Summary Geometry PCM/PTM Related PDB entries

A1JLW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	doub	0.00Å	1.33Å
C04	C03	sing	0.00Å	1.52Å
C05	C04	sing	0.00Å	1.54Å
C06	C05	doub	0.00Å	1.41Å	Aromatic
C07	C06	sing	0.00Å	1.42Å	Aromatic
C08	C07	doub	0.00Å	1.36Å	Aromatic
C09	C08	sing	0.00Å	1.42Å	Aromatic
C10	C09	doub	0.00Å	1.42Å	Aromatic
B11	C10	sing	0.00Å	1.61Å
O12	B11	sing	0.00Å	1.52Å
C03	C02	sing	0.00Å	1.48Å
O15	C02	sing	0.00Å	1.29Å
C04	O12	sing	0.00Å	1.44Å
C05	C10	sing	0.00Å	1.39Å	Aromatic
C03	H031	sing	0.00Å	1.10Å
C03	H032	sing	0.00Å	1.10Å
C04	H041	sing	0.00Å	1.10Å
C06	H061	sing	0.00Å	1.08Å
C07	H071	sing	0.00Å	1.08Å
C08	H081	sing	0.00Å	1.08Å
C09	H091	sing	0.00Å	1.08Å
O15	H1	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	120.7°	90.0°
O01	C02	O15	114.4°	90.0°
C03	C04	C05	115.6°	90.0°
C04	C03	C02	114.7°	90.0°
C03	C04	O12	111.9°	90.0°
C04	C03	H031	108.2°	90.0°
C04	C03	H032	108.2°	90.0°
C03	C04	H041	107.7°	90.0°
C04	C05	C06	129.2°	90.0°
C05	C04	O12	105.3°	90.0°
C04	C05	C10	109.1°	90.0°
C05	C04	H041	107.4°	90.0°
C05	C06	C07	117.6°	90.0°
C06	C05	C10	121.8°	90.0°
C05	C06	H061	121.2°	90.0°
C06	C07	C08	121.2°	90.0°
C07	C06	H061	121.1°	90.0°
C06	C07	H071	119.4°	90.0°
C07	C08	C09	121.1°	90.0°
C08	C07	H071	119.4°	90.0°
C07	C08	H081	119.5°	90.0°
C08	C09	C10	118.6°	90.0°
C09	C08	H081	119.4°	90.0°
C08	C09	H091	120.7°	90.0°
C09	C10	B11	128.5°	90.0°
C09	C10	C05	119.6°	90.0°
C10	C09	H091	120.7°	90.0°
C10	B11	O12	98.7°	90.0°
B11	C10	C05	111.8°	90.0°
B11	O12	C04	114.8°	90.0°
C03	C02	O15	125.0°	90.0°
C02	C03	H031	108.1°	90.0°
C02	C03	H032	108.2°	90.0°
C02	O15	H1	109.5°	90.0°
O12	C04	H041	108.8°	90.0°
H031	C03	H032	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C04	57.7°	90.0°
O01	C02	C03	O15	179.5°	90.0°
O01	C02	C03	H031	178.4°	90.0°
O01	C02	C03	H032	63.1°	90.0°
O01	C02	O15	H1	0.0°	90.0°
C03	C04	C05	O12	124.0°	90.0°
C03	C04	C05	H041	120.2°	90.0°
C03	C04	C05	C06	59.2°	90.0°
C03	C04	O12	B11	121.4°	90.0°
C04	C03	C02	H031	120.8°	90.0°
C04	C03	C02	H032	120.8°	90.0°
C04	C03	C02	O15	121.8°	90.0°
C03	C04	O12	H041	118.8°	90.0°
C03	C04	C05	C10	120.6°	90.0°
C04	C03	H031	H032	117.6°	90.0°
C04	C05	C06	C10	179.7°	90.0°
C04	C05	C06	C07	179.6°	90.0°
C04	C05	C10	C09	178.9°	90.0°
C04	C05	C10	B11	0.9°	90.0°
C05	C04	O12	B11	4.9°	90.0°
C05	C04	C03	C02	70.4°	90.0°
C05	C04	O12	H041	114.9°	90.0°
C05	C04	C03	H031	50.3°	90.0°
C05	C04	C03	H032	168.8°	90.0°
C04	C05	C06	H061	0.4°	90.0°
C05	C06	C07	H061	180.0°	90.0°
C05	C06	C07	C08	0.1°	90.0°
C06	C05	C10	C09	1.4°	90.0°
C06	C05	C10	B11	179.3°	90.0°
C06	C05	C04	O12	176.8°	90.0°
C06	C05	C04	H041	61.0°	90.0°
C05	C06	C07	H071	179.9°	90.0°
C06	C07	C08	H071	180.0°	90.0°
C06	C07	C08	C09	0.1°	90.0°
C07	C06	C05	C10	0.7°	90.0°
C06	C07	C08	H081	179.9°	90.0°
C07	C08	C09	H081	180.0°	90.0°
C07	C08	C09	C10	0.5°	90.0°
C08	C07	C06	H061	179.9°	90.0°
C07	C08	C09	H091	179.5°	90.0°
C08	C09	C10	H091	180.0°	90.0°
C08	C09	C10	B11	178.8°	90.0°
C08	C09	C10	C05	1.3°	90.0°
C09	C08	C07	H071	179.8°	90.0°
C09	C10	B11	C05	177.7°	90.0°
C09	C10	B11	O12	175.9°	90.0°
C10	C09	C08	H081	179.5°	90.0°
C10	B11	O12	C04	4.2°	90.0°
B11	C10	C09	H091	1.2°	90.0°
O12	B11	C10	C05	1.8°	90.0°
B11	O12	C04	H041	119.8°	90.0°
C02	C03	C04	O12	169.0°	90.0°
C02	C03	H031	H032	117.6°	90.0°
C02	C03	C04	H041	49.6°	90.0°
C03	C02	O15	H1	179.5°	90.0°
O15	C02	C03	H031	1.1°	90.0°
O15	C02	C03	H032	117.4°	90.0°
O12	C04	C05	C10	3.5°	90.0°
O12	C04	C03	H031	70.2°	90.0°
O12	C04	C03	H032	48.3°	90.0°
C10	C05	C04	H041	119.3°	90.0°
C10	C05	C06	H061	179.3°	90.0°
C05	C10	C09	H091	178.7°	90.0°
H031	C03	C04	H041	170.3°	90.0°
H032	C03	C04	H041	71.2°	90.0°
H061	C06	C07	H071	0.1°	90.0°
H071	C07	C08	H081	0.2°	90.0°
H081	C08	C09	H091	0.6°	90.0°

Release date:	2025-09-17
Definition date:	2025-07-30
Last modified:	2025-09-12
Release status:	REL
Processing site:	PDBE
Derived from:	9S5K