Summary Geometry PCM/PTM Related PDB entries

A1B6R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C10	doub	1.22Å	1.25Å
O1	C10	sing	1.35Å	1.25Å
C10	C9	sing	1.47Å	1.49Å
C9	C11	doub	1.37Å	1.35Å	Aromatic
C9	C8	sing	1.46Å	1.44Å	Aromatic
C11	O3	sing	1.34Å	1.37Å	Aromatic
C8	C7	sing	1.50Å	1.51Å
C8	C12	doub	1.34Å	1.35Å	Aromatic
C7	C6	sing	1.53Å	1.55Å
O3	C12	sing	1.34Å	1.37Å	Aromatic
C12	C13	sing	1.51Å	1.48Å
C6	C5	sing	1.53Å	1.49Å
C13	C5	sing	1.53Å	1.54Å
C5	C4	sing	1.51Å	1.52Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C14	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.37Å	Aromatic
C15	C1	sing	1.38Å	1.37Å	Aromatic
C1	CL1	sing	1.74Å	1.74Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C11	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C10	O1	121.2°	120.1°
O2	C10	C9	119.2°	120.0°
O1	C10	C9	119.6°	119.9°
C10	O1	H8	109.5°	116.9°
C10	C9	C11	126.7°	127.3°
C10	C9	C8	128.6°	127.3°
C11	C9	C8	104.6°	105.3°
C9	C11	O3	111.6°	108.4°
C9	C11	H9	124.2°	125.8°
C9	C8	C7	129.1°	128.5°
C9	C8	C12	108.0°	106.5°
C11	O3	C12	106.4°	110.9°
O3	C11	H9	124.2°	125.7°
C7	C8	C12	122.8°	125.0°
C8	C7	C6	105.8°	108.3°
C8	C7	H6	110.4°	109.7°
C8	C7	H7	110.4°	109.7°
C8	C12	O3	109.4°	108.8°
C8	C12	C13	126.9°	123.6°
C7	C6	C5	110.0°	109.3°
C7	C6	H4	109.3°	109.5°
C7	C6	H5	109.3°	109.6°
C6	C7	H6	110.4°	109.7°
C6	C7	H7	110.4°	109.6°
O3	C12	C13	123.8°	127.6°
C12	C13	C5	105.6°	108.5°
C12	C13	H10	110.4°	109.6°
C12	C13	H11	110.4°	109.6°
C6	C5	C13	106.4°	109.6°
C6	C5	C4	110.0°	109.5°
C6	C5	H3	107.6°	109.5°
C5	C6	H4	109.3°	109.5°
C5	C6	H5	109.3°	109.5°
C13	C5	C4	118.1°	109.4°
C13	C5	H3	107.0°	109.4°
C5	C13	H10	110.5°	109.7°
C5	C13	H11	110.5°	109.6°
C5	C4	C3	121.8°	120.0°
C5	C4	C14	120.1°	119.9°
C4	C5	H3	107.3°	109.4°
C3	C4	C14	118.0°	120.0°
C4	C3	C2	121.3°	120.0°
C4	C3	H2	119.4°	120.0°
C4	C14	C15	121.2°	120.0°
C4	C14	H12	119.4°	120.0°
C3	C2	C1	119.0°	120.0°
C3	C2	H1	120.5°	120.0°
C2	C3	H2	119.3°	120.0°
C14	C15	C1	119.3°	119.9°
C15	C14	H12	119.4°	120.0°
C14	C15	H13	120.4°	120.0°
C2	C1	C15	121.2°	120.0°
C2	C1	CL1	119.8°	120.0°
C1	C2	H1	120.5°	120.0°
C15	C1	CL1	119.0°	120.0°
C1	C15	H13	120.4°	120.0°
H4	C6	H5	109.5°	109.5°
H6	C7	H7	109.5°	109.7°
H10	C13	H11	109.4°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C10	O1	C9	179.3°	180.0°
O2	C10	C9	C11	23.0°	180.0°
O2	C10	C9	C8	157.6°	0.1°
O2	C10	O1	H8	0.0°	0.0°
O1	C10	C9	C11	156.3°	0.0°
O1	C10	C9	C8	23.1°	180.0°
C10	C9	C11	C8	179.5°	180.0°
C10	C9	C11	O3	179.8°	180.0°
C10	C9	C8	C7	1.2°	0.1°
C10	C9	C8	C12	179.9°	179.9°
C9	C10	O1	H8	179.3°	179.9°
C10	C9	C11	H9	0.2°	0.0°
C9	C11	O3	H9	180.0°	180.0°
C11	C9	C8	C7	179.3°	180.0°
C11	C9	C8	C12	0.6°	0.1°
C9	C11	O3	C12	0.1°	0.0°
C8	C9	C11	O3	0.3°	0.0°
C9	C8	C7	C12	178.5°	180.0°
C9	C8	C7	C6	165.3°	163.9°
C9	C8	C12	O3	0.7°	0.1°
C9	C8	C12	C13	179.9°	179.8°
C9	C8	C7	H6	45.9°	76.4°
C9	C8	C7	H7	75.3°	44.2°
C8	C9	C11	H9	179.7°	180.0°
C11	O3	C12	C8	0.5°	0.1°
C11	O3	C12	C13	179.7°	179.8°
C8	C7	C6	H6	119.4°	119.8°
C8	C7	C6	H7	119.4°	119.7°
C7	C8	C12	O3	179.5°	179.9°
C7	C8	C12	C13	1.4°	0.1°
C8	C7	C6	C5	51.1°	49.3°
C8	C7	C6	H4	69.0°	169.2°
C8	C7	C6	H5	171.1°	70.7°
C8	C7	H6	H7	121.7°	120.6°
C12	C8	C7	C6	13.2°	16.2°
C8	C12	O3	C13	179.2°	179.9°
C8	C12	C13	C5	19.7°	16.9°
C12	C8	C7	H6	132.6°	103.6°
C12	C8	C7	H7	106.2°	135.8°
C8	C12	C13	H10	139.1°	102.9°
C8	C12	C13	H11	99.7°	136.6°
C7	C6	C5	H4	120.1°	119.9°
C7	C6	C5	H5	120.0°	120.0°
C7	C6	C5	C13	76.3°	69.9°
C7	C6	C5	C4	154.7°	170.1°
C7	C6	C5	H3	38.1°	50.1°
C7	C6	H4	H5	119.7°	120.1°
C6	C7	H6	H7	121.7°	120.5°
O3	C12	C13	C5	159.3°	163.0°
C12	O3	C11	H9	179.9°	180.0°
O3	C12	C13	H10	39.9°	77.2°
O3	C12	C13	H11	81.3°	43.3°
C12	C13	C5	C6	55.3°	50.2°
C12	C13	C5	H10	119.4°	119.7°
C12	C13	C5	H11	119.4°	119.7°
C12	C13	C5	C4	179.5°	170.3°
C12	C13	C5	H3	59.5°	69.8°
C12	C13	H10	H11	121.7°	120.5°
C6	C5	C13	C4	124.2°	120.1°
C6	C5	C13	H3	114.8°	120.0°
C6	C5	C4	H3	116.7°	120.0°
C6	C5	C4	C3	18.5°	119.9°
C6	C5	C4	C14	158.0°	60.0°
C5	C6	H4	H5	119.8°	120.0°
C5	C6	C7	H6	170.5°	70.5°
C5	C6	C7	H7	68.4°	169.0°
C6	C5	C13	H10	174.7°	69.5°
C6	C5	C13	H11	64.1°	169.9°
C13	C5	C4	H3	120.9°	119.9°
C13	C5	C4	C3	103.9°	119.9°
C13	C5	C4	C14	79.6°	60.1°
C13	C5	C6	H4	43.8°	170.2°
C13	C5	C6	H5	163.6°	50.1°
C5	C13	H10	H11	121.8°	120.5°
C5	C4	C3	C14	176.6°	179.9°
C5	C4	C3	C2	178.2°	180.0°
C5	C4	C14	C15	178.4°	179.7°
C5	C4	C3	H2	1.8°	0.1°
C4	C5	C6	H4	85.3°	50.2°
C4	C5	C6	H5	34.6°	69.9°
C4	C5	C13	H10	61.1°	50.6°
C4	C5	C13	H11	60.1°	70.0°
C5	C4	C14	H12	1.7°	0.0°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C14	C15	1.7°	0.3°
C4	C3	C2	C1	0.9°	0.1°
C4	C3	C2	H1	179.1°	180.0°
C3	C4	C5	H3	135.2°	0.1°
C3	C4	C14	H12	178.3°	180.0°
C14	C4	C3	C2	1.7°	0.1°
C4	C14	C15	H12	180.0°	179.7°
C4	C14	C15	C1	1.0°	0.6°
C14	C4	C3	H2	178.4°	180.0°
C14	C4	C5	H3	41.3°	180.0°
C4	C14	C15	H13	179.0°	180.0°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	C15	0.1°	0.2°
C3	C2	C1	CL1	179.9°	180.0°
C14	C15	C1	C2	0.2°	0.5°
C14	C15	C1	H13	180.0°	179.4°
C14	C15	C1	CL1	179.8°	179.7°
C2	C1	C15	CL1	180.0°	179.8°
C1	C2	C3	H2	179.2°	180.0°
C2	C1	C15	H13	179.8°	180.0°
C15	C1	C2	H1	179.9°	179.7°
C1	C15	C14	H12	179.0°	179.7°
CL1	C1	C2	H1	0.1°	0.0°
CL1	C1	C15	H13	0.2°	0.3°
H1	C2	C3	H2	0.8°	0.0°
H3	C5	C6	H4	158.2°	69.8°
H3	C5	C6	H5	81.9°	170.1°
H3	C5	C13	H10	59.9°	170.5°
H3	C5	C13	H11	178.9°	49.9°
H4	C6	C7	H6	50.4°	49.4°
H4	C6	C7	H7	171.6°	71.1°
H5	C6	C7	H6	69.5°	169.5°
H5	C6	C7	H7	51.7°	49.0°
H12	C14	C15	H13	1.0°	0.3°

Release date:	2026-05-20
Definition date:	2025-03-24
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	7I9A