Summary Geometry PCM/PTM Related PDB entries

HF3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OB3	HFB	sing	2.53Å	2.60Å
OB3	HB31	sing	0.87Å	0.95Å
OB1	HFB	sing	2.55Å	2.50Å
OB1	HB11	sing	0.87Å	0.95Å
OB2	HFB	sing	2.53Å	2.35Å
OB2	HB21	sing	0.87Å	0.95Å
HFA	O00	sing	2.15Å	2.13Å
HFA	OAB	sing	2.55Å	2.43Å
HFA	OAC	sing	2.56Å	2.43Å
HFA	OA2	sing	2.53Å	2.42Å
HFA	OA1	sing	2.53Å	2.61Å
HFA	O1	sing	2.62Å	2.23Å
O00	HFB	sing	2.22Å	2.14Å
O00	HFC	sing	2.21Å	2.13Å
OAB	HFB	sing	2.53Å	2.45Å
OAC	HFC	sing	2.53Å	2.44Å
OA2	HA21	sing	0.87Å	0.95Å
OA1	HA11	sing	0.87Å	0.95Å
HFB	OBC	sing	2.51Å	2.32Å
HFB	O2	sing	2.92Å	2.23Å
OBC	HFC	sing	2.58Å	2.57Å
HFC	OC1	sing	2.53Å	2.61Å
HFC	OC2	sing	2.53Å	2.63Å
HFC	O3	sing	2.56Å	2.23Å
OC1	HC11	sing	0.87Å	0.95Å
OC2	HC21	sing	0.87Å	0.95Å
P	O1	sing	1.55Å	1.64Å
P	O2	sing	1.55Å	1.62Å
P	O3	sing	1.54Å	1.61Å
P	O4	doub	1.54Å	1.49Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
HFB	OB3	HB31	109.5°	109.4°
OB3	HFB	OB1	90.9°	81.6°
OB3	HFB	OB2	89.6°	73.2°
OB3	HFB	O00	133.7°	143.6°
OB3	HFB	OAB	155.4°	145.0°
OB3	HFB	OBC	56.7°	70.5°
OB3	HFB	O2	93.2°	98.4°
HFB	OB1	HB11	109.5°	109.3°
OB1	HFB	OB2	96.7°	73.8°
OB1	HFB	O00	98.2°	109.0°
OB1	HFB	OAB	97.6°	87.4°
OB1	HFB	OBC	93.1°	99.2°
OB1	HFB	O2	175.6°	33.3°
HFB	OB2	HB21	109.5°	109.4°
OB2	HFB	O00	133.5°	142.9°
OB2	HFB	OAB	66.5°	71.8°
OB2	HFB	OBC	145.1°	143.7°
OB2	HFB	O2	85.2°	106.1°
O00	HFA	OAB	68.7°	72.0°
O00	HFA	OAC	71.8°	72.1°
O00	HFA	OA2	133.5°	144.0°
O00	HFA	OA1	131.1°	143.9°
O00	HFA	O1	85.5°	87.6°
HFA	O00	HFB	121.9°	118.2°
HFA	O00	HFC	118.5°	116.3°
OAB	HFA	OAC	139.3°	143.6°
OAB	HFA	OA2	146.4°	144.0°
OAB	HFA	OA1	63.0°	72.1°
OAB	HFA	O1	88.2°	92.4°
HFA	OAB	HFB	100.0°	95.1°
OAC	HFA	OA2	64.6°	72.1°
OAC	HFA	OA1	152.2°	144.1°
OAC	HFA	O1	79.5°	91.6°
HFA	OAC	HFC	97.6°	93.2°
OA2	HFA	OA1	88.4°	72.0°
OA2	HFA	O1	71.9°	90.0°
HFA	OA2	HA21	109.5°	109.5°
OA1	HFA	O1	86.4°	90.0°
HFA	OA1	HA11	109.5°	109.5°
HFA	O1	P	119.7°	121.4°
HFB	O00	HFC	114.8°	117.1°
O00	HFB	OAB	68.0°	71.4°
O00	HFB	OBC	77.4°	73.4°
O00	HFB	O2	77.7°	78.4°
O00	HFC	OAC	71.7°	71.8°
O00	HFC	OBC	72.3°	72.1°
O00	HFC	OC1	139.8°	144.1°
O00	HFC	OC2	123.0°	143.9°
O00	HFC	O3	82.1°	89.1°
OAB	HFB	OBC	144.9°	144.4°
OAB	HFB	O2	79.4°	89.9°
OAC	HFC	OBC	142.3°	143.9°
OAC	HFC	OC1	139.8°	144.0°
OAC	HFC	OC2	51.3°	72.1°
OAC	HFC	O3	77.3°	88.1°
OBC	HFB	O2	87.7°	78.1°
HFB	OBC	HFC	94.7°	95.7°
HFB	O2	P	130.5°	123.5°
OBC	HFC	OC1	69.8°	72.0°
OBC	HFC	OC2	161.1°	143.9°
OBC	HFC	O3	87.0°	92.8°
OC1	HFC	OC2	92.4°	72.0°
OC1	HFC	O3	83.2°	90.0°
HFC	OC1	HC11	109.5°	109.5°
OC2	HFC	O3	84.6°	90.0°
HFC	OC2	HC21	109.5°	109.5°
HFC	O3	P	124.6°	120.9°
O1	P	O2	109.2°	111.1°
O1	P	O3	109.8°	111.5°
O1	P	O4	109.7°	107.6°
O2	P	O3	109.0°	111.2°
O2	P	O4	109.7°	107.6°
O3	P	O4	109.4°	107.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OB3	HFB	OB1	OB2	89.7°	74.9°
OB3	HFB	OB1	O00	134.5°	144.0°
OB3	HFB	OB1	OAB	156.8°	146.7°
OB3	HFB	OB1	OBC	56.7°	68.5°
OB3	HFB	OB1	O2	156.3°	119.6°
OB3	HFB	OB1	HB11	180.0°	69.6°
OB3	HFB	OB2	O00	161.2°	173.9°
OB3	HFB	OB2	OAB	173.8°	178.5°
OB3	HFB	OB2	OBC	14.3°	2.4°
OB3	HFB	OB2	O2	93.2°	94.1°
OB3	HFB	OB2	HB21	180.0°	168.0°
OB3	HFB	O00	HFA	155.2°	165.9°
OB3	HFB	OAB	HFA	147.0°	170.2°
OB3	HFB	O00	OAB	166.0°	177.7°
OB3	HFB	O00	OBC	7.8°	7.6°
OB3	HFB	O00	O2	82.5°	88.5°
OB3	HFB	O00	HFC	0.1°	19.0°
OB3	HFB	OAB	OBC	144.6°	173.5°
OB3	HFB	OAB	O2	74.3°	104.5°
OB3	HFB	OBC	O2	95.4°	103.5°
OB3	HFB	OBC	HFC	167.2°	176.0°
OB3	HFB	O2	P	126.6°	150.2°
HB31	OB3	HFB	OB1	180.0°	90.3°
HB31	OB3	HFB	OB2	83.4°	165.8°
HB31	OB3	HFB	O00	77.7°	20.4°
HB31	OB3	HFB	OAB	69.7°	163.3°
HB31	OB3	HFB	OBC	86.9°	12.7°
HB31	OB3	HFB	O2	1.7°	61.5°
OB1	HFB	OB2	O00	108.0°	100.3°
OB1	HFB	OB2	OAB	95.4°	92.6°
OB1	HFB	OB2	OBC	105.2°	83.5°
OB1	HFB	OB2	O2	175.9°	8.2°
OB1	HFB	OB2	HB21	89.2°	82.1°
OB1	HFB	O00	HFA	105.6°	64.1°
OB1	HFB	OAB	HFA	104.0°	99.0°
OB1	HFB	O00	OAB	94.9°	80.4°
OB1	HFB	O00	OBC	91.3°	94.3°
OB1	HFB	O00	O2	178.3°	13.4°
OB1	HFB	O00	HFC	99.3°	82.8°
OB1	HFB	OAB	OBC	106.4°	102.2°
OB1	HFB	OAB	O2	176.7°	33.2°
OB1	HFB	OBC	O2	175.6°	25.9°
OB1	HFB	OBC	HFC	103.8°	98.5°
OB1	HFB	O2	P	29.6°	149.4°
HB11	OB1	HFB	OB2	90.3°	5.3°
HB11	OB1	HFB	O00	45.5°	146.4°
HB11	OB1	HFB	OAB	23.2°	77.1°
HB11	OB1	HFB	OBC	123.3°	138.1°
HB11	OB1	HFB	O2	23.7°	170.8°
OB2	HFB	O00	HFA	1.8°	24.0°
OB2	HFB	OAB	HFA	162.0°	172.8°
OB2	HFB	O00	OAB	12.5°	7.7°
OB2	HFB	O00	OBC	161.3°	177.7°
OB2	HFB	O00	O2	70.9°	101.4°
OB2	HFB	O00	HFC	153.3°	170.9°
OB2	HFB	OAB	OBC	159.6°	176.0°
OB2	HFB	OAB	O2	89.3°	107.0°
OB2	HFB	OBC	O2	78.1°	101.0°
OB2	HFB	OBC	HFC	150.0°	173.6°
OB2	HFB	O2	P	144.0°	134.9°
HB21	OB2	HFB	O00	18.9°	18.1°
HB21	OB2	HFB	OAB	6.2°	10.5°
HB21	OB2	HFB	OBC	165.7°	165.6°
HB21	OB2	HFB	O2	86.8°	73.9°
O00	HFA	OAB	OAC	14.3°	9.2°
O00	HFA	OAB	OA2	138.4°	180.0°
O00	HFA	OAB	OA1	172.8°	176.0°
O00	HFA	OAB	O1	85.9°	86.7°
O00	HFA	OAC	OA2	163.5°	176.5°
O00	HFA	OAC	OA1	149.6°	179.2°
O00	HFA	OAC	O1	88.7°	87.0°
O00	HFA	OA2	OA1	151.7°	176.0°
O00	HFA	OA2	O1	64.9°	85.9°
O00	HFA	OA1	O1	80.9°	86.0°
HFA	O00	HFB	HFC	155.1°	146.9°
O00	HFA	OAB	HFB	8.1°	12.4°
O00	HFA	OAC	HFC	4.0°	17.4°
O00	HFA	OA2	HA21	180.0°	34.0°
O00	HFA	OA1	HA11	180.0°	170.6°
HFA	O00	HFB	OBC	163.1°	158.3°
HFA	O00	HFB	O2	72.7°	77.5°
HFA	O00	HFC	OBC	163.4°	158.8°
HFA	O00	HFC	OC1	143.6°	154.3°
HFA	O00	HFC	OC2	4.2°	23.2°
HFA	O00	HFC	O3	74.0°	65.6°
O00	HFA	O1	P	1.5°	6.3°
OAB	HFA	OAC	OA2	149.5°	174.4°
OAB	HFA	OAC	OA1	135.6°	171.6°
OAB	HFA	OAC	O1	74.7°	96.2°
OAB	HFA	OA2	OA1	30.2°	4.0°
OAB	HFA	OA2	O1	56.5°	94.0°
OAB	HFA	OA1	O1	89.8°	92.5°
OAB	HFA	O00	HFC	165.0°	163.3°
OAB	HFA	OAC	HFC	10.0°	26.6°
OAB	HFA	OA2	HA21	58.5°	146.1°
OAB	HFA	OA1	HA11	171.1°	177.1°
HFA	OAB	HFB	OBC	2.4°	3.3°
HFA	OAB	HFB	O2	72.7°	65.7°
OAB	HFA	O1	P	67.2°	78.2°
OAC	HFA	OA2	OA1	173.6°	178.3°
OAC	HFA	OA2	O1	86.8°	91.7°
OAC	HFA	OA1	O1	59.4°	92.7°
OAC	HFA	O00	HFB	159.4°	169.6°
OAC	HFA	OAB	HFB	6.2°	21.6°
OAC	HFA	OA2	HA21	158.2°	28.2°
OAC	HFA	OA1	HA11	39.7°	8.1°
HFA	OAC	HFC	OBC	13.9°	19.4°
HFA	OAC	HFC	OC1	144.8°	160.2°
HFA	OAC	HFC	OC2	174.9°	163.4°
HFA	OAC	HFC	O3	81.7°	72.7°
OAC	HFA	O1	P	73.8°	65.6°
OA2	HFA	OA1	O1	72.0°	90.0°
OA2	HFA	O00	HFB	138.7°	163.8°
OA2	HFA	O00	HFC	15.5°	16.7°
OA2	HFA	OAB	HFB	130.3°	167.5°
OA2	HFA	OAC	HFC	159.5°	159.0°
OA2	HFA	OA1	HA11	27.1°	5.3°
OA2	HFA	O1	P	140.3°	137.8°
OA1	HFA	O00	HFB	2.3°	9.6°
OA1	HFA	O00	HFC	156.6°	156.8°
OA1	HFA	OAB	HFB	164.7°	163.6°
OA1	HFA	OAC	HFC	145.6°	161.8°
OA1	HFA	OA2	HA21	28.3°	150.0°
OA1	HFA	O1	P	130.3°	150.3°
O1	HFA	O00	HFB	79.0°	77.2°
O1	HFA	O00	HFC	75.3°	70.0°
O1	HFA	OAB	HFB	77.8°	74.3°
O1	HFA	OAC	HFC	84.7°	69.6°
O1	HFA	OA2	HA21	115.1°	119.9°
O1	HFA	OA1	HA11	99.1°	84.6°
HFA	O1	P	O2	56.1°	65.1°
HFA	O1	P	O3	63.4°	59.6°
HFA	O1	P	O4	176.3°	177.4°
O00	HFB	OAB	OBC	10.5°	8.8°
O00	HFB	OAB	O2	80.8°	77.8°
HFB	O00	HFC	OAC	161.2°	170.3°
O00	HFB	OBC	O2	77.9°	81.3°
HFB	O00	HFC	OBC	7.4°	11.2°
HFB	O00	HFC	OC1	12.5°	6.8°
HFB	O00	HFC	OC2	160.3°	170.8°
HFB	O00	HFC	O3	82.0°	82.0°
O00	HFB	O2	P	7.5°	7.1°
HFC	O00	HFB	OAB	165.9°	163.2°
O00	HFC	OAC	OBC	17.9°	2.5°
O00	HFC	OAC	OC1	148.8°	177.1°
O00	HFC	OAC	OC2	179.0°	179.7°
O00	HFC	OAC	O3	85.8°	89.7°
HFC	O00	HFB	O2	82.4°	69.4°
O00	HFC	OBC	OC1	166.5°	177.3°
O00	HFC	OBC	OC2	146.4°	178.0°
O00	HFC	OBC	O3	82.7°	88.1°
O00	HFC	OC1	OC2	153.4°	178.5°
O00	HFC	OC1	O3	69.2°	88.5°
O00	HFC	OC2	O3	76.9°	88.5°
O00	HFC	OC1	HC11	180.0°	173.5°
O00	HFC	OC2	HC21	180.0°	14.9°
O00	HFC	O3	P	2.2°	8.8°
OAB	HFB	OBC	O2	67.9°	72.6°
OAB	HFB	OBC	HFC	4.0°	0.0°
OAB	HFB	O2	P	77.1°	63.9°
OAC	HFC	OBC	HFB	11.7°	11.3°
OAC	HFC	OBC	OC1	148.6°	179.7°
OAC	HFC	OBC	OC2	128.5°	175.5°
OAC	HFC	OBC	O3	64.8°	90.6°
OAC	HFC	OC1	OC2	23.1°	3.2°
OAC	HFC	OC1	O3	61.1°	86.8°
OAC	HFC	OC2	O3	78.1°	88.0°
OAC	HFC	OC1	HC11	49.7°	1.8°
OAC	HFC	OC2	HC21	178.8°	14.4°
OAC	HFC	O3	P	75.2°	80.6°
HFB	OBC	HFC	OC1	160.3°	168.4°
HFB	OBC	HFC	OC2	140.2°	173.2°
HFB	OBC	HFC	O3	76.5°	79.3°
OBC	HFB	O2	P	70.1°	82.3°
O2	HFB	OBC	HFC	71.9°	72.6°
HFB	O2	P	O1	67.7°	56.9°
HFB	O2	P	O3	52.2°	68.0°
HFB	O2	P	O4	172.0°	174.4°
OBC	HFC	OC1	OC2	173.6°	177.1°
OBC	HFC	OC1	O3	89.3°	92.9°
OBC	HFC	OC2	O3	64.1°	94.8°
OBC	HFC	OC1	HC11	159.8°	177.9°
OBC	HFC	OC2	HC21	39.0°	168.3°
OBC	HFC	O3	P	70.3°	63.3°
OC1	HFC	OC2	O3	82.9°	90.0°
OC1	HFC	OC2	HC21	20.1°	163.6°
OC1	HFC	O3	P	140.3°	135.3°
OC2	HFC	OC1	HC11	26.6°	5.0°
OC2	HFC	O3	P	126.7°	152.7°
O3	HFC	OC1	HC11	110.8°	85.0°
O3	HFC	OC2	HC21	103.1°	73.6°
HFC	O3	P	O1	66.0°	68.8°
HFC	O3	P	O2	53.6°	55.8°
HFC	O3	P	O4	173.6°	173.4°
O1	P	O2	O3	119.9°	124.9°
O1	P	O2	O4	120.2°	117.5°
O1	P	O3	O4	120.4°	117.8°
O2	P	O3	O4	120.0°	117.6°

Definition date:	2002-11-12
Last modified:	2026-07-31
Release status:	REL
Processing site:	EBI
Derived from:	1O7T