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Summary Geometry Related PDB entries

UP8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.39Å	1.39Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	C10	doub	1.40Å	1.43Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.48Å	1.52Å
C6	C10	sing	1.41Å	1.40Å	Aromatic
C7	O8	doub	1.21Å	1.25Å
C7	O9	sing	1.35Å	1.26Å
C10	C11	sing	1.47Å	1.52Å
C11	O12	sing	1.35Å	1.26Å
C11	O13	doub	1.22Å	1.25Å
N1	H11N	sing	0.97Å	1.00Å
N1	H12N	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
O9	H9	sing	0.97Å	0.95Å
O12	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	C3	119.5°	120.1°
N1	C2	C10	121.9°	120.1°
C2	N1	H11N	109.5°	120.0°
C2	N1	H12N	109.5°	120.0°
C3	C2	C10	118.6°	119.8°
C2	C3	C4	120.8°	120.3°
C2	C3	H3	119.6°	119.9°
C2	C10	C6	119.9°	119.4°
C2	C10	C11	119.8°	120.3°
C3	C4	C5	120.5°	120.6°
C4	C3	H3	119.6°	119.8°
C3	C4	H4	119.7°	119.7°
C4	C5	C6	120.9°	120.2°
C5	C4	H4	119.8°	119.8°
C4	C5	H5	119.5°	119.9°
C5	C6	C7	116.6°	120.1°
C5	C6	C10	119.3°	119.7°
C6	C5	H5	119.6°	119.9°
C7	C6	C10	124.2°	120.2°
C6	C7	O8	117.1°	120.0°
C6	C7	O9	118.5°	120.0°
C6	C10	C11	120.3°	120.3°
O8	C7	O9	124.4°	120.0°
C7	O9	H9	109.5°	117.1°
C10	C11	O12	117.7°	120.0°
C10	C11	O13	117.8°	120.0°
O12	C11	O13	124.5°	119.9°
C11	O12	H12	109.5°	117.0°
H11N	N1	H12N	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	C10	179.9°	179.7°
N1	C2	C3	C4	179.8°	180.0°
N1	C2	C10	C6	179.9°	179.8°
N1	C2	C10	C11	0.1°	0.0°
C2	N1	H11N	H12N	120.0°	179.7°
N1	C2	C3	H3	0.2°	0.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.3°	0.1°
C3	C2	C10	C6	0.0°	0.5°
C3	C2	C10	C11	179.9°	179.7°
C3	C2	N1	H11N	180.0°	0.0°
C3	C2	N1	H12N	60.0°	179.7°
C2	C3	C4	H4	179.8°	180.0°
C10	C2	C3	C4	0.3°	0.3°
C2	C10	C6	C5	0.3°	0.5°
C2	C10	C6	C7	179.1°	179.7°
C2	C10	C6	C11	180.0°	179.8°
C2	C10	C11	O12	40.5°	90.0°
C2	C10	C11	O13	139.5°	90.0°
C10	C2	N1	H11N	0.1°	179.7°
C10	C2	N1	H12N	120.1°	0.6°
C10	C2	C3	H3	179.7°	179.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	H5	180.0°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	179.3°	179.9°
C4	C5	C6	C10	0.3°	0.3°
C5	C4	C3	H3	179.8°	180.0°
C5	C6	C7	C10	178.9°	179.8°
C5	C6	C7	O8	64.7°	180.0°
C5	C6	C7	O9	115.4°	0.0°
C5	C6	C10	C11	179.7°	179.7°
C6	C5	C4	H4	179.9°	180.0°
C6	C7	O8	O9	179.9°	180.0°
C7	C6	C10	C11	0.9°	0.1°
C7	C6	C5	H5	0.7°	0.0°
C6	C7	O9	H9	179.9°	180.0°
C10	C6	C7	O8	114.2°	0.2°
C10	C6	C7	O9	65.7°	179.7°
C6	C10	C11	O12	139.5°	90.2°
C6	C10	C11	O13	40.5°	89.8°
C10	C6	C5	H5	179.7°	179.8°
O8	C7	O9	H9	0.0°	0.0°
C10	C11	O12	O13	179.9°	180.0°
C10	C11	O12	H12	179.9°	180.0°
O13	C11	O12	H12	0.0°	0.0°
H3	C3	C4	H4	0.2°	0.1°
H4	C4	C5	H5	0.1°	0.1°

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