Summary Geometry PCM/PTM Related PDB entries

ZQ2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C18	sing	1.50Å	1.49Å
C10	C9	doub	1.38Å	1.37Å	Aromatic
C10	C11	sing	1.37Å	1.35Å	Aromatic
C18	O6	sing	1.25Å	1.25Å
C18	O5	doub	1.25Å	1.28Å
C9	C8	sing	1.39Å	1.39Å	Aromatic
O6	RU2	sing	2.16Å	2.04Å
O5	RU1	sing	2.05Å	2.07Å
RU2	RU1	sing	2.66Å	2.30Å
RU2	N2	sing	2.20Å	2.01Å
C5	C6	doub	1.38Å	1.36Å	Aromatic
C5	C4	sing	1.37Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.36Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
RU1	N1	sing	1.73Å	2.02Å
C7	C2	doub	1.39Å	1.39Å	Aromatic
C8	N2	sing	1.43Å	1.43Å
C8	C13	doub	1.39Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
N2	C1	sing	1.34Å	1.33Å
C2	N1	sing	1.43Å	1.43Å
C1	N1	doub	1.34Å	1.32Å
C12	C13	sing	1.38Å	1.36Å	Aromatic
C11	H1	sing	0.94Å	1.08Å
C12	H2	sing	0.94Å	1.08Å
C13	H3	sing	0.94Å	1.08Å
C3	H4	sing	0.94Å	1.08Å
C4	H5	sing	0.94Å	1.08Å
C7	H6	sing	0.94Å	1.08Å
C1	H8	sing	0.94Å	1.08Å
C6	H9	sing	0.94Å	1.08Å
C5	H10	sing	0.94Å	1.08Å
C10	H11	sing	0.94Å	1.08Å
C9	H12	sing	0.94Å	1.08Å
C19	H13	sing	0.97Å	1.10Å
C19	H14	sing	0.97Å	1.10Å
C19	H15	sing	0.97Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C18	O6	115.4°	118.5°
C19	C18	O5	121.7°	117.8°
C18	C19	H13	109.5°	109.8°
C18	C19	H14	109.5°	109.6°
C18	C19	H15	109.5°	109.6°
C9	C10	C11	120.6°	120.5°
C10	C9	C8	119.8°	120.6°
C9	C10	H11	119.7°	119.7°
C10	C9	H12	120.1°	119.7°
C10	C11	C12	120.6°	119.6°
C10	C11	H1	119.7°	120.2°
C11	C10	H11	119.7°	119.9°
O6	C18	O5	122.9°	123.7°
C18	O6	RU2	114.6°	109.0°
C18	O5	RU1	120.1°	104.6°
C9	C8	N2	120.3°	117.0°
C9	C8	C13	118.1°	118.4°
C8	C9	H12	120.1°	119.7°
O6	RU2	RU1	92.5°	80.9°
O6	RU2	N2	174.3°	118.9°
O5	RU1	RU2	85.3°	86.6°
O5	RU1	N1	174.0°	174.0°
RU1	RU2	N2	88.1°	68.8°
RU2	RU1	N1	92.0°	88.6°
RU2	N2	C8	127.3°	112.0°
RU2	N2	C1	118.6°	115.8°
C6	C5	C4	123.3°	119.6°
C5	C6	C7	117.9°	120.4°
C5	C6	H9	121.0°	119.9°
C6	C5	H10	118.3°	120.2°
C5	C4	C3	118.1°	120.5°
C5	C4	H5	121.0°	119.9°
C4	C5	H10	118.4°	120.2°
C6	C7	C2	121.6°	120.4°
C6	C7	H6	119.2°	119.7°
C7	C6	H9	121.0°	119.6°
C11	C12	C13	119.6°	120.4°
C12	C11	H1	119.7°	120.2°
C11	C12	H2	120.2°	119.9°
C4	C3	C2	120.0°	120.5°
C4	C3	H4	120.0°	119.8°
C3	C4	H5	120.9°	119.7°
RU1	N1	C2	117.8°	113.0°
RU1	N1	C1	115.4°	110.9°
C7	C2	C3	119.2°	118.5°
C7	C2	N1	116.2°	124.5°
C2	C7	H6	119.2°	119.9°
N2	C8	C13	121.4°	124.7°
C8	N2	C1	109.3°	130.9°
C8	C13	C12	121.3°	120.5°
C8	C13	H3	119.3°	119.8°
C3	C2	N1	124.6°	117.0°
C2	C3	H4	120.0°	119.7°
N2	C1	N1	123.4°	120.3°
N2	C1	H8	118.3°	119.9°
C2	N1	C1	119.1°	131.8°
N1	C1	H8	118.3°	119.8°
C13	C12	H2	120.2°	119.6°
C12	C13	H3	119.4°	119.6°
H13	C19	H14	109.4°	109.3°
H13	C19	H15	109.4°	109.3°
H14	C19	H15	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C18	O6	O5	178.7°	179.1°
C19	C18	O6	RU2	153.3°	112.4°
C19	C18	O5	RU1	154.5°	105.6°
C18	C19	H13	H14	120.0°	120.2°
C18	C19	H13	H15	120.0°	120.2°
C18	C19	H14	H15	120.0°	120.2°
C9	C10	C11	H11	180.0°	179.9°
C10	C9	C8	H12	180.0°	179.8°
C9	C10	C11	C12	0.8°	0.0°
C10	C9	C8	N2	177.0°	179.9°
C10	C9	C8	C13	1.6°	0.4°
C9	C10	C11	H1	179.2°	179.9°
C11	C10	C9	C8	0.1°	0.2°
C10	C11	C12	H1	180.0°	180.0°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	H2	179.6°	180.0°
C11	C10	C9	H12	179.9°	180.0°
O6	C18	O5	RU1	24.1°	73.6°
C18	O6	RU2	RU1	13.9°	19.7°
C18	O6	RU2	N2	110.1°	39.7°
O6	C18	C19	H13	0.0°	0.7°
O6	C18	C19	H14	120.0°	119.3°
O6	C18	C19	H15	120.0°	120.7°
O5	C18	O6	RU2	25.4°	66.7°
C18	O5	RU1	RU2	9.2°	33.4°
C18	O5	RU1	N1	54.2°	3.1°
O5	C18	C19	H13	178.7°	178.5°
O5	C18	C19	H14	61.3°	61.5°
O5	C18	C19	H15	58.7°	58.5°
C9	C8	N2	RU2	59.2°	12.1°
C9	C8	N2	C13	175.2°	179.4°
C9	C8	N2	C1	95.6°	178.6°
C9	C8	C13	C12	2.8°	0.3°
C9	C8	C13	H3	177.2°	179.8°
C8	C9	C10	H11	179.9°	179.8°
O6	RU2	RU1	O5	2.1°	6.6°
O6	RU2	RU1	N2	174.3°	126.0°
O6	RU2	RU1	N1	176.8°	169.9°
O6	RU2	N2	C8	95.2°	83.8°
O6	RU2	N2	C1	112.1°	107.5°
O5	RU1	RU2	N1	174.6°	176.4°
O5	RU1	RU2	N2	176.5°	132.6°
O5	RU1	N1	C2	81.7°	175.9°
O5	RU1	N1	C1	67.5°	16.3°
RU1	RU2	N2	C8	168.5°	149.6°
RU1	RU2	N2	C1	15.7°	41.7°
RU2	RU1	N1	C2	144.8°	147.5°
RU2	RU1	N1	C1	4.4°	52.8°
N2	RU2	RU1	N1	8.9°	43.9°
RU2	N2	C8	C1	154.8°	166.5°
RU2	N2	C8	C13	125.6°	168.5°
RU2	N2	C1	N1	17.2°	21.5°
RU2	N2	C1	H8	162.8°	158.2°
C6	C5	C4	H10	180.0°	180.0°
C5	C6	C7	H9	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.0°
C5	C6	C7	C2	0.1°	0.4°
C6	C5	C4	H5	179.9°	180.0°
C5	C6	C7	H6	179.9°	179.9°
C4	C5	C6	C7	0.1°	0.1°
C5	C4	C3	H5	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.2°
C5	C4	C3	H4	179.8°	179.9°
C4	C5	C6	H9	179.9°	180.0°
C6	C7	C2	H6	180.0°	179.5°
C6	C7	C2	C3	0.0°	0.6°
C6	C7	C2	N1	179.6°	179.9°
C7	C6	C5	H10	179.9°	179.9°
C11	C12	C13	C8	2.2°	0.1°
C11	C12	C13	H2	180.0°	179.9°
C11	C12	C13	H3	177.8°	180.0°
C12	C11	C10	H11	179.2°	179.9°
C4	C3	C2	C7	0.2°	0.5°
C4	C3	C2	H4	180.0°	179.8°
C4	C3	C2	N1	179.7°	179.8°
C3	C4	C5	H10	179.9°	179.9°
RU1	N1	C2	C7	19.2°	150.4°
RU1	N1	C2	C3	161.3°	30.4°
RU1	N1	C1	N2	6.9°	30.8°
RU1	N1	C2	C1	148.0°	154.2°
RU1	N1	C1	H8	173.0°	149.5°
C7	C2	C3	N1	179.5°	179.3°
C7	C2	N1	C1	167.3°	3.9°
C7	C2	C3	H4	179.8°	179.7°
C2	C7	C6	H9	179.9°	179.7°
C8	N2	C1	N1	174.5°	172.4°
N2	C8	C13	C12	178.1°	179.8°
N2	C8	C13	H3	1.9°	0.4°
C8	N2	C1	H8	5.5°	7.8°
N2	C8	C9	H12	3.0°	0.4°
C13	C8	N2	C1	79.6°	2.0°
C8	C13	C12	H3	180.0°	179.8°
C8	C13	C12	H2	177.8°	179.8°
C13	C8	C9	H12	178.4°	179.8°
C3	C2	N1	C1	13.2°	175.4°
C2	C3	C4	H5	179.8°	179.8°
C3	C2	C7	H6	180.0°	179.9°
N2	C1	N1	C2	155.7°	174.6°
N2	C1	N1	H8	180.0°	179.8°
N1	C2	C3	H4	0.3°	0.3°
N1	C2	C7	H6	0.4°	0.7°
C2	N1	C1	H8	24.3°	5.1°
C13	C12	C11	H1	179.7°	180.0°
H1	C11	C12	H2	0.4°	0.1°
H1	C11	C10	H11	0.8°	0.0°
H2	C12	C13	H3	2.2°	0.0°
H4	C3	C4	H5	0.2°	0.0°
H5	C4	C5	H10	0.1°	0.1°
H6	C7	C6	H9	0.1°	0.3°
H9	C6	C5	H10	0.1°	0.0°
H11	C10	C9	H12	0.1°	0.1°
H13	C19	H14	H15	120.0°	119.5°

Release date:	2023-09-13
Definition date:	2023-06-29
Last modified:	2026-07-31
Release status:	REL
Processing site:	PDBE
Derived from:	8PH7