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Summary Geometry Related PDB entries

JLZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C2	sing	1.35Å	1.33Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	C9	sing	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C3	C17	sing	1.51Å	1.53Å
C4	C6	doub	1.38Å	1.39Å	Aromatic
C6	C8	sing	1.39Å	1.40Å	Aromatic
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	C11	sing	1.48Å	1.51Å
C11	N12	doub	1.30Å	1.27Å
C11	N14	sing	1.38Å	1.31Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N12	HN12	sing	0.97Å	1.00Å
N14	HN14	sing	0.97Å	1.00Å
N14	HN1A	sing	0.97Å	1.00Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C2	C3	119.7°	120.0°
F1	C2	C9	120.1°	120.0°
C3	C2	C9	120.2°	120.1°
C2	C3	C4	119.0°	120.2°
C2	C3	C17	119.8°	119.9°
C2	C9	C8	120.7°	119.8°
C2	C9	H9	119.6°	120.1°
C4	C3	C17	121.2°	119.9°
C3	C4	C6	121.0°	120.2°
C3	C4	H4	119.5°	119.9°
C3	C17	H17	109.5°	109.5°
C3	C17	H17A	109.4°	109.5°
C3	C17	H17B	109.5°	109.4°
C4	C6	C8	120.1°	119.9°
C6	C4	H4	119.5°	119.9°
C4	C6	H6	120.0°	120.0°
C6	C8	C9	118.9°	119.8°
C6	C8	C11	118.6°	120.1°
C8	C6	H6	119.9°	120.1°
C9	C8	C11	122.5°	120.1°
C8	C9	H9	119.6°	120.1°
C8	C11	N12	116.2°	120.0°
C8	C11	N14	120.9°	120.0°
N12	C11	N14	122.9°	120.0°
C11	N12	HN12	112.0°	120.0°
C11	N14	HN14	120.0°	120.0°
C11	N14	HN1A	120.0°	120.0°
HN14	N14	HN1A	120.0°	120.0°
H17	C17	H17A	109.5°	109.4°
H17	C17	H17B	109.5°	109.5°
H17A	C17	H17B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C2	C3	C9	180.0°	179.7°
F1	C2	C3	C4	180.0°	180.0°
F1	C2	C3	C17	0.0°	0.0°
F1	C2	C9	C8	179.9°	179.7°
F1	C2	C9	H9	0.0°	0.0°
C2	C3	C4	C17	180.0°	180.0°
C2	C3	C4	C6	0.0°	0.0°
C3	C2	C9	C8	0.1°	0.6°
C2	C3	C4	H4	179.9°	180.0°
C3	C2	C9	H9	179.9°	179.7°
C2	C3	C17	H17	90.0°	90.0°
C2	C3	C17	H17A	150.0°	150.0°
C2	C3	C17	H17B	30.0°	30.0°
C9	C2	C3	C4	0.0°	0.3°
C9	C2	C3	C17	179.9°	179.7°
C2	C9	C8	C6	0.1°	0.5°
C2	C9	C8	H9	180.0°	179.7°
C2	C9	C8	C11	180.0°	179.7°
C3	C4	C6	H4	180.0°	179.9°
C3	C4	C6	C8	0.1°	0.0°
C3	C4	C6	H6	179.9°	180.0°
C4	C3	C17	H17	90.0°	90.0°
C4	C3	C17	H17A	30.0°	30.0°
C4	C3	C17	H17B	150.0°	149.9°
C17	C3	C4	C6	179.9°	180.0°
C17	C3	C4	H4	0.1°	0.1°
C3	C17	H17	H17A	120.0°	120.0°
C3	C17	H17	H17B	120.0°	120.0°
C3	C17	H17A	H17B	120.0°	120.0°
C4	C6	C8	H6	180.0°	180.0°
C4	C6	C8	C9	0.1°	0.2°
C4	C6	C8	C11	180.0°	180.0°
C6	C8	C9	C11	179.8°	179.8°
C6	C8	C11	N12	160.1°	0.0°
C6	C8	C11	N14	19.9°	180.0°
C8	C6	C4	H4	179.9°	179.9°
C6	C8	C9	H9	179.9°	179.8°
C9	C8	C11	N12	19.8°	179.8°
C9	C8	C11	N14	160.2°	0.2°
C9	C8	C6	H6	179.9°	179.8°
C8	C11	N12	N14	180.0°	180.0°
C11	C8	C6	H6	0.0°	0.0°
C11	C8	C9	H9	0.0°	0.1°
C8	C11	N12	HN12	180.0°	180.0°
C8	C11	N14	HN14	180.0°	0.0°
C8	C11	N14	HN1A	0.0°	180.0°
N12	C11	N14	HN14	0.0°	180.0°
N12	C11	N14	HN1A	180.0°	0.0°
N14	C11	N12	HN12	0.0°	0.0°
C11	N14	HN14	HN1A	179.9°	180.0°
H4	C4	C6	H6	0.1°	0.1°
H17	C17	H17A	H17B	120.0°	120.0°

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