Summary Geometry PCM/PTM Related PDB entries

A1B6F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C1	doub	1.21Å	1.21Å
O1	C1	sing	1.35Å	1.21Å
C1	C2	sing	1.47Å	1.44Å
C2	C3	doub	1.37Å	1.35Å	Aromatic
C2	C5	sing	1.46Å	1.40Å	Aromatic
C3	O3	sing	1.34Å	1.36Å	Aromatic
C5	C6	sing	1.50Å	1.42Å
C5	C4	doub	1.35Å	1.33Å	Aromatic
O3	C4	sing	1.34Å	1.37Å	Aromatic
C6	C7	sing	1.53Å	1.50Å
C4	C15	sing	1.51Å	1.47Å
C7	C8	sing	1.53Å	1.54Å
C15	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.51Å	1.52Å
C9	C14	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
BR1	C10	sing	1.89Å	1.90Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
O1	H1	sing	0.97Å	0.95Å
C3	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	O1	121.2°	120.0°
O2	C1	C2	118.3°	120.0°
O1	C1	C2	120.5°	120.0°
C1	O1	H1	109.5°	117.0°
C1	C2	C3	125.0°	127.3°
C1	C2	C5	128.0°	127.3°
C3	C2	C5	107.1°	105.3°
C2	C3	O3	109.6°	108.4°
C2	C3	H2	125.2°	125.7°
C2	C5	C6	130.4°	128.6°
C2	C5	C4	106.6°	106.5°
C3	O3	C4	105.9°	111.0°
O3	C3	H2	125.2°	125.8°
C6	C5	C4	123.0°	124.9°
C5	C6	C7	115.6°	108.4°
C5	C6	H3	107.9°	109.6°
C5	C6	H4	107.9°	109.7°
C5	C4	O3	110.8°	108.8°
C5	C4	C15	125.1°	123.6°
O3	C4	C15	124.0°	127.6°
C6	C7	C8	111.3°	109.3°
C7	C6	H3	107.9°	109.6°
C7	C6	H4	107.9°	109.7°
C6	C7	H5	109.0°	109.5°
C6	C7	H6	109.0°	109.5°
C4	C15	C8	105.7°	108.5°
C4	C15	H12	110.4°	109.6°
C4	C15	H13	110.4°	109.6°
C7	C8	C15	109.8°	109.8°
C7	C8	C9	119.1°	109.4°
C8	C7	H5	109.0°	109.5°
C8	C7	H6	109.0°	109.5°
C7	C8	H7	105.3°	109.4°
C15	C8	C9	110.7°	109.5°
C15	C8	H7	105.4°	109.2°
C8	C15	H12	110.4°	110.1°
C8	C15	H13	110.4°	109.1°
C8	C9	C14	118.8°	120.0°
C8	C9	C10	124.0°	120.0°
C9	C8	H7	105.5°	109.4°
C14	C9	C10	117.1°	120.0°
C9	C14	C13	121.5°	120.0°
C9	C14	H11	119.3°	120.1°
C9	C10	BR1	122.2°	120.0°
C9	C10	C11	121.7°	119.9°
BR1	C10	C11	116.0°	120.0°
C14	C13	C12	120.0°	120.0°
C14	C13	H10	120.0°	120.0°
C13	C14	H11	119.2°	120.0°
C10	C11	C12	119.7°	120.0°
C10	C11	H8	120.2°	120.0°
C13	C12	C11	120.0°	120.0°
C13	C12	H9	120.0°	120.0°
C12	C13	H10	120.0°	120.0°
C12	C11	H8	120.2°	120.1°
C11	C12	H9	120.0°	120.0°
H3	C6	H4	109.5°	109.7°
H5	C7	H6	109.5°	109.5°
H12	C15	H13	109.5°	109.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	O1	C2	179.3°	179.9°
O2	C1	C2	C3	32.4°	179.9°
O2	C1	C2	C5	147.7°	0.2°
O2	C1	O1	H1	0.0°	0.1°
O1	C1	C2	C3	146.9°	0.0°
O1	C1	C2	C5	33.0°	179.7°
C1	C2	C3	C5	179.9°	179.8°
C1	C2	C3	O3	179.9°	180.0°
C1	C2	C5	C6	0.9°	0.1°
C1	C2	C5	C4	179.1°	179.8°
C2	C1	O1	H1	179.3°	180.0°
C1	C2	C3	H2	0.1°	0.0°
C2	C3	O3	H2	180.0°	179.9°
C3	C2	C5	C6	179.2°	179.7°
C3	C2	C5	C4	1.0°	0.4°
C2	C3	O3	C4	0.6°	0.0°
C5	C2	C3	O3	0.2°	0.2°
C2	C5	C6	C4	178.0°	179.9°
C2	C5	C4	O3	1.4°	0.4°
C2	C5	C6	C7	179.5°	163.8°
C2	C5	C4	C15	179.3°	179.7°
C5	C2	C3	H2	179.8°	179.8°
C2	C5	C6	H3	59.6°	44.1°
C2	C5	C6	H4	58.6°	76.5°
C3	O3	C4	C5	1.2°	0.2°
C3	O3	C4	C15	179.2°	179.9°
C6	C5	C4	O3	179.8°	179.7°
C5	C6	C7	H3	120.9°	119.7°
C5	C6	C7	H4	120.9°	119.7°
C6	C5	C4	C15	2.3°	0.2°
C5	C6	C7	C8	28.0°	49.2°
C5	C6	H3	H4	117.2°	120.5°
C5	C6	C7	H5	92.2°	70.7°
C5	C6	C7	H6	148.3°	169.2°
C5	C4	O3	C15	178.0°	179.9°
C4	C5	C6	C7	2.5°	16.3°
C5	C4	C15	C8	27.9°	16.6°
C4	C5	C6	H3	118.3°	136.0°
C4	C5	C6	H4	123.4°	103.5°
C5	C4	C15	H12	147.3°	136.8°
C5	C4	C15	H13	91.5°	102.5°
O3	C4	C15	C8	149.8°	163.6°
C4	O3	C3	H2	179.4°	180.0°
O3	C4	C15	H12	30.4°	43.3°
O3	C4	C15	H13	90.8°	77.4°
C6	C7	C8	H5	120.3°	120.0°
C6	C7	C8	H6	120.3°	119.9°
C6	C7	C8	C15	59.0°	69.7°
C6	C7	C8	C9	171.9°	170.1°
C7	C6	H3	H4	117.2°	120.6°
C6	C7	H5	H6	119.2°	120.1°
C6	C7	C8	H7	54.0°	50.2°
C4	C15	C8	C7	56.2°	49.9°
C4	C15	C8	H12	119.4°	119.9°
C4	C15	C8	H13	119.4°	119.4°
C4	C15	C8	C9	170.3°	170.1°
C4	C15	C8	H7	56.7°	70.1°
C4	C15	H12	H13	121.7°	120.5°
C7	C8	C15	C9	133.5°	120.2°
C7	C8	C15	H7	112.9°	120.0°
C7	C8	C9	H7	117.8°	119.9°
C7	C8	C9	C14	152.3°	60.1°
C7	C8	C9	C10	30.4°	120.3°
C8	C7	C6	H3	148.9°	168.9°
C8	C7	C6	H4	92.9°	70.5°
C8	C7	H5	H6	119.2°	120.1°
C7	C8	C15	H12	175.6°	169.9°
C7	C8	C15	H13	63.2°	69.5°
C15	C8	C9	H7	113.5°	119.7°
C15	C8	C9	C14	79.0°	60.3°
C15	C8	C9	C10	98.3°	119.3°
C15	C8	C7	H5	61.3°	50.3°
C15	C8	C7	H6	179.2°	170.4°
C8	C15	H12	H13	121.8°	120.2°
C8	C9	C14	C10	177.5°	179.6°
C8	C9	C10	BR1	1.9°	0.1°
C8	C9	C14	C13	178.9°	179.8°
C8	C9	C10	C11	178.7°	180.0°
C9	C8	C7	H5	67.8°	70.0°
C9	C8	C7	H6	51.6°	50.2°
C8	C9	C14	H11	1.2°	0.1°
C9	C8	C15	H12	50.9°	70.0°
C9	C8	C15	H13	70.3°	50.7°
C14	C9	C10	BR1	179.3°	179.7°
C9	C14	C13	H11	180.0°	179.7°
C14	C9	C10	C11	1.3°	0.4°
C9	C14	C13	C12	1.0°	0.6°
C14	C9	C8	H7	34.5°	180.0°
C9	C14	C13	H10	179.0°	179.7°
C9	C10	BR1	C11	179.5°	180.0°
C10	C9	C14	C13	1.4°	0.6°
C9	C10	C11	C12	0.8°	0.1°
C10	C9	C8	H7	148.2°	0.4°
C9	C10	C11	H8	179.2°	179.9°
C10	C9	C14	H11	178.7°	179.7°
BR1	C10	C11	C12	179.7°	180.0°
BR1	C10	C11	H8	0.3°	0.0°
C14	C13	C12	H10	180.0°	179.8°
C14	C13	C12	C11	0.4°	0.3°
C14	C13	C12	H9	179.6°	179.8°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	H9	179.6°	180.0°
C13	C12	C11	H9	180.0°	179.9°
C13	C12	C11	H8	179.7°	180.0°
C12	C13	C14	H11	179.1°	179.7°
C11	C12	C13	H10	179.6°	179.9°
H3	C6	C7	H5	28.6°	49.0°
H3	C6	C7	H6	90.8°	71.2°
H4	C6	C7	H5	146.9°	169.5°
H4	C6	C7	H6	27.4°	49.4°
H5	C7	C8	H7	174.3°	170.2°
H6	C7	C8	H7	66.3°	69.7°
H7	C8	C15	H12	62.6°	49.9°
H7	C8	C15	H13	176.1°	170.5°
H8	C11	C12	H9	0.4°	0.1°
H9	C12	C13	H10	0.4°	0.0°
H10	C13	C14	H11	0.9°	0.0°

Release date:	2026-05-20
Definition date:	2025-03-24
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	7I90