°
H91	C9	H93	110.5°	109.4°
H92	C9	H93	99.8°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	N3	C6	156.7°	179.7°
S1	C2	N3	C4	26.1°	0.6°
C2	S1	C5	C4	6.2°	0.0°
C2	S1	C5	H5	173.8°	180.0°
S1	C2	C6	C7	86.0°	120.0°
S1	C2	C6	C9	147.5°	119.9°
S1	C2	C6	H6	32.4°	0.0°
C5	S1	C2	N3	9.7°	0.3°
C5	S1	C2	C6	170.1°	179.9°
S1	C5	C4	N3	17.2°	0.4°
S1	C5	C4	H5	180.0°	179.9°
S1	C5	C4	H4	162.8°	180.0°
C2	N3	C4	C5	32.1°	0.7°
C2	N3	C4	H4	147.9°	179.6°
N3	C2	C6	C7	67.3°	60.5°
N3	C2	C6	C9	59.2°	59.6°
N3	C2	C6	H6	174.2°	179.6°
C6	C2	N3	C4	177.2°	179.7°
C2	C6	C7	C9	127.8°	120.1°
C2	C6	C7	H6	116.8°	120.0°
C2	C6	C9	H6	116.3°	120.0°
C2	C6	C7	C8	156.3°	180.0°
C2	C6	C7	H71	78.5°	60.0°
C2	C6	C7	H72	31.0°	59.9°
C2	C6	C9	H91	180.0°	60.1°
C2	C6	C9	H92	54.7°	60.0°
C2	C6	C9	H93	54.8°	180.0°
N3	C4	C5	H4	180.0°	179.6°
N3	C4	C5	H5	162.8°	179.7°
H4	C4	C5	H5	17.2°	0.0°
C7	C6	C9	H6	118.2°	119.9°
C6	C7	C8	H71	125.2°	119.9°
C6	C7	C8	H72	125.3°	120.1°
C6	C7	H71	H72	115.3°	120.0°
C6	C7	C8	H81	180.0°	180.0°
C6	C7	C8	H82	54.7°	59.9°
C6	C7	C8	H83	54.8°	60.1°
C7	C6	C9	H91	54.5°	60.1°
C7	C6	C9	H92	70.8°	179.9°
C7	C6	C9	H93	179.8°	59.9°
C9	C6	C7	C8	28.5°	59.9°
C9	C6	C7	H71	153.7°	60.0°
C9	C6	C7	H72	96.8°	180.0°
C6	C9	H91	H92	125.2°	120.0°
C6	C9	H91	H93	125.2°	120.0°
C6	C9	H92	H93	116.3°	120.1°
H6	C6	C7	C8	86.9°	60.0°
H6	C6	C7	H71	38.3°	180.0°
H6	C6	C7	H72	147.8°	60.1°
H6	C6	C9	H91	63.7°	180.0°
H6	C6	C9	H92	171.0°	60.0°
H6	C6	C9	H93	61.5°	60.0°
C8	C7	H71	H72	115.4°	120.0°
C7	C8	H81	H82	125.3°	120.1°
C7	C8	H81	H83	125.2°	120.0°
C7	C8	H82	H83	115.3°	120.0°
H71	C7	C8	H81	54.7°	60.1°
H71	C7	C8	H82	179.9°	60.0°
H71	C7	C8	H83	70.4°	180.0°
H72	C7	C8	H81	54.8°	59.9°
H72	C7	C8	H82	70.5°	180.0°
H72	C7	C8	H83	180.0°	60.1°
H81	C8	H82	H83	115.3°	119.9°
H91	C9	H92	H93	116.4°	120.0°

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