Summary Geometry PCM/PTM Related PDB entries

A1B6W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C1	doub	1.22Å	1.21Å
O1	C1	sing	1.35Å	1.21Å
C1	C2	sing	1.47Å	1.45Å
C2	C3	doub	1.37Å	1.35Å	Aromatic
C2	C5	sing	1.46Å	1.40Å	Aromatic
C3	O3	sing	1.34Å	1.37Å	Aromatic
C5	C6	sing	1.51Å	1.52Å
C5	C4	doub	1.34Å	1.35Å	Aromatic
C6	C7	sing	1.53Å	1.54Å
O3	C4	sing	1.34Å	1.37Å	Aromatic
C4	C15	sing	1.51Å	1.48Å
C7	C8	sing	1.53Å	1.50Å
C15	C8	sing	1.53Å	1.53Å
C8	C9	sing	1.51Å	1.51Å
CL1	C10	sing	1.74Å	1.73Å
C9	C14	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.35Å	Aromatic
C13	C12	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C11	CL2	sing	1.74Å	1.73Å
C13	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
C3	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	O1	120.6°	120.0°
O2	C1	C2	118.8°	120.0°
O1	C1	C2	120.6°	120.0°
C1	O1	H5	109.5°	117.0°
C1	C2	C3	125.2°	127.3°
C1	C2	C5	127.9°	127.4°
C3	C2	C5	106.8°	105.3°
C2	C3	O3	109.9°	108.5°
C2	C3	H6	125.1°	125.8°
C2	C5	C6	129.4°	128.5°
C2	C5	C4	107.0°	106.5°
C3	O3	C4	106.2°	110.9°
O3	C3	H6	125.0°	125.7°
C6	C5	C4	123.5°	125.0°
C5	C6	C7	105.6°	108.3°
C5	C6	H7	110.4°	109.7°
C5	C6	H8	110.4°	109.7°
C5	C4	O3	110.0°	108.9°
C5	C4	C15	126.5°	123.6°
C6	C7	C8	109.9°	109.4°
C7	C6	H7	110.4°	109.7°
C7	C6	H8	110.4°	109.7°
C6	C7	H9	109.4°	109.5°
C6	C7	H10	109.4°	109.5°
O3	C4	C15	123.5°	127.6°
C4	C15	C8	106.2°	108.4°
C4	C15	H3	110.3°	109.6°
C4	C15	H4	110.3°	109.8°
C7	C8	C15	108.7°	109.6°
C7	C8	C9	112.2°	109.5°
C8	C7	H9	109.4°	109.5°
C8	C7	H10	109.4°	109.5°
C7	C8	H11	107.3°	109.4°
C15	C8	C9	114.1°	109.4°
C8	C15	H3	110.3°	109.7°
C8	C15	H4	110.3°	109.7°
C15	C8	H11	107.0°	109.4°
C8	C9	C14	122.2°	120.0°
C8	C9	C10	120.5°	120.0°
C9	C8	H11	107.2°	109.5°
CL1	C10	C9	118.3°	120.0°
CL1	C10	C11	119.3°	120.0°
C14	C9	C10	117.2°	120.0°
C9	C14	C13	120.9°	120.1°
C9	C14	H2	119.6°	119.9°
C9	C10	C11	122.2°	119.9°
C14	C13	C12	120.0°	120.0°
C14	C13	H1	120.0°	120.0°
C13	C14	H2	119.5°	120.0°
C10	C11	C12	120.0°	120.0°
C10	C11	CL2	122.6°	120.0°
C13	C12	C11	119.6°	120.0°
C12	C13	H1	120.0°	120.0°
C13	C12	H12	120.2°	120.0°
C12	C11	CL2	117.4°	120.0°
C11	C12	H12	120.2°	120.1°
H3	C15	H4	109.5°	109.7°
H7	C6	H8	109.5°	109.8°
H9	C7	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	O1	C2	178.0°	180.0°
O2	C1	C2	C3	9.2°	180.0°
O2	C1	C2	C5	170.3°	0.0°
O2	C1	O1	H5	0.0°	0.0°
O1	C1	C2	C3	168.9°	0.0°
O1	C1	C2	C5	11.6°	180.0°
C1	C2	C3	C5	179.6°	180.0°
C1	C2	C3	O3	179.2°	180.0°
C1	C2	C5	C6	2.9°	0.0°
C1	C2	C5	C4	178.9°	180.0°
C2	C1	O1	H5	178.0°	180.0°
C1	C2	C3	H6	0.8°	0.1°
C2	C3	O3	H6	180.0°	180.0°
C3	C2	C5	C6	177.5°	179.9°
C3	C2	C5	C4	1.5°	0.1°
C2	C3	O3	C4	0.3°	0.1°
C5	C2	C3	O3	1.2°	0.0°
C2	C5	C6	C4	175.4°	180.0°
C2	C5	C6	C7	167.1°	163.8°
C2	C5	C4	O3	1.3°	0.1°
C2	C5	C4	C15	178.4°	179.9°
C5	C2	C3	H6	178.9°	180.0°
C2	C5	C6	H7	47.7°	44.2°
C2	C5	C6	H8	73.5°	76.5°
C3	O3	C4	C5	0.7°	0.1°
C3	O3	C4	C15	179.1°	179.9°
C5	C6	C7	H7	119.4°	119.7°
C5	C6	C7	H8	119.4°	119.7°
C6	C5	C4	O3	177.6°	179.9°
C6	C5	C4	C15	2.1°	0.1°
C5	C6	C7	C8	51.8°	49.2°
C5	C6	H7	H8	121.8°	120.6°
C5	C6	C7	H9	68.3°	70.8°
C5	C6	C7	H10	171.9°	169.2°
C4	C5	C6	C7	17.6°	16.1°
C5	C4	O3	C15	179.7°	180.0°
C5	C4	C15	C8	19.0°	17.0°
C5	C4	C15	H3	138.4°	136.6°
C5	C4	C15	H4	100.5°	102.9°
C4	C5	C6	H7	137.0°	135.8°
C4	C5	C6	H8	101.8°	103.5°
C6	C7	C8	H9	120.1°	120.0°
C6	C7	C8	H10	120.1°	120.0°
C6	C7	C8	C15	74.0°	69.9°
C6	C7	C8	C9	158.9°	170.1°
C7	C6	H7	H8	121.8°	120.6°
C6	C7	H9	H10	119.8°	120.0°
C6	C7	C8	H11	41.3°	50.1°
O3	C4	C15	C8	160.7°	163.0°
O3	C4	C15	H3	41.3°	43.4°
O3	C4	C15	H4	79.8°	77.1°
C4	O3	C3	H6	179.7°	179.9°
C4	C15	C8	C7	52.4°	50.3°
C4	C15	C8	H3	119.5°	119.6°
C4	C15	C8	H4	119.5°	119.9°
C4	C15	C8	C9	178.4°	170.3°
C4	C15	H3	H4	121.5°	120.6°
C4	C15	C8	H11	63.2°	69.7°
C7	C8	C15	C9	126.0°	120.1°
C7	C8	C15	H11	115.6°	120.0°
C7	C8	C9	H11	117.6°	119.9°
C7	C8	C9	C14	103.3°	60.1°
C7	C8	C9	C10	74.9°	119.9°
C7	C8	C15	H3	171.8°	169.9°
C7	C8	C15	H4	67.1°	69.7°
C8	C7	C6	H7	171.2°	168.9°
C8	C7	C6	H8	67.6°	70.5°
C8	C7	H9	H10	119.8°	120.0°
C15	C8	C9	H11	118.3°	119.9°
C15	C8	C9	C14	132.6°	60.0°
C15	C8	C9	C10	49.2°	120.0°
C8	C15	H3	H4	121.5°	120.5°
C15	C8	C7	H9	46.0°	50.1°
C15	C8	C7	H10	165.9°	170.2°
C8	C9	C10	CL1	3.2°	0.2°
C8	C9	C14	C10	178.3°	179.9°
C8	C9	C14	C13	178.8°	180.0°
C8	C9	C10	C11	177.5°	180.0°
C8	C9	C14	H2	1.2°	0.1°
C9	C8	C15	H3	62.1°	70.1°
C9	C8	C15	H4	58.9°	50.4°
C9	C8	C7	H9	81.1°	69.9°
C9	C8	C7	H10	38.8°	50.1°
CL1	C10	C9	C14	175.1°	179.7°
CL1	C10	C9	C11	174.3°	179.7°
CL1	C10	C11	C12	176.2°	179.7°
CL1	C10	C11	CL2	2.7°	0.2°
C9	C14	C13	H2	180.0°	179.9°
C14	C9	C10	C11	0.8°	0.1°
C9	C14	C13	C12	0.7°	0.1°
C9	C14	C13	H1	179.3°	180.0°
C14	C9	C8	H11	14.3°	179.9°
C10	C9	C14	C13	0.5°	0.1°
C9	C10	C11	C12	1.9°	0.0°
C9	C10	C11	CL2	177.0°	180.0°
C10	C9	C14	H2	179.5°	180.0°
C10	C9	C8	H11	167.5°	0.0°
C14	C13	C12	H1	180.0°	180.0°
C14	C13	C12	C11	0.4°	0.0°
C14	C13	C12	H12	179.6°	180.0°
C10	C11	C12	C13	1.7°	0.0°
C10	C11	C12	CL2	179.0°	179.9°
C10	C11	C12	H12	178.3°	180.0°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	CL2	177.3°	180.0°
C12	C13	C14	H2	179.3°	180.0°
C11	C12	C13	H1	179.6°	180.0°
CL2	C11	C12	H12	2.7°	0.0°
H1	C13	C14	H2	0.7°	0.1°
H1	C13	C12	H12	0.4°	0.0°
H3	C15	C8	H11	56.3°	49.9°
H4	C15	C8	H11	177.3°	170.3°
H7	C6	C7	H9	51.1°	48.9°
H7	C6	C7	H10	68.8°	71.1°
H8	C6	C7	H9	172.4°	169.5°
H8	C6	C7	H10	52.5°	49.5°
H9	C7	C8	H11	161.4°	170.1°
H10	C7	C8	H11	78.8°	69.8°

Release date:	2026-05-20
Definition date:	2025-03-25
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	7I99