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Summary Geometry Related PDB entries

P18

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.22Å
C	C1	sing	1.51Å	1.51Å
C	C3	sing	1.47Å	1.49Å
C1	C2	sing	1.53Å	1.52Å
C2	OXT	sing	1.43Å	1.80Å
C3	C8	sing	1.40Å	1.39Å	Aromatic
C3	C4	doub	1.40Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å
C8	H8	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	119.5°	120.0°
O	C	C3	120.6°	120.0°
C1	C	C3	119.9°	120.0°
C	C1	C2	114.7°	109.4°
C	C1	H11C	108.1°	109.4°
C	C1	H12C	108.1°	109.5°
C	C3	C8	119.9°	120.2°
C	C3	C4	121.4°	120.2°
C1	C2	OXT	110.8°	109.5°
C2	C1	H11C	108.2°	109.4°
C2	C1	H12C	108.2°	109.5°
C1	C2	H21C	109.1°	109.4°
C1	C2	H22C	109.1°	109.5°
OXT	C2	H21C	109.1°	109.4°
OXT	C2	H22C	109.1°	109.5°
C2	OXT	HXT	109.5°	114.0°
C8	C3	C4	118.7°	119.7°
C3	C8	C7	120.5°	119.8°
C3	C8	H8	119.7°	120.1°
C3	C4	C5	120.4°	119.8°
C3	C4	H4	119.8°	120.1°
C8	C7	C6	120.3°	120.2°
C7	C8	H8	119.8°	120.1°
C8	C7	H7	119.9°	119.9°
C7	C6	C5	119.8°	120.3°
C6	C7	H7	119.8°	119.9°
C7	C6	H6	120.1°	119.8°
C4	C5	C6	120.3°	120.2°
C5	C4	H4	119.8°	120.1°
C4	C5	H5	119.8°	119.9°
C5	C6	H6	120.1°	119.8°
C6	C5	H5	119.8°	119.9°
H11C	C1	H12C	109.5°	109.5°
H21C	C2	H22C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C3	178.5°	179.8°
O	C	C1	C2	2.9°	0.1°
O	C	C3	C8	1.4°	0.1°
O	C	C3	C4	177.2°	179.7°
O	C	C1	H11C	117.8°	120.0°
O	C	C1	H12C	123.7°	120.0°
C	C1	C2	H11C	120.8°	119.9°
C	C1	C2	H12C	120.8°	120.0°
C	C1	C2	OXT	89.6°	180.0°
C1	C	C3	C8	179.9°	179.7°
C1	C	C3	C4	1.3°	0.5°
C	C1	H11C	H12C	117.6°	120.0°
C	C1	C2	H21C	150.3°	60.1°
C	C1	C2	H22C	30.7°	60.0°
C3	C	C1	C2	175.6°	179.7°
C	C3	C8	C4	178.7°	179.8°
C	C3	C8	C7	178.0°	180.0°
C	C3	C4	C5	177.8°	180.0°
C3	C	C1	H11C	63.6°	59.8°
C3	C	C1	H12C	54.8°	60.3°
C	C3	C8	H8	2.0°	0.0°
C	C3	C4	H4	2.2°	0.0°
C1	C2	OXT	H21C	120.2°	119.9°
C1	C2	OXT	H22C	120.2°	120.0°
C2	C1	H11C	H12C	117.6°	120.0°
C1	C2	H21C	H22C	119.4°	120.0°
C1	C2	OXT	HXT	180.0°	180.0°
OXT	C2	C1	H11C	31.2°	60.1°
OXT	C2	C1	H12C	149.7°	60.0°
OXT	C2	H21C	H22C	119.4°	120.0°
C3	C8	C7	H8	180.0°	180.0°
C3	C8	C7	C6	0.1°	0.0°
C8	C3	C4	C5	0.9°	0.2°
C8	C3	C4	H4	179.1°	179.8°
C3	C8	C7	H7	179.9°	180.0°
C4	C3	C8	C7	0.7°	0.2°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.5°	0.0°
C4	C3	C8	H8	179.3°	179.8°
C3	C4	C5	H5	179.5°	180.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	C5	0.2°	0.2°
C8	C7	C6	H6	179.7°	180.0°
C7	C6	C5	C4	0.1°	0.2°
C7	C6	C5	H6	180.0°	179.8°
C6	C7	C8	H8	179.9°	180.0°
C7	C6	C5	H5	179.9°	179.8°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.9°	180.0°
C6	C5	C4	H4	179.5°	180.0°
C5	C6	C7	H7	179.7°	179.7°
H11C	C1	C2	H21C	89.0°	180.0°
H11C	C1	C2	H22C	151.4°	59.9°
H12C	C1	C2	H21C	29.5°	59.9°
H12C	C1	C2	H22C	90.1°	180.0°
H21C	C2	OXT	HXT	59.8°	60.1°
H22C	C2	OXT	HXT	59.8°	60.0°
H8	C8	C7	H7	0.1°	0.0°
H4	C4	C5	H5	0.5°	0.0°
H7	C7	C6	H6	0.3°	0.1°
H6	C6	C5	H5	0.1°	0.0°

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PDB entries from 2026-02-04

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