Summary Geometry PCM/PTM Related PDB entries

A1CK0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	doub	1.36Å	1.27Å
C02	C03	sing	1.41Å	1.57Å
C01	C06	sing	1.51Å	1.52Å
C07	C08	doub	1.40Å	1.42Å	Aromatic
C08	C09	sing	1.40Å	1.39Å	Aromatic
C09	C10	doub	1.36Å	1.36Å	Aromatic
C10	C11	sing	1.40Å	1.45Å	Aromatic
C11	C12	doub	1.40Å	1.36Å	Aromatic
C12	C07	sing	1.36Å	1.38Å	Aromatic
C11	C01	sing	1.47Å	1.57Å
C13	C14	doub	1.35Å	1.45Å	Aromatic
C14	S15	sing	1.76Å	1.54Å	Aromatic
S15	C16	sing	1.76Å	1.61Å	Aromatic
C16	C17	doub	1.36Å	1.41Å	Aromatic
C17	C13	sing	1.38Å	1.65Å	Aromatic
C16	C08	sing	1.47Å	1.35Å
C14	N18	sing	1.39Å	1.51Å
N18	C19	sing	1.46Å	1.43Å
N18	C20	sing	1.47Å	1.44Å
C10	H27	sing	1.08Å	1.08Å
C13	H29	sing	1.08Å	1.08Å
C12	H28	sing	1.08Å	1.08Å
C02	H21	sing	1.08Å	1.08Å
C03	H05	sing	1.08Å	1.08Å
C06	H23	sing	1.09Å	1.10Å
C06	H24	sing	1.09Å	1.10Å
C06	H22	sing	1.09Å	1.10Å
C07	H25	sing	1.08Å	1.08Å
C09	H26	sing	1.08Å	1.08Å
C17	H30	sing	1.08Å	1.08Å
C19	H32	sing	1.09Å	1.10Å
C19	H33	sing	1.09Å	1.10Å
C19	H31	sing	1.09Å	1.10Å
C20	H34	sing	1.09Å	1.10Å
C20	H35	sing	1.09Å	1.10Å
C20	H36	sing	1.09Å	1.10Å
C03	O1	doub	1.22Å	1.25Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	119.9°	120.0°
C02	C01	C06	119.9°	120.0°
C02	C01	C11	119.9°	120.0°
C01	C02	H21	120.0°	120.0°
C03	C02	H21	120.1°	120.0°
C02	C03	H05	120.6°	120.1°
C02	C03	O1	118.8°	120.0°
C06	C01	C11	120.2°	120.0°
C01	C06	H23	109.5°	109.5°
C01	C06	H24	109.5°	109.4°
C01	C06	H22	109.5°	109.5°
C07	C08	C09	120.1°	120.1°
C08	C07	C12	120.0°	120.0°
C07	C08	C16	119.9°	120.0°
C08	C07	H25	120.0°	120.0°
C08	C09	C10	119.9°	120.0°
C09	C08	C16	120.0°	120.0°
C08	C09	H26	120.0°	120.0°
C09	C10	C11	120.0°	120.0°
C09	C10	H27	120.0°	120.0°
C10	C09	H26	120.0°	120.1°
C10	C11	C12	119.9°	120.0°
C10	C11	C01	120.3°	120.0°
C11	C10	H27	120.0°	120.0°
C11	C12	C07	120.0°	120.0°
C12	C11	C01	119.8°	120.1°
C11	C12	H28	120.0°	119.9°
C07	C12	H28	120.0°	120.1°
C12	C07	H25	120.0°	120.0°
C13	C14	S15	108.0°	109.9°
C14	C13	C17	108.2°	115.0°
C13	C14	N18	125.9°	125.1°
C14	C13	H29	125.9°	122.5°
C14	S15	C16	107.7°	91.1°
S15	C14	N18	126.1°	125.0°
S15	C16	C17	108.0°	109.5°
S15	C16	C08	126.0°	125.3°
C16	C17	C13	108.2°	114.6°
C17	C16	C08	126.0°	125.3°
C16	C17	H30	125.9°	122.7°
C17	C13	H29	125.9°	122.5°
C13	C17	H30	125.9°	122.7°
C14	N18	C19	119.7°	120.0°
C14	N18	C20	119.9°	120.0°
C19	N18	C20	120.4°	120.0°
N18	C19	H32	109.5°	109.5°
N18	C19	H33	109.5°	109.5°
N18	C19	H31	109.5°	109.5°
N18	C20	H34	109.5°	109.5°
N18	C20	H35	109.5°	109.4°
N18	C20	H36	109.5°	109.5°
H05	C03	O1	120.6°	119.9°
H23	C06	H24	109.5°	109.5°
H23	C06	H22	109.5°	109.5°
H24	C06	H22	109.5°	109.4°
H32	C19	H33	109.5°	109.4°
H32	C19	H31	109.5°	109.5°
H33	C19	H31	109.5°	109.5°
H34	C20	H35	109.4°	109.4°
H34	C20	H36	109.4°	109.5°
H35	C20	H36	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H21	180.0°	180.0°
C02	C01	C06	C11	179.9°	180.0°
C02	C01	C11	C10	178.5°	65.0°
C02	C01	C11	C12	1.5°	115.0°
C01	C02	C03	H05	18.0°	0.0°
C02	C01	C06	H23	180.0°	90.0°
C02	C01	C06	H24	60.0°	30.0°
C02	C01	C06	H22	60.0°	150.0°
C01	C02	C03	O1	162.0°	180.0°
C03	C02	C01	C06	2.7°	0.0°
C03	C02	C01	C11	177.2°	180.0°
C02	C03	H05	O1	180.0°	180.0°
C06	C01	C11	C10	1.6°	115.0°
C06	C01	C11	C12	178.4°	65.0°
C06	C01	C02	H21	177.3°	180.0°
C01	C06	H23	H24	120.0°	120.0°
C01	C06	H23	H22	120.0°	120.1°
C01	C06	H24	H22	120.0°	120.0°
C07	C08	C09	C16	179.9°	179.8°
C07	C08	C09	C10	0.1°	0.5°
C08	C07	C12	C11	0.0°	0.0°
C08	C07	C12	H25	180.0°	180.0°
C07	C08	C16	S15	164.1°	0.3°
C07	C08	C16	C17	15.8°	180.0°
C08	C07	C12	H28	180.0°	179.9°
C07	C08	C09	H26	179.9°	180.0°
C08	C09	C10	H26	180.0°	179.5°
C08	C09	C10	C11	0.0°	0.5°
C09	C08	C07	C12	0.1°	0.2°
C09	C08	C16	S15	15.8°	179.5°
C09	C08	C16	C17	164.3°	0.2°
C08	C09	C10	H27	179.9°	179.8°
C09	C08	C07	H25	179.9°	179.8°
C09	C10	C11	H27	180.0°	179.7°
C09	C10	C11	C12	0.0°	0.2°
C09	C10	C11	C01	180.0°	179.7°
C10	C09	C08	C16	180.0°	179.7°
C10	C11	C12	C01	180.0°	180.0°
C10	C11	C12	C07	0.0°	0.0°
C10	C11	C12	H28	180.0°	180.0°
C11	C10	C09	H26	179.9°	180.0°
C11	C12	C07	H28	180.0°	179.9°
C12	C11	C10	H27	180.0°	179.9°
C11	C12	C07	H25	180.0°	179.9°
C07	C12	C11	C01	180.0°	180.0°
C12	C07	C08	C16	179.9°	180.0°
C01	C11	C10	H27	0.0°	0.0°
C01	C11	C12	H28	0.0°	0.1°
C11	C01	C02	H21	2.8°	0.0°
C11	C01	C06	H23	0.1°	90.0°
C11	C01	C06	H24	120.1°	150.0°
C11	C01	C06	H22	119.9°	30.0°
C13	C14	S15	N18	180.0°	180.0°
C13	C14	S15	C16	0.0°	0.3°
C14	C13	C17	C16	0.0°	0.0°
C14	C13	C17	H29	180.0°	179.7°
C13	C14	N18	C19	1.6°	0.0°
C13	C14	N18	C20	178.4°	180.0°
C14	C13	C17	H30	180.0°	179.8°
C14	S15	C16	C17	0.0°	0.3°
S15	C14	C13	C17	0.0°	0.3°
C14	S15	C16	C08	179.9°	180.0°
S15	C14	N18	C19	178.4°	180.0°
S15	C14	N18	C20	1.6°	0.0°
S15	C14	C13	H29	180.0°	180.0°
S15	C16	C17	C08	179.9°	179.7°
S15	C16	C17	C13	0.0°	0.3°
C16	S15	C14	N18	180.0°	179.7°
S15	C16	C17	H30	179.9°	179.9°
C16	C17	C13	H30	180.0°	179.8°
C16	C17	C13	H29	180.0°	179.7°
C13	C17	C16	C08	179.9°	180.0°
C17	C13	C14	N18	180.0°	179.8°
C16	C08	C07	H25	0.0°	0.0°
C16	C08	C09	H26	0.0°	0.2°
C08	C16	C17	H30	0.1°	0.3°
C14	N18	C19	C20	180.0°	180.0°
N18	C14	C13	H29	0.0°	0.1°
C14	N18	C19	H32	180.0°	90.0°
C14	N18	C19	H33	60.0°	150.0°
C14	N18	C19	H31	60.0°	30.0°
C14	N18	C20	H34	180.0°	0.1°
C14	N18	C20	H35	60.0°	120.0°
C14	N18	C20	H36	60.0°	120.0°
N18	C19	H32	H33	120.0°	120.0°
N18	C19	H32	H31	120.0°	120.0°
N18	C19	H33	H31	120.0°	120.0°
C19	N18	C20	H34	0.0°	180.0°
C19	N18	C20	H35	120.0°	60.0°
C19	N18	C20	H36	120.0°	60.0°
C20	N18	C19	H32	0.0°	89.9°
C20	N18	C19	H33	120.0°	30.0°
C20	N18	C19	H31	120.0°	150.0°
N18	C20	H34	H35	120.0°	119.9°
N18	C20	H34	H36	120.0°	120.1°
N18	C20	H35	H36	120.0°	120.0°
H27	C10	C09	H26	0.1°	0.3°
H29	C13	C17	H30	0.0°	0.1°
H28	C12	C07	H25	0.0°	0.0°
H21	C02	C03	H05	162.0°	180.0°
H21	C02	C03	O1	18.0°	0.0°
H23	C06	H24	H22	120.0°	120.0°
H32	C19	H33	H31	120.0°	120.0°
H34	C20	H35	H36	119.9°	120.1°

Release date:	2025-10-01
Definition date:	2025-07-28
Last modified:	2025-09-26
Release status:	REL
Processing site:	RCSB
Derived from:	9PT1