Summary Geometry PCM/PTM Related PDB entries

A1B6J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.21Å
O3	C1	sing	1.35Å	1.21Å
C1	C2	sing	1.47Å	1.46Å
C2	C3	doub	1.37Å	1.35Å	Aromatic
C2	C5	sing	1.46Å	1.40Å	Aromatic
C3	O2	sing	1.34Å	1.37Å	Aromatic
C5	C6	sing	1.50Å	1.51Å
C5	C4	doub	1.34Å	1.34Å	Aromatic
C6	C7	sing	1.53Å	1.54Å
O2	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
C9	C14	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.08Å	1.08Å
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
O3	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O3	120.6°	120.0°
O1	C1	C2	119.4°	120.0°
O3	C1	C2	120.0°	120.0°
C1	O3	H14	109.5°	117.0°
C1	C2	C3	125.4°	127.3°
C1	C2	C5	127.9°	127.3°
C3	C2	C5	106.7°	105.4°
C2	C3	O2	109.9°	108.4°
C2	C3	H1	125.1°	125.8°
C2	C5	C6	129.5°	128.6°
C2	C5	C4	107.1°	106.5°
C3	O2	C4	106.3°	110.9°
O2	C3	H1	125.0°	125.8°
C6	C5	C4	123.4°	124.9°
C5	C6	C7	106.5°	108.4°
C5	C6	H2	110.2°	109.7°
C5	C6	H3	110.2°	109.7°
C5	C4	O2	109.9°	108.8°
C5	C4	C15	126.6°	123.6°
C6	C7	C8	110.7°	109.3°
C7	C6	H2	110.2°	109.7°
C7	C6	H3	110.2°	109.7°
C6	C7	H4	109.2°	109.5°
C6	C7	H5	109.2°	109.5°
O2	C4	C15	123.5°	127.5°
C4	C15	C8	106.8°	108.5°
C4	C15	H12	110.1°	109.6°
C4	C15	H13	110.1°	109.7°
C7	C8	C15	109.6°	109.8°
C7	C8	C9	112.2°	109.5°
C8	C7	H4	109.1°	109.5°
C8	C7	H5	109.2°	109.5°
C7	C8	H6	107.0°	109.5°
C15	C8	C9	114.1°	109.5°
C15	C8	H6	106.7°	109.1°
C8	C15	H12	110.1°	110.1°
C8	C15	H13	110.1°	109.1°
C8	C9	C14	120.6°	119.9°
C8	C9	C10	121.2°	120.0°
C9	C8	H6	106.8°	109.5°
C14	C9	C10	118.1°	120.0°
C9	C14	C13	121.0°	120.0°
C9	C14	H11	119.5°	120.0°
C9	C10	C11	121.0°	120.0°
C9	C10	H7	119.5°	120.0°
C14	C13	C12	120.1°	120.0°
C14	C13	H10	120.0°	120.0°
C13	C14	H11	119.5°	120.0°
C10	C11	C12	120.1°	120.0°
C11	C10	H7	119.5°	120.0°
C10	C11	H8	119.9°	120.0°
C13	C12	C11	119.8°	120.0°
C13	C12	H9	120.1°	120.1°
C12	C13	H10	119.9°	120.0°
C12	C11	H8	120.0°	120.0°
C11	C12	H9	120.1°	120.0°
H2	C6	H3	109.5°	109.7°
H4	C7	H5	109.5°	109.5°
H12	C15	H13	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O3	C2	178.4°	179.7°
O1	C1	C2	C3	28.4°	180.0°
O1	C1	C2	C5	152.3°	0.3°
O1	C1	O3	H14	0.0°	0.0°
O3	C1	C2	C3	150.0°	0.3°
O3	C1	C2	C5	29.3°	180.0°
C1	C2	C3	C5	179.4°	179.8°
C1	C2	C3	O2	179.6°	180.0°
C1	C2	C5	C6	0.4°	0.1°
C1	C2	C5	C4	179.7°	179.8°
C1	C2	C3	H1	0.4°	0.0°
C2	C1	O3	H14	178.4°	179.7°
C2	C3	O2	H1	180.0°	180.0°
C3	C2	C5	C6	179.7°	179.7°
C3	C2	C5	C4	0.4°	0.4°
C2	C3	O2	C4	0.0°	0.1°
C5	C2	C3	O2	0.2°	0.2°
C2	C5	C6	C4	179.9°	179.9°
C2	C5	C6	C7	164.3°	163.8°
C2	C5	C4	O2	0.4°	0.4°
C2	C5	C4	C15	179.4°	179.8°
C5	C2	C3	H1	179.8°	179.8°
C2	C5	C6	H2	44.8°	44.1°
C2	C5	C6	H3	76.1°	76.5°
C3	O2	C4	C5	0.3°	0.3°
C3	O2	C4	C15	179.3°	179.9°
C5	C6	C7	H2	119.5°	119.7°
C5	C6	C7	H3	119.5°	119.7°
C6	C5	C4	O2	179.7°	179.6°
C6	C5	C4	C15	0.7°	0.2°
C5	C6	C7	C8	50.0°	49.2°
C5	C6	H2	H3	121.3°	120.5°
C5	C6	C7	H4	70.1°	70.7°
C5	C6	C7	H5	170.2°	169.2°
C4	C5	C6	C7	15.5°	16.3°
C5	C4	O2	C15	179.0°	179.8°
C5	C4	C15	C8	16.1°	16.6°
C4	C5	C6	H2	135.1°	136.0°
C4	C5	C6	H3	104.0°	103.4°
C5	C4	C15	H12	135.7°	136.9°
C5	C4	C15	H13	103.5°	102.4°
C6	C7	C8	H4	120.2°	119.9°
C6	C7	C8	H5	120.2°	120.0°
C6	C7	C8	C15	71.5°	69.6°
C6	C7	C8	C9	160.7°	170.2°
C7	C6	H2	H3	121.4°	120.5°
C6	C7	H4	H5	119.5°	120.1°
C6	C7	C8	H6	43.8°	50.2°
O2	C4	C15	C8	162.8°	163.6°
C4	O2	C3	H1	180.0°	180.0°
O2	C4	C15	H12	43.2°	43.3°
O2	C4	C15	H13	77.6°	77.3°
C4	C15	C8	C7	49.9°	49.9°
C4	C15	C8	H12	119.6°	120.0°
C4	C15	C8	H13	119.6°	119.4°
C4	C15	C8	C9	176.7°	170.1°
C4	C15	C8	H6	65.6°	70.1°
C4	C15	H12	H13	121.2°	120.5°
C7	C8	C15	C9	126.8°	120.2°
C7	C8	C15	H6	115.5°	120.0°
C7	C8	C9	H6	117.0°	120.0°
C7	C8	C9	C14	6.7°	120.0°
C7	C8	C9	C10	170.6°	59.7°
C8	C7	C6	H2	169.6°	168.9°
C8	C7	C6	H3	69.5°	70.5°
C8	C7	H4	H5	119.4°	120.1°
C7	C8	C15	H12	169.5°	169.9°
C7	C8	C15	H13	69.7°	69.5°
C15	C8	C9	H6	117.6°	119.6°
C15	C8	C9	C14	118.7°	119.6°
C15	C8	C9	C10	64.0°	60.7°
C15	C8	C7	H4	48.7°	50.3°
C15	C8	C7	H5	168.3°	170.4°
C8	C15	H12	H13	121.2°	120.2°
C8	C9	C14	C10	177.4°	179.7°
C8	C9	C14	C13	178.8°	179.8°
C8	C9	C10	C11	178.6°	179.9°
C9	C8	C7	H4	79.2°	69.9°
C9	C8	C7	H5	40.5°	50.2°
C8	C9	C10	H7	1.4°	0.0°
C8	C9	C14	H11	1.2°	0.1°
C9	C8	C15	H12	63.8°	69.9°
C9	C8	C15	H13	57.1°	50.7°
C9	C14	C13	H11	180.0°	179.7°
C14	C9	C10	C11	1.3°	0.2°
C9	C14	C13	C12	0.8°	0.5°
C14	C9	C8	H6	123.7°	0.0°
C14	C9	C10	H7	178.7°	179.7°
C9	C14	C13	H10	179.2°	179.7°
C10	C9	C14	C13	1.4°	0.5°
C9	C10	C11	H7	180.0°	179.9°
C9	C10	C11	C12	0.6°	0.1°
C10	C9	C8	H6	53.6°	179.7°
C9	C10	C11	H8	179.4°	179.9°
C10	C9	C14	H11	178.6°	179.8°
C14	C13	C12	H10	180.0°	179.7°
C14	C13	C12	C11	0.1°	0.2°
C14	C13	C12	H9	179.9°	179.8°
C10	C11	C12	C13	0.0°	0.1°
C10	C11	C12	H8	180.0°	179.9°
C10	C11	C12	H9	179.9°	179.9°
C13	C12	C11	H9	180.0°	180.0°
C13	C12	C11	H8	180.0°	179.9°
C12	C13	C14	H11	179.1°	179.7°
C12	C11	C10	H7	179.4°	180.0°
C11	C12	C13	H10	179.9°	180.0°
H2	C6	C7	H4	49.4°	49.0°
H2	C6	C7	H5	70.3°	71.1°
H3	C6	C7	H4	170.3°	169.6°
H3	C6	C7	H5	50.7°	49.5°
H4	C7	C8	H6	164.0°	170.1°
H5	C7	C8	H6	76.4°	69.8°
H6	C8	C15	H12	53.9°	49.9°
H6	C8	C15	H13	174.8°	170.5°
H7	C10	C11	H8	0.6°	0.1°
H8	C11	C12	H9	0.0°	0.0°
H9	C12	C13	H10	0.1°	0.1°
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:	7I9I