Summary Geometry PCM/PTM Related PDB entries

WMC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.53Å
C1	C16	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.51Å
C3	O2	sing	1.43Å	1.43Å
O2	C4	sing	1.36Å	1.36Å
C4	C5	sing	1.38Å	1.37Å	Aromatic
C4	C9	doub	1.41Å	1.40Å	Aromatic
C5	C6	doub	1.39Å	1.38Å	Aromatic
C6	O3	sing	1.36Å	1.37Å
C6	C7	sing	1.39Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C8	O4	sing	1.36Å	1.35Å
C8	C9	sing	1.40Å	1.41Å	Aromatic
C9	C10	sing	1.47Å	1.49Å
C10	O5	doub	1.22Å	1.21Å
C10	O6	sing	1.34Å	1.34Å
O6	C11	sing	1.45Å	1.46Å
C11	C12	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.54Å
C13	C14	sing	1.53Å	1.49Å
C14	C15	sing	1.51Å	1.50Å
C15	O7	doub	1.21Å	1.21Å
C15	C16	sing	1.51Å	1.53Å
C16	O8	sing	1.43Å	1.41Å
C5	H7	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C3	H5	sing	1.10Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H2	sing	1.10Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å
O3	H8	sing	0.97Å	0.95Å
O4	H10	sing	0.97Å	0.95Å
O8	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	105.6°	110.7°
O1	C1	C16	110.1°	109.9°
O1	C1	H2	110.8°	108.7°
C1	O1	H1	109.5°	114.0°
C2	C1	C16	111.3°	109.9°
C1	C2	C3	110.4°	111.1°
C1	C2	H3	109.2°	109.5°
C1	C2	H4	109.2°	109.3°
C2	C1	H2	109.5°	108.9°
C1	C16	C15	112.8°	109.6°
C1	C16	O8	107.2°	109.3°
C16	C1	H2	109.5°	108.8°
C1	C16	H17	107.6°	109.6°
C2	C3	O2	105.6°	109.7°
C2	C3	H5	110.5°	109.0°
C2	C3	H6	110.5°	111.1°
C3	C2	H3	109.3°	109.3°
C3	C2	H4	109.3°	109.0°
C3	O2	C4	120.5°	116.9°
O2	C3	H5	110.4°	108.7°
O2	C3	H6	110.4°	109.7°
O2	C4	C5	120.8°	120.0°
O2	C4	C9	119.3°	120.0°
C5	C4	C9	120.0°	120.0°
C4	C5	C6	120.1°	120.2°
C4	C5	H7	120.0°	119.9°
C4	C9	C8	118.4°	119.4°
C4	C9	C10	126.2°	119.7°
C5	C6	O3	119.0°	119.8°
C5	C6	C7	121.7°	120.3°
C6	C5	H7	119.9°	119.9°
O3	C6	C7	119.3°	119.8°
C6	O3	H8	109.5°	114.0°
C6	C7	C8	118.3°	120.3°
C6	C7	H9	120.8°	119.9°
C7	C8	O4	118.0°	119.6°
C7	C8	C9	121.5°	119.8°
C8	C7	H9	120.9°	119.8°
O4	C8	C9	120.4°	120.6°
C8	O4	H10	109.5°	114.0°
C8	C9	C10	115.4°	120.8°
C9	C10	O5	122.6°	119.4°
C9	C10	O6	113.1°	121.0°
O5	C10	O6	124.0°	119.7°
C10	O6	C11	116.9°	117.4°
O6	C11	C12	108.5°	110.0°
O6	C11	H11	109.7°	109.5°
O6	C11	H12	109.7°	109.5°
C11	C12	C13	114.4°	109.5°
C12	C11	H11	109.7°	109.5°
C12	C11	H12	109.7°	109.4°
C11	C12	H14	108.2°	109.7°
C11	C12	H13	108.2°	109.4°
C12	C13	C14	115.1°	109.6°
C13	C12	H14	108.2°	109.6°
C13	C12	H13	108.2°	109.3°
C12	C13	H15	108.0°	109.4°
C12	C13	H131	108.0°	109.6°
C13	C14	C15	114.2°	109.7°
C14	C13	H15	108.0°	109.4°
C14	C13	H131	108.0°	109.6°
C13	C14	H16	108.3°	109.6°
C13	C14	H141	108.3°	109.3°
C14	C15	O7	120.9°	119.8°
C14	C15	C16	119.1°	120.2°
C15	C14	H16	108.3°	109.5°
C15	C14	H141	108.3°	109.3°
O7	C15	C16	120.0°	120.0°
C15	C16	O8	112.4°	109.3°
C15	C16	H17	107.6°	109.6°
O8	C16	H17	109.1°	109.4°
C16	O8	H18	109.5°	114.0°
H5	C3	H6	109.5°	108.6°
H3	C2	H4	109.5°	108.5°
H11	C11	H12	109.5°	109.1°
H14	C12	H13	109.5°	109.2°
H15	C13	H131	109.5°	109.3°
H16	C14	H141	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C16	119.5°	121.5°
O1	C1	C2	H2	119.3°	119.5°
O1	C1	C16	H2	122.0°	118.9°
O1	C1	C2	C3	67.4°	31.4°
O1	C1	C16	C15	171.4°	44.5°
O1	C1	C16	O8	64.3°	164.3°
O1	C1	C2	H3	52.8°	89.4°
O1	C1	C2	H4	172.5°	151.8°
O1	C1	C16	H17	52.9°	75.8°
C2	C1	C16	H2	121.2°	119.1°
C1	C2	C3	H3	120.1°	121.0°
C1	C2	C3	H4	120.1°	120.5°
C1	C2	C3	O2	71.5°	88.9°
C2	C1	C16	C15	71.8°	166.5°
C2	C1	C16	O8	52.5°	73.7°
C1	C2	C3	H5	47.9°	152.2°
C1	C2	C3	H6	169.2°	32.5°
C1	C2	H3	H4	119.5°	119.2°
C2	C1	C16	H17	169.7°	46.2°
C2	C1	O1	H1	180.0°	60.0°
C16	C1	C2	C3	173.1°	90.1°
C1	C16	C15	C14	83.2°	146.4°
C1	C16	C15	O7	96.3°	34.1°
C1	C16	C15	O8	121.3°	119.8°
C1	C16	C15	H17	118.5°	120.3°
C1	C16	O8	H17	116.2°	120.0°
C16	C1	C2	H3	66.8°	149.1°
C16	C1	C2	H4	52.9°	30.3°
C16	C1	O1	H1	59.7°	178.5°
C1	C16	O8	H18	113.8°	180.0°
C2	C3	O2	H5	119.4°	119.1°
C2	C3	O2	H6	119.4°	122.3°
C2	C3	O2	C4	179.2°	175.6°
C2	C3	H5	H6	121.8°	121.2°
C3	C2	H3	H4	119.6°	118.8°
C3	C2	C1	H2	51.9°	150.9°
C3	O2	C4	C5	16.2°	74.3°
C3	O2	C4	C9	163.0°	106.3°
O2	C3	H5	H6	121.8°	119.3°
O2	C3	C2	H3	168.4°	150.1°
O2	C3	C2	H4	48.6°	31.6°
O2	C4	C5	C9	179.2°	179.4°
O2	C4	C5	C6	179.7°	178.6°
O2	C4	C9	C8	179.8°	177.0°
O2	C4	C9	C10	2.5°	4.6°
O2	C4	C5	H7	0.3°	1.4°
C4	O2	C3	H5	59.8°	56.5°
C4	O2	C3	H6	61.4°	62.1°
C4	C5	C6	H7	180.0°	179.9°
C4	C5	C6	O3	179.0°	179.4°
C4	C5	C6	C7	1.9°	0.8°
C5	C4	C9	C8	0.6°	2.5°
C5	C4	C9	C10	178.3°	176.0°
C9	C4	C5	C6	1.1°	0.8°
C4	C9	C8	C7	0.8°	2.5°
C4	C9	C8	O4	179.4°	177.7°
C4	C9	C8	C10	178.0°	178.4°
C4	C9	C10	O5	179.0°	11.8°
C4	C9	C10	O6	7.5°	167.8°
C9	C4	C5	H7	178.9°	179.2°
C5	C6	O3	C7	179.1°	179.8°
C5	C6	C7	C8	2.2°	0.8°
C5	C6	C7	H9	177.8°	179.6°
C5	C6	O3	H8	180.0°	90.0°
O3	C6	C7	C8	178.8°	179.5°
O3	C6	C5	H7	1.0°	0.5°
O3	C6	C7	H9	1.2°	0.2°
C6	C7	C8	H9	180.0°	179.7°
C6	C7	C8	O4	178.6°	179.3°
C6	C7	C8	C9	1.6°	0.9°
C7	C6	C5	H7	178.1°	179.2°
C7	C6	O3	H8	0.9°	90.2°
C7	C8	O4	C9	179.8°	179.8°
C7	C8	C9	C10	178.8°	175.9°
C7	C8	O4	H10	179.8°	90.0°
O4	C8	C9	C10	1.4°	3.9°
O4	C8	C7	H9	1.4°	1.1°
C8	C9	C10	O5	3.2°	166.7°
C8	C9	C10	O6	170.3°	13.7°
C9	C8	C7	H9	178.4°	178.7°
C9	C8	O4	H10	0.0°	89.8°
C9	C10	O5	O6	172.8°	179.6°
C9	C10	O6	C11	178.8°	175.4°
O5	C10	O6	C11	7.8°	5.1°
C10	O6	C11	C12	180.0°	57.4°
C10	O6	C11	H11	60.1°	62.9°
C10	O6	C11	H12	60.2°	177.5°
O6	C11	C12	H11	119.9°	120.3°
O6	C11	C12	H12	119.8°	120.2°
O6	C11	C12	C13	64.1°	119.6°
O6	C11	H11	H12	120.4°	119.7°
O6	C11	C12	H14	175.2°	0.8°
O6	C11	C12	H13	56.6°	120.6°
C11	C12	C13	H14	120.8°	120.4°
C11	C12	C13	H13	120.7°	119.9°
C11	C12	C13	C14	166.6°	156.5°
C12	C11	H11	H12	120.5°	119.7°
C11	C12	H14	H13	117.8°	119.9°
C11	C12	C13	H15	45.8°	83.6°
C11	C12	C13	H131	72.6°	36.2°
C12	C13	C14	H15	120.8°	119.9°
C12	C13	C14	H131	120.8°	120.3°
C12	C13	C14	C15	58.1°	125.0°
C13	C12	C11	H11	55.8°	0.7°
C13	C12	C11	H12	176.1°	120.2°
C13	C12	H14	H13	117.7°	119.8°
C12	C13	H15	H131	117.4°	120.0°
C12	C13	C14	H16	178.8°	4.7°
C12	C13	C14	H141	62.6°	115.2°
C13	C14	C15	H16	120.7°	120.4°
C13	C14	C15	H141	120.7°	119.8°
C13	C14	C15	O7	82.2°	80.8°
C13	C14	C15	C16	97.3°	99.6°
C14	C13	C12	H14	72.7°	36.1°
C14	C13	C12	H13	45.9°	83.6°
C14	C13	H15	H131	117.4°	119.9°
C13	C14	H16	H141	117.8°	119.8°
C14	C15	O7	C16	179.5°	179.5°
C14	C15	C16	O8	155.5°	93.8°
C15	C14	C13	H15	62.7°	115.1°
C15	C14	C13	H131	178.9°	4.7°
C15	C14	H16	H141	117.9°	119.8°
C14	C15	C16	H17	35.3°	26.1°
O7	C15	C16	O8	25.0°	85.8°
O7	C15	C14	H16	157.1°	158.8°
O7	C15	C14	H141	38.5°	39.0°
O7	C15	C16	H17	145.2°	154.4°
C15	C16	O8	H17	119.3°	120.0°
C15	C16	C1	H2	49.4°	74.4°
C16	C15	C14	H16	23.4°	20.7°
C16	C15	C14	H141	142.0°	140.5°
C15	C16	O8	H18	10.8°	60.0°
O8	C16	C1	H2	173.7°	45.4°
H5	C3	C2	H3	72.2°	31.2°
H5	C3	C2	H4	168.0°	87.3°
H6	C3	C2	H3	49.0°	88.4°
H6	C3	C2	H4	70.7°	153.1°
H3	C2	C1	H2	172.1°	30.1°
H4	C2	C1	H2	68.2°	88.7°
H2	C1	C16	H17	69.2°	165.3°
H2	C1	O1	H1	61.6°	59.6°
H11	C11	C12	H14	64.9°	121.1°
H11	C11	C12	H13	176.5°	119.1°
H12	C11	C12	H14	55.4°	119.5°
H12	C11	C12	H13	63.2°	0.3°
H14	C12	C13	H15	166.6°	156.0°
H14	C12	C13	H131	48.1°	84.2°
H13	C12	C13	H15	74.9°	36.3°
H13	C12	C13	H131	166.7°	156.1°
H15	C13	C14	H16	58.0°	124.6°
H15	C13	C14	H141	176.6°	4.7°
H131	C13	C14	H16	60.4°	115.6°
H131	C13	C14	H141	58.2°	124.5°
H17	C16	O8	H18	130.0°	60.0°

Release date:	2025-04-16
Definition date:	2023-10-09
Last modified:	2025-04-11
Release status:	REL
Processing site:	PDBE
Derived from:	8QR5