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Summary Geometry Related PDB entries

R8P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C1	sing	1.43Å	1.42Å
O	N	doub	1.22Å	1.22Å
O1	N	sing	1.22Å	1.24Å
N	C5	sing	1.48Å	1.47Å
C6	C7	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C7	C2	sing	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.51Å	1.52Å
C1	C	sing	1.53Å	1.49Å
C5	C4	doub	1.38Å	1.37Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
O2	H6	sing	0.97Å	0.95Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	C2	108.0°	109.5°
O2	C1	C	107.9°	109.5°
O2	C1	H5	108.9°	109.5°
C1	O2	H6	109.5°	114.0°
O	N	O1	123.2°	120.0°
O	N	C5	117.2°	120.0°
O1	N	C5	118.3°	120.0°
N	C5	C6	118.7°	120.0°
N	C5	C4	118.9°	120.0°
C7	C6	C5	118.7°	120.0°
C6	C7	C2	121.1°	120.0°
C7	C6	H2	120.6°	120.0°
C6	C7	H3	119.5°	120.0°
C6	C5	C4	121.8°	120.0°
C5	C6	H2	120.6°	120.0°
C7	C2	C1	121.6°	120.0°
C7	C2	C3	118.4°	120.0°
C2	C7	H3	119.4°	120.0°
C2	C1	C	116.4°	109.5°
C1	C2	C3	119.7°	120.0°
C2	C1	H5	107.6°	109.5°
C	C1	H5	108.0°	109.5°
C1	C	H7	109.5°	109.4°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.5°	109.5°
C5	C4	C3	118.5°	120.0°
C5	C4	H1	120.7°	120.0°
C2	C3	C4	121.4°	120.0°
C2	C3	H4	119.3°	120.0°
C3	C4	H1	120.7°	120.0°
C4	C3	H4	119.3°	120.0°
H7	C	H8	109.5°	109.5°
H7	C	H9	109.4°	109.4°
H8	C	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	C2	C7	49.7°	145.0°
O2	C1	C2	C	121.4°	120.0°
O2	C1	C2	H5	117.4°	120.0°
O2	C1	C	H5	117.6°	120.0°
O2	C1	C2	C3	123.3°	35.1°
O2	C1	C	H7	180.0°	180.0°
O2	C1	C	H8	60.0°	60.0°
O2	C1	C	H9	60.0°	60.1°
O	N	O1	C5	166.5°	179.9°
O	N	C5	C6	14.0°	0.0°
O	N	C5	C4	174.5°	179.9°
O1	N	C5	C6	153.2°	180.0°
O1	N	C5	C4	18.2°	0.0°
N	C5	C6	C7	169.2°	180.0°
N	C5	C6	C4	171.2°	180.0°
N	C5	C4	C3	169.2°	180.0°
N	C5	C4	H1	10.8°	0.2°
N	C5	C6	H2	10.8°	0.0°
C7	C6	C5	H2	180.0°	180.0°
C6	C7	C2	H3	180.0°	180.0°
C6	C7	C2	C1	169.8°	180.0°
C7	C6	C5	C4	2.0°	0.0°
C6	C7	C2	C3	3.2°	0.1°
C5	C6	C7	C2	0.6°	0.0°
C6	C5	C4	C3	2.0°	0.0°
C6	C5	C4	H1	178.0°	179.8°
C5	C6	C7	H3	179.4°	180.0°
C7	C2	C1	C3	172.9°	179.9°
C7	C2	C1	C	71.7°	95.0°
C7	C2	C3	C4	3.2°	0.1°
C2	C7	C6	H2	179.4°	179.9°
C7	C2	C3	H4	176.7°	179.8°
C7	C2	C1	H5	167.1°	25.0°
C2	C1	C	H5	121.0°	120.0°
C1	C2	C3	C4	169.9°	180.0°
C1	C2	C7	H3	10.2°	0.1°
C1	C2	C3	H4	10.1°	0.3°
C2	C1	O2	H6	180.0°	60.0°
C2	C1	C	H7	58.6°	60.0°
C2	C1	C	H8	178.6°	180.0°
C2	C1	C	H9	61.4°	59.9°
C	C1	C2	C3	115.4°	84.9°
C	C1	O2	H6	53.5°	60.0°
C1	C	H7	H8	120.0°	120.0°
C1	C	H7	H9	120.0°	119.9°
C1	C	H8	H9	120.0°	120.0°
C5	C4	C3	C2	0.7°	0.0°
C5	C4	C3	H1	180.0°	179.8°
C4	C5	C6	H2	177.9°	180.0°
C5	C4	C3	H4	179.3°	179.8°
C2	C3	C4	H4	180.0°	179.7°
C2	C3	C4	H1	179.3°	179.7°
C3	C2	C7	H3	176.8°	180.0°
C3	C2	C1	H5	5.9°	155.1°
H1	C4	C3	H4	0.7°	0.0°
H2	C6	C7	H3	0.6°	0.0°
H5	C1	O2	H6	63.5°	180.0°
H5	C1	C	H7	62.4°	60.0°
H5	C1	C	H8	57.6°	60.0°
H5	C1	C	H9	177.6°	179.9°
H7	C	H8	H9	120.0°	120.0°

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PDB entries from 2024-07-17

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