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Summary Geometry Related PDB entries

928

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C14	trip	1.14Å	1.16Å
C14	C4	sing	1.43Å	1.33Å
C4	C3	sing	1.41Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.37Å	Aromatic
C3	N2	doub	1.30Å	1.37Å	Aromatic
N2	N1	sing	1.40Å	1.41Å	Aromatic
C5	N13	sing	1.38Å	1.35Å
C5	N1	sing	1.35Å	1.32Å	Aromatic
N1	C6	sing	1.40Å	1.34Å	Aromatic
C6	C11	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C9	CL12	sing	1.74Å	1.80Å
C9	C8	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
N13	HN13	sing	0.97Å	1.00Å
N13	HN1A	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C14	C4	179.9°	180.0°
C14	C4	C3	124.7°	126.5°
C14	C4	C5	124.7°	126.5°
C3	C4	C5	110.6°	107.0°
C4	C3	N2	105.9°	108.3°
C4	C3	H3	127.1°	125.9°
C4	C5	N13	127.0°	126.4°
C4	C5	N1	106.1°	107.1°
C3	N2	N1	106.4°	109.2°
N2	C3	H3	127.1°	125.9°
N2	N1	C5	111.1°	108.4°
N2	N1	C6	124.5°	125.8°
N13	C5	N1	127.0°	126.5°
C5	N13	HN13	109.5°	120.0°
C5	N13	HN1A	109.5°	119.9°
C5	N1	C6	124.5°	125.8°
N1	C6	C11	122.4°	120.0°
N1	C6	C7	122.5°	120.1°
C11	C6	C7	115.1°	119.9°
C6	C11	C10	123.1°	119.9°
C6	C11	H11	118.5°	120.1°
C6	C7	C8	123.1°	119.9°
C6	C7	H7	118.5°	120.1°
C11	C10	C9	119.9°	120.1°
C10	C11	H11	118.5°	120.0°
C11	C10	H10	120.0°	119.9°
C10	C9	CL12	120.6°	119.9°
C10	C9	C8	118.9°	120.1°
C9	C10	H10	120.0°	120.0°
CL12	C9	C8	120.6°	120.0°
C9	C8	C7	119.9°	120.1°
C9	C8	H8	120.0°	120.0°
C7	C8	H8	120.0°	119.9°
C8	C7	H7	118.4°	120.0°
HN13	N13	HN1A	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C14	C4	C3	145.6°	33.3°
N15	C14	C4	C5	34.4°	147.1°
C14	C4	C3	C5	180.0°	179.7°
C14	C4	C3	N2	180.0°	179.9°
C14	C4	C5	N13	0.0°	0.1°
C14	C4	C5	N1	180.0°	179.9°
C14	C4	C3	H3	0.0°	0.1°
C4	C3	N2	H3	180.0°	180.0°
C4	C3	N2	N1	0.0°	0.0°
C3	C4	C5	N13	180.0°	179.8°
C3	C4	C5	N1	0.0°	0.4°
C5	C4	C3	N2	0.0°	0.2°
C4	C5	N1	N2	0.0°	0.4°
C4	C5	N13	N1	180.0°	179.8°
C4	C5	N1	C6	180.0°	179.9°
C5	C4	C3	H3	180.0°	179.7°
C4	C5	N13	HN13	0.7°	0.0°
C4	C5	N13	HN1A	119.3°	179.9°
C3	N2	N1	C5	0.0°	0.3°
C3	N2	N1	C6	180.0°	180.0°
N2	N1	C5	N13	180.0°	179.7°
N2	N1	C5	C6	180.0°	179.7°
N2	N1	C6	C11	131.3°	35.0°
N2	N1	C6	C7	48.6°	144.8°
N1	N2	C3	H3	180.0°	180.0°
N13	C5	N1	C6	0.0°	0.0°
C5	N13	HN13	HN1A	120.0°	179.9°
C5	N1	C6	C11	48.7°	145.3°
C5	N1	C6	C7	131.3°	34.9°
N1	C5	N13	HN13	179.3°	179.8°
N1	C5	N13	HN1A	60.7°	0.1°
N1	C6	C11	C7	179.9°	179.8°
N1	C6	C11	C10	180.0°	180.0°
N1	C6	C7	C8	180.0°	179.7°
N1	C6	C11	H11	0.0°	0.1°
N1	C6	C7	H7	0.1°	0.1°
C6	C11	C10	H11	180.0°	179.9°
C6	C11	C10	C9	0.0°	0.1°
C11	C6	C7	C8	0.0°	0.5°
C6	C11	C10	H10	179.9°	180.0°
C11	C6	C7	H7	180.0°	179.7°
C7	C6	C11	C10	0.0°	0.2°
C6	C7	C8	C9	0.0°	0.5°
C6	C7	C8	H7	180.0°	179.8°
C7	C6	C11	H11	180.0°	179.7°
C6	C7	C8	H8	180.0°	179.8°
C11	C10	C9	H10	180.0°	179.9°
C11	C10	C9	CL12	180.0°	180.0°
C11	C10	C9	C8	0.0°	0.0°
C10	C9	CL12	C8	180.0°	179.9°
C10	C9	C8	C7	0.0°	0.2°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	C8	H8	180.0°	180.0°
CL12	C9	C8	C7	180.0°	179.7°
CL12	C9	C10	H10	0.1°	0.1°
CL12	C9	C8	H8	0.0°	0.0°
C9	C8	C7	H8	180.0°	179.7°
C8	C9	C10	H10	180.0°	180.0°
C9	C8	C7	H7	180.0°	179.7°
H11	C11	C10	H10	0.1°	0.1°
H8	C8	C7	H7	0.0°	0.0°

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