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Summary Geometry Related PDB entries

36Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR	C9	sing	1.89Å	1.93Å
C9	C8	doub	1.38Å	1.40Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C11	C6	sing	1.39Å	1.39Å	Aromatic
C6	C4	sing	1.48Å	1.52Å
C4	C5	doub	1.36Å	1.40Å	Aromatic
C4	N3	sing	1.35Å	1.35Å	Aromatic
C5	N1	sing	1.37Å	1.36Å	Aromatic
N3	C2	doub	1.30Å	1.33Å	Aromatic
N1	C2	sing	1.35Å	1.33Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
N1	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR	C9	C8	122.8°	119.9°
BR	C9	C10	118.6°	119.8°
C8	C9	C10	118.6°	120.2°
C9	C8	C7	119.9°	120.2°
C9	C8	H4	120.1°	119.9°
C9	C10	C11	121.8°	120.1°
C9	C10	H5	119.1°	120.0°
C8	C7	C6	120.6°	119.9°
C8	C7	H3	119.7°	120.1°
C7	C8	H4	120.0°	119.9°
C10	C11	C6	119.8°	119.9°
C11	C10	H5	119.1°	120.0°
C10	C11	H6	120.1°	120.0°
C7	C6	C11	119.2°	119.8°
C7	C6	C4	122.7°	120.1°
C6	C7	H3	119.7°	120.1°
C11	C6	C4	118.1°	120.1°
C6	C11	H6	120.1°	120.0°
C6	C4	C5	128.0°	126.2°
C6	C4	N3	125.8°	126.2°
C5	C4	N3	106.2°	107.7°
C4	C5	N1	106.5°	106.7°
C4	C5	H2	126.7°	126.6°
C4	N3	C2	109.4°	109.2°
C5	N1	C2	109.0°	107.4°
N1	C5	H2	126.7°	126.7°
C5	N1	H7	125.5°	126.3°
N3	C2	N1	108.9°	109.0°
N3	C2	H1	125.6°	125.5°
N1	C2	H1	125.6°	125.5°
C2	N1	H7	125.5°	126.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR	C9	C8	C10	179.1°	180.0°
BR	C9	C8	C7	180.0°	180.0°
BR	C9	C10	C11	179.8°	179.7°
BR	C9	C8	H4	0.0°	0.0°
BR	C9	C10	H5	0.2°	0.0°
C9	C8	C7	H4	180.0°	180.0°
C8	C9	C10	C11	1.0°	0.2°
C9	C8	C7	C6	0.1°	0.0°
C9	C8	C7	H3	179.8°	180.0°
C8	C9	C10	H5	179.0°	180.0°
C10	C9	C8	C7	0.9°	0.0°
C9	C10	C11	H5	180.0°	179.8°
C9	C10	C11	C6	0.3°	0.5°
C10	C9	C8	H4	179.1°	180.0°
C9	C10	C11	H6	179.7°	180.0°
C8	C7	C6	H3	180.0°	180.0°
C8	C7	C6	C11	0.6°	0.2°
C8	C7	C6	C4	178.6°	180.0°
C10	C11	C6	C7	0.5°	0.5°
C10	C11	C6	H6	180.0°	179.5°
C10	C11	C6	C4	178.6°	179.7°
C7	C6	C11	C4	178.1°	179.8°
C7	C6	C4	C5	8.7°	179.9°
C7	C6	C4	N3	173.6°	0.0°
C6	C7	C8	H4	179.9°	180.0°
C7	C6	C11	H6	179.5°	180.0°
C11	C6	C4	C5	169.3°	0.3°
C11	C6	C4	N3	8.3°	179.8°
C11	C6	C7	H3	179.4°	179.7°
C6	C11	C10	H5	179.7°	179.7°
C6	C4	C5	N3	178.0°	179.9°
C6	C4	C5	N1	179.1°	180.0°
C6	C4	N3	C2	179.4°	179.8°
C6	C4	C5	H2	0.9°	0.3°
C4	C6	C7	H3	1.4°	0.0°
C4	C6	C11	H6	1.4°	0.3°
C4	C5	N1	H2	180.0°	179.8°
C5	C4	N3	C2	1.4°	0.1°
C4	C5	N1	C2	0.4°	0.2°
C4	C5	N1	H7	179.6°	180.0°
N3	C4	C5	N1	1.0°	0.1°
C4	N3	C2	N1	1.2°	0.3°
C4	N3	C2	H1	178.8°	180.0°
N3	C4	C5	H2	179.0°	179.8°
C5	N1	C2	N3	0.5°	0.3°
C5	N1	C2	H7	180.0°	179.8°
C5	N1	C2	H1	179.5°	180.0°
N3	C2	N1	H1	180.0°	179.7°
N3	C2	N1	H7	179.5°	179.9°
C2	N1	C5	H2	179.6°	180.0°
H1	C2	N1	H7	0.5°	0.2°
H2	C5	N1	H7	0.4°	0.2°
H3	C7	C8	H4	0.1°	0.0°
H5	C10	C11	H6	0.3°	0.2°

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PDB entries from 2026-01-14

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