Summary Geometry PCM/PTM Related PDB entries

OHO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.31Å
N	C1	sing	1.46Å	1.46Å
N	HN	sing	0.97Å	1.02Å
C	O	doub	1.22Å	1.19Å
C	OXT	sing	1.35Å	1.52Å
OXT	HXT	sing	0.97Å	0.95Å
C1	C2	sing	1.53Å	1.52Å
C1	C6	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.51Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	120.2°	120.0°
C	N	HN	114.5°	120.0°
N	C	O	128.5°	120.0°
N	C	OXT	121.7°	120.1°
C1	N	HN	125.3°	120.0°
N	C1	C2	117.5°	109.5°
N	C1	C6	115.1°	109.5°
N	C1	H1	99.8°	109.5°
O	C	OXT	108.6°	119.9°
C	OXT	HXT	121.7°	120.0°
C2	C1	C6	113.1°	109.5°
C2	C1	H1	102.6°	109.4°
C1	C2	C3	110.8°	109.5°
C1	C2	H21	111.7°	109.5°
C1	C2	H22	111.7°	109.4°
C6	C1	H1	106.0°	109.5°
C1	C6	C5	110.1°	109.5°
C1	C6	H61	112.0°	109.4°
C1	C6	H62	112.0°	109.5°
C3	C2	H21	111.7°	109.5°
C3	C2	H22	111.7°	109.4°
C2	C3	C4	111.8°	109.5°
C2	C3	H31	111.4°	109.5°
C2	C3	H32	111.4°	109.5°
H21	C2	H22	98.7°	109.4°
C4	C3	H31	111.3°	109.4°
C4	C3	H32	111.3°	109.5°
C3	C4	C5	109.9°	109.4°
C3	C4	H41	112.1°	109.5°
C3	C4	H42	112.1°	109.5°
H31	C3	H32	99.0°	109.4°
C5	C4	H41	112.0°	109.5°
C5	C4	H42	112.0°	109.5°
C4	C5	C6	110.7°	109.5°
C4	C5	H51	111.8°	109.5°
C4	C5	H52	111.8°	109.5°
H41	C4	H42	98.4°	109.4°
C6	C5	H51	111.8°	109.4°
C6	C5	H52	111.8°	109.4°
C5	C6	H61	111.9°	109.5°
C5	C6	H62	111.9°	109.5°
H51	C5	H52	98.6°	109.4°
H61	C6	H62	98.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	HN	180.0°	179.9°
N	C	O	OXT	167.5°	179.9°
N	C	OXT	HXT	180.0°	180.0°
C	N	C1	C2	94.9°	149.9°
C	N	C1	C6	127.9°	90.0°
C	N	C1	H1	15.0°	30.0°
C1	N	C	O	11.5°	0.1°
C1	N	C	OXT	177.5°	180.0°
N	C1	C2	C6	138.0°	120.1°
N	C1	C2	H1	108.3°	119.9°
N	C1	C6	H1	109.3°	120.0°
N	C1	C2	C3	85.2°	180.0°
N	C1	C2	H21	149.5°	59.9°
N	C1	C2	H22	40.0°	60.0°
N	C1	C6	C5	83.8°	180.0°
N	C1	C6	H61	41.4°	60.0°
N	C1	C6	H62	150.9°	59.9°
HN	N	C	O	168.5°	180.0°
HN	N	C	OXT	2.5°	0.1°
HN	N	C1	C2	85.1°	30.0°
HN	N	C1	C6	52.1°	90.1°
HN	N	C1	H1	165.0°	149.9°
O	C	OXT	HXT	11.5°	0.1°
C2	C1	C6	H1	111.7°	119.9°
C1	C2	C3	H21	125.2°	120.1°
C1	C2	C3	H22	125.2°	119.9°
C1	C2	H21	H22	117.6°	120.0°
C1	C2	C3	C4	53.0°	59.9°
C1	C2	C3	H31	178.3°	60.1°
C1	C2	C3	H32	72.2°	180.0°
C2	C1	C6	C5	55.2°	59.9°
C2	C1	C6	H61	179.5°	60.1°
C2	C1	C6	H62	70.0°	180.0°
C6	C1	C2	C3	52.8°	59.9°
C6	C1	C2	H21	72.5°	180.0°
C6	C1	C2	H22	178.0°	60.1°
C1	C6	C5	C4	58.1°	60.0°
C1	C6	C5	H61	125.3°	120.0°
C1	C6	C5	H62	125.3°	120.1°
C1	C6	C5	H51	176.6°	60.1°
C1	C6	C5	H52	67.2°	180.0°
C1	C6	H61	H62	118.0°	119.9°
H1	C1	C2	C3	166.5°	60.1°
H1	C1	C2	H21	41.2°	60.0°
H1	C1	C2	H22	68.3°	180.0°
H1	C1	C6	C5	166.9°	60.0°
H1	C1	C6	H61	67.9°	180.0°
H1	C1	C6	H62	41.7°	60.1°
C3	C2	H21	H22	117.7°	120.0°
C2	C3	C4	H31	125.3°	120.0°
C2	C3	C4	H32	125.2°	120.1°
C2	C3	H31	H32	117.3°	120.0°
C2	C3	C4	C5	56.6°	60.0°
C2	C3	C4	H41	68.6°	180.0°
C2	C3	C4	H42	178.1°	60.0°
H21	C2	C3	C4	72.2°	180.0°
H21	C2	C3	H31	53.0°	60.0°
H21	C2	C3	H32	162.6°	59.9°
H22	C2	C3	C4	178.2°	60.0°
H22	C2	C3	H31	56.5°	180.0°
H22	C2	C3	H32	53.0°	60.0°
C4	C3	H31	H32	117.2°	119.9°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	120.0°
C3	C4	H41	H42	118.0°	120.0°
C3	C4	C5	C6	59.0°	60.0°
C3	C4	C5	H51	175.7°	60.0°
C3	C4	C5	H52	66.3°	180.0°
H31	C3	C4	C5	178.1°	60.1°
H31	C3	C4	H41	56.7°	60.0°
H31	C3	C4	H42	52.9°	180.0°
H32	C3	C4	C5	68.6°	179.9°
H32	C3	C4	H41	166.2°	59.9°
H32	C3	C4	H42	56.6°	60.1°
C5	C4	H41	H42	117.9°	120.0°
C4	C5	C6	H51	125.3°	120.1°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	117.6°	120.0°
C4	C5	C6	H61	176.6°	60.0°
C4	C5	C6	H62	67.2°	180.0°
H41	C4	C5	C6	66.3°	180.0°
H41	C4	C5	H51	59.0°	60.0°
H41	C4	C5	H52	168.4°	60.0°
H42	C4	C5	C6	175.7°	60.0°
H42	C4	C5	H51	50.4°	180.0°
H42	C4	C5	H52	59.0°	60.0°
C6	C5	H51	H52	117.6°	119.9°
C5	C6	H61	H62	117.8°	120.0°
H51	C5	C6	H61	51.3°	180.0°
H51	C5	C6	H62	58.1°	60.0°
H52	C5	C6	H61	58.1°	60.0°
H52	C5	C6	H62	167.5°	59.9°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1A46