Summary Geometry PCM/PTM Related PDB entries

A1B6P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.37Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.37Å	Aromatic
C14	C9	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C10	F1	sing	1.35Å	1.34Å
C9	C8	sing	1.51Å	1.51Å
C15	C8	sing	1.53Å	1.53Å
C15	C4	sing	1.51Å	1.48Å
C8	C7	sing	1.53Å	1.52Å
C4	O3	sing	1.34Å	1.37Å	Aromatic
C4	C5	doub	1.34Å	1.34Å	Aromatic
C7	C6	sing	1.53Å	1.50Å
O3	C3	sing	1.34Å	1.36Å	Aromatic
C5	C6	sing	1.51Å	1.44Å
C5	C2	sing	1.46Å	1.41Å	Aromatic
C3	C2	doub	1.37Å	1.35Å	Aromatic
C2	C1	sing	1.47Å	1.44Å
C1	O2	doub	1.22Å	1.21Å
C1	O1	sing	1.35Å	1.20Å
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)
C13	C12	C11	120.6°	120.1°
C12	C13	C14	120.4°	120.0°
C13	C12	H9	119.7°	119.9°
C12	C13	H10	119.8°	120.0°
C12	C11	C10	118.6°	119.9°
C12	C11	H8	120.7°	120.0°
C11	C12	H9	119.7°	120.0°
C13	C14	C9	119.9°	120.0°
C14	C13	H10	119.8°	120.0°
C13	C14	H11	120.1°	120.0°
C11	C10	C9	122.5°	120.0°
C11	C10	F1	118.0°	120.0°
C10	C11	H8	120.7°	120.1°
C14	C9	C10	118.1°	120.0°
C14	C9	C8	120.9°	120.0°
C9	C14	H11	120.0°	119.9°
C9	C10	F1	119.5°	120.0°
C10	C9	C8	121.0°	120.0°
C9	C8	C15	111.3°	109.5°
C9	C8	C7	110.2°	109.5°
C9	C8	H7	107.5°	109.5°
C8	C15	C4	109.2°	108.5°
C15	C8	C7	112.8°	109.8°
C15	C8	H7	107.3°	109.2°
C8	C15	H12	109.6°	109.7°
C8	C15	H13	109.6°	109.7°
C15	C4	O3	122.7°	127.6°
C15	C4	C5	126.7°	123.6°
C4	C15	H12	109.5°	109.3°
C4	C15	H13	109.5°	109.9°
C8	C7	C6	115.5°	109.4°
C8	C7	H5	107.9°	109.5°
C8	C7	H6	107.9°	109.5°
C7	C8	H7	107.5°	109.5°
O3	C4	C5	110.6°	108.8°
C4	O3	C3	106.0°	110.9°
C4	C5	C6	122.0°	125.0°
C4	C5	C2	106.5°	106.5°
C7	C6	C5	115.4°	108.3°
C7	C6	H3	108.0°	109.6°
C7	C6	H4	108.0°	109.7°
C6	C7	H5	107.9°	109.5°
C6	C7	H6	108.0°	109.5°
O3	C3	C2	109.9°	108.4°
O3	C3	H2	125.1°	125.7°
C6	C5	C2	131.5°	128.5°
C5	C6	H3	108.0°	109.7°
C5	C6	H4	108.0°	109.7°
C5	C2	C3	107.0°	105.3°
C5	C2	C1	129.2°	127.4°
C3	C2	C1	123.8°	127.3°
C2	C3	H2	125.1°	125.8°
C2	C1	O2	117.5°	120.0°
C2	C1	O1	121.3°	120.0°
O2	C1	O1	121.2°	120.0°
C1	O1	H1	109.5°	116.9°
H3	C6	H4	109.4°	109.7°
H5	C7	H6	109.4°	109.5°
H12	C15	H13	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	H9	180.0°	179.8°
C12	C13	C14	H10	180.0°	179.8°
C13	C12	C11	C10	0.5°	0.1°
C12	C13	C14	C9	0.8°	0.5°
C13	C12	C11	H8	179.5°	180.0°
C12	C13	C14	H11	179.2°	180.0°
C11	C12	C13	C14	0.7°	0.2°
C12	C11	C10	H8	180.0°	179.9°
C12	C11	C10	C9	0.6°	0.1°
C12	C11	C10	F1	180.0°	180.0°
C11	C12	C13	H10	179.4°	180.0°
C13	C14	C9	H11	180.0°	179.5°
C13	C14	C9	C10	0.9°	0.5°
C13	C14	C9	C8	179.3°	179.7°
C14	C13	C12	H9	179.4°	180.0°
C11	C10	C9	C14	0.8°	0.2°
C11	C10	C9	F1	179.4°	179.9°
C11	C10	C9	C8	179.1°	180.0°
C10	C11	C12	H9	179.5°	179.7°
C14	C9	C10	C8	178.4°	179.8°
C14	C9	C10	F1	179.8°	179.7°
C14	C9	C8	C15	31.4°	60.6°
C14	C9	C8	C7	94.5°	59.8°
C14	C9	C8	H7	148.6°	179.7°
C9	C14	C13	H10	179.2°	179.7°
C10	C9	C8	C15	150.3°	119.6°
C10	C9	C8	C7	83.9°	120.0°
C10	C9	C8	H7	33.0°	0.0°
C9	C10	C11	H8	179.4°	180.0°
C10	C9	C14	H11	179.1°	180.0°
F1	C10	C9	C8	1.4°	0.1°
F1	C10	C11	H8	0.0°	0.1°
C9	C8	C15	C7	124.4°	120.2°
C9	C8	C15	H7	117.4°	119.8°
C9	C8	C15	C4	168.3°	170.0°
C9	C8	C7	H7	116.9°	120.0°
C9	C8	C7	C6	174.1°	170.1°
C9	C8	C7	H5	53.2°	50.1°
C9	C8	C7	H6	65.0°	69.9°
C8	C9	C14	H11	0.7°	0.2°
C9	C8	C15	H12	71.8°	50.7°
C9	C8	C15	H13	48.3°	70.0°
C8	C15	C4	H12	120.0°	119.6°
C8	C15	C4	H13	120.0°	119.9°
C15	C8	C7	H7	118.1°	119.8°
C8	C15	C4	O3	158.5°	163.2°
C8	C15	C4	C5	22.2°	16.4°
C15	C8	C7	C6	49.1°	69.7°
C15	C8	C7	H5	71.8°	170.3°
C15	C8	C7	H6	170.0°	50.3°
C8	C15	H12	H13	120.2°	120.6°
C4	C15	C8	C7	43.9°	49.8°
C15	C4	O3	C5	179.4°	179.6°
C15	C4	O3	C3	179.9°	179.9°
C15	C4	C5	C6	1.3°	0.4°
C15	C4	C5	C2	179.9°	180.0°
C4	C15	C8	H7	74.3°	70.2°
C4	C15	H12	H13	120.1°	120.5°
C8	C7	C6	H5	120.9°	120.0°
C8	C7	C6	H6	120.9°	120.0°
C8	C7	C6	C5	27.5°	49.3°
C8	C7	C6	H3	148.4°	70.4°
C8	C7	C6	H4	93.4°	169.0°
C8	C7	H5	H6	117.2°	120.0°
C7	C8	C15	H12	163.9°	69.5°
C7	C8	C15	H13	76.0°	169.8°
O3	C4	C5	C6	179.3°	179.9°
O3	C4	C5	C2	0.7°	0.4°
C4	O3	C3	C2	0.1°	0.0°
C4	O3	C3	H2	179.9°	180.0°
O3	C4	C15	H12	38.5°	77.2°
O3	C4	C15	H13	81.5°	43.3°
C4	C5	C6	C7	3.3°	16.2°
C5	C4	O3	C3	0.5°	0.2°
C4	C5	C6	C2	178.2°	179.4°
C4	C5	C2	C3	0.6°	0.4°
C4	C5	C2	C1	179.9°	179.8°
C4	C5	C6	H3	124.2°	103.5°
C4	C5	C6	H4	117.6°	135.9°
C5	C4	C15	H12	142.1°	103.2°
C5	C4	C15	H13	97.8°	136.3°
C7	C6	C5	H3	120.9°	119.6°
C7	C6	C5	H4	120.9°	119.8°
C7	C6	C5	C2	178.5°	163.3°
C7	C6	H3	H4	117.3°	120.6°
C6	C7	H5	H6	117.3°	120.0°
C6	C7	C8	H7	69.0°	50.1°
O3	C3	C2	C5	0.3°	0.2°
O3	C3	C2	H2	180.0°	180.0°
O3	C3	C2	C1	179.7°	179.9°
C6	C5	C2	C3	179.0°	179.9°
C6	C5	C2	C1	1.7°	0.3°
C5	C6	H3	H4	117.3°	120.6°
C5	C6	C7	H5	93.4°	169.2°
C5	C6	C7	H6	148.4°	70.7°
C5	C2	C3	C1	179.4°	179.9°
C5	C2	C1	O2	167.1°	0.2°
C5	C2	C1	O1	14.0°	179.7°
C5	C2	C3	H2	179.7°	179.8°
C2	C5	C6	H3	57.6°	77.1°
C2	C5	C6	H4	60.6°	43.5°
C3	C2	C1	O2	13.6°	180.0°
C3	C2	C1	O1	165.2°	0.1°
C2	C1	O2	O1	178.9°	179.9°
C2	C1	O1	H1	178.9°	179.9°
C1	C2	C3	H2	0.3°	0.1°
O2	C1	O1	H1	0.0°	0.0°
H3	C6	C7	H5	27.5°	49.6°
H3	C6	C7	H6	90.7°	169.6°
H4	C6	C7	H5	145.7°	71.0°
H4	C6	C7	H6	27.5°	49.0°
H5	C7	C8	H7	170.1°	69.9°
H6	C7	C8	H7	51.9°	170.1°
H7	C8	C15	H12	45.6°	170.5°
H7	C8	C15	H13	165.7°	49.9°
H8	C11	C12	H9	0.5°	0.2°
H9	C12	C13	H10	0.6°	0.2°
H10	C13	C14	H11	0.8°	0.2°

Release date:	2026-05-20
Definition date:	2025-03-24
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	7I97