Summary Geometry PCM/PTM Related PDB entries

A1BLE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C01	sing	1.43Å	1.38Å
C01	C06	sing	1.53Å	1.56Å
C01	C02	sing	1.53Å	1.57Å
O12	C06	sing	1.43Å	1.42Å
O12	C17	sing	1.43Å	1.43Å
O10	C02	sing	1.43Å	1.41Å
C06	C05	sing	1.53Å	1.57Å
C02	C03	sing	1.53Å	1.53Å
C05	N07	sing	1.47Å	1.57Å
C05	C04	sing	1.53Å	1.56Å
C03	O09	sing	1.43Å	1.40Å
C03	C04	sing	1.53Å	1.56Å
N07	C19	sing	1.47Å	1.56Å
C19	C20	sing	1.53Å	1.56Å
C20	C21	sing	1.53Å	1.56Å
C23	C22	sing	1.53Å	1.50Å
C21	C22	sing	1.53Å	1.51Å
C21	H21A	sing	1.09Å	1.10Å
C21	H21B	sing	1.09Å	1.10Å
C23	H23B	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C22	H22B	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å
C06	H06	sing	1.09Å	1.10Å
C02	H02	sing	1.09Å	1.10Å
C03	H03	sing	1.09Å	1.10Å
C04	H04	sing	1.09Å	1.10Å
C04	H04B	sing	1.09Å	1.10Å
C05	H05	sing	1.09Å	1.10Å
C01	H01	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
N07	H07	sing	1.01Å	1.00Å
O09	H09	sing	0.97Å	0.95Å
O10	H10	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
C23	C24	sing	1.53Å	62.30Å
C17	C16	sing	1.53Å	62.13Å
C16	C15	sing	1.53Å	0.00Å
C15	C14	sing	1.53Å	0.00Å
C14	C13	sing	1.53Å	0.00Å
C13	C12	sing	1.53Å	0.00Å
C24	H24A	sing	1.09Å	62.42Å
C24	H24B	sing	1.09Å	0.00Å
C24	H24C	sing	1.09Å	0.00Å
C16	H16A	sing	1.09Å	62.88Å
C16	H16B	sing	1.09Å	0.00Å
C15	H15A	sing	1.09Å	0.00Å
C15	H15B	sing	1.09Å	0.00Å
C14	H14B	sing	1.09Å	0.00Å
C14	H14A	sing	1.09Å	0.00Å
C13	H13A	sing	1.09Å	0.00Å
C13	H13B	sing	1.09Å	0.00Å
C12	H12C	sing	1.09Å	0.00Å
C12	H12A	sing	1.09Å	0.00Å
C12	H12B	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C01	C06	103.1°	109.5°
O11	C01	C02	108.2°	109.5°
O11	C01	H01	111.4°	109.5°
C01	O11	H11	109.5°	114.0°
C06	C01	C02	116.1°	109.5°
C01	C06	O12	113.3°	109.5°
C01	C06	C05	110.9°	109.4°
C01	C06	H06	107.0°	109.5°
C06	C01	H01	109.0°	109.5°
C01	C02	O10	107.1°	109.5°
C01	C02	C03	112.7°	109.5°
C01	C02	H02	109.2°	109.5°
C02	C01	H01	108.8°	109.4°
C06	O12	C17	115.8°	114.0°
O12	C06	C05	109.7°	109.5°
O12	C06	H06	108.7°	109.5°
O12	C17	H17B	123.5°	109.4°
O12	C17	H17A	123.5°	109.5°
O12	C17	C16	34.0°	109.5°
O10	C02	C03	106.4°	109.4°
O10	C02	H02	111.6°	109.5°
C02	O10	H10	109.5°	114.0°
C06	C05	N07	113.7°	109.4°
C06	C05	C04	115.4°	109.5°
C05	C06	H06	106.9°	109.5°
C06	C05	H05	106.9°	109.5°
C02	C03	O09	111.2°	109.4°
C02	C03	C04	112.4°	109.5°
C03	C02	H02	109.8°	109.4°
C02	C03	H03	107.9°	109.5°
N07	C05	C04	106.5°	109.5°
C05	N07	C19	113.8°	111.0°
N07	C05	H05	106.9°	109.4°
C05	N07	H07	108.4°	111.0°
C05	C04	C03	113.5°	109.5°
C05	C04	H04	108.4°	109.4°
C05	C04	H04B	108.5°	109.4°
C04	C05	H05	107.0°	109.5°
O09	C03	C04	108.2°	109.5°
O09	C03	H03	109.6°	109.5°
C03	O09	H09	109.5°	114.0°
C04	C03	H03	107.6°	109.5°
C03	C04	H04	108.4°	109.5°
C03	C04	H04B	108.4°	109.5°
N07	C19	C20	113.3°	109.5°
N07	C19	H19A	108.5°	109.5°
N07	C19	H19B	108.5°	109.5°
C19	N07	H07	108.4°	111.0°
C19	C20	C21	116.4°	109.4°
C20	C19	H19A	108.5°	109.4°
C20	C19	H19B	108.5°	109.5°
C19	C20	H20A	107.7°	109.5°
C19	C20	H20B	107.7°	109.5°
C20	C21	C22	117.2°	109.4°
C20	C21	H21A	107.5°	109.5°
C20	C21	H21B	107.5°	109.5°
C21	C20	H20A	107.7°	109.5°
C21	C20	H20B	107.7°	109.5°
C23	C22	C21	111.3°	109.5°
C22	C23	H23B	119.5°	109.5°
C22	C23	H23A	119.6°	109.5°
C23	C22	H22B	109.0°	109.4°
C23	C22	H22A	109.0°	109.4°
C22	C23	C24	62.7°	109.5°
C22	C21	H21A	107.5°	109.5°
C22	C21	H21B	107.5°	109.4°
C21	C22	H22B	109.0°	109.5°
C21	C22	H22A	109.0°	109.5°
H21A	C21	H21B	109.4°	109.5°
H23B	C23	H23A	109.5°	109.4°
H23B	C23	C24	119.5°	109.5°
H23A	C23	C24	119.5°	109.5°
H22B	C22	H22A	109.5°	109.5°
H17B	C17	H17A	109.5°	109.4°
H17B	C17	C16	123.5°	109.5°
H17A	C17	C16	123.5°	109.5°
H19A	C19	H19B	109.5°	109.5°
H04	C04	H04B	109.5°	109.5°
H20A	C20	H20B	109.4°	109.5°
C23	C24	H24A	1.0°	109.5°
C23	C24	H24B	90.0°	109.5°
C23	C24	H24C	90.0°	109.5°
C17	C16	C15	90.0°	109.5°
C17	C16	H16A	0.7°	109.5°
C17	C16	H16B	90.0°	109.5°
C16	C15	C14	90.0°	109.5°
C15	C16	H16A	90.0°	109.5°
C15	C16	H16B	90.0°	109.5°
C16	C15	H15A	90.0°	109.5°
C16	C15	H15B	90.0°	109.4°
C15	C14	C13	90.0°	109.5°
C14	C15	H15A	90.0°	109.5°
C14	C15	H15B	90.0°	109.5°
C15	C14	H14B	90.0°	109.5°
C15	C14	H14A	90.0°	109.5°
C14	C13	C12	90.0°	109.5°
C13	C14	H14B	90.0°	109.4°
C13	C14	H14A	90.0°	109.5°
C14	C13	H13A	90.0°	109.4°
C14	C13	H13B	90.0°	109.4°
C12	C13	H13A	90.0°	109.5°
C12	C13	H13B	90.0°	109.5°
C13	C12	H12C	90.0°	109.5°
C13	C12	H12A	90.0°	109.4°
C13	C12	H12B	90.0°	109.5°
H24A	C24	H24B	90.0°	109.5°
H24A	C24	H24C	90.0°	109.4°
H24B	C24	H24C	90.0°	109.5°
H16A	C16	H16B	90.0°	109.4°
H15A	C15	H15B	90.0°	109.5°
H14B	C14	H14A	90.0°	109.4°
H13A	C13	H13B	90.0°	109.4°
H12C	C12	H12A	90.0°	109.4°
H12C	C12	H12B	90.0°	109.5°
H12A	C12	H12B	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C01	C06	C02	118.1°	120.0°
O11	C01	C06	H01	118.5°	120.0°
O11	C01	C02	H01	121.2°	120.0°
O11	C01	C06	O12	72.6°	180.0°
O11	C01	C02	O10	78.4°	180.0°
O11	C01	C06	C05	163.5°	60.0°
O11	C01	C02	C03	164.9°	60.0°
O11	C01	C06	H06	47.3°	60.0°
O11	C01	C02	H02	42.7°	60.0°
C06	C01	C02	H01	123.4°	120.0°
C01	C06	O12	C05	124.6°	119.9°
C01	C06	O12	H06	118.9°	120.0°
C01	C06	O12	C17	175.8°	90.0°
C06	C01	C02	O10	166.3°	60.0°
C01	C06	C05	H06	116.3°	120.0°
C06	C01	C02	C03	49.6°	60.0°
C01	C06	C05	N07	78.7°	180.0°
C01	C06	C05	C04	44.8°	60.0°
C06	C01	C02	H02	72.7°	180.0°
C01	C06	C05	H05	163.6°	60.1°
C06	C01	O11	H11	180.0°	180.0°
C02	C01	C06	O12	169.3°	60.0°
C01	C02	O10	C03	120.8°	120.0°
C01	C02	O10	H02	119.5°	120.1°
C02	C01	C06	C05	45.3°	60.0°
C01	C02	C03	H02	122.0°	120.0°
C01	C02	C03	O09	172.0°	60.0°
C01	C02	C03	C04	50.6°	60.0°
C02	C01	C06	H06	70.9°	180.0°
C01	C02	C03	H03	67.9°	180.0°
C01	C02	O10	H10	180.0°	180.0°
C02	C01	O11	H11	56.4°	60.0°
O12	C06	C05	H06	117.7°	120.1°
O12	C06	C05	N07	47.3°	60.1°
O12	C06	C05	C04	170.8°	60.0°
C06	O12	C17	H17B	65.0°	60.0°
C06	O12	C17	H17A	138.4°	59.9°
O12	C06	C05	H05	70.4°	180.0°
O12	C06	C01	H01	45.9°	60.0°
C06	O12	C17	C16	36.7°	180.0°
C17	O12	C06	C05	51.2°	150.1°
O12	C17	H17B	H17A	159.5°	120.0°
O12	C17	H17B	C16	41.1°	120.0°
O12	C17	H17A	C16	41.1°	120.1°
C17	O12	C06	H06	65.4°	30.0°
O12	C17	C16	C15	90.0°	180.0°
O12	C17	C16	H16A	52.0°	59.9°
O12	C17	C16	H16B	90.0°	60.1°
O10	C02	C03	H02	120.9°	120.0°
O10	C02	C03	O09	70.9°	180.0°
O10	C02	C03	C04	167.7°	60.0°
O10	C02	C03	H03	49.3°	60.0°
O10	C02	C01	H01	42.9°	60.0°
C06	C05	N07	C04	128.3°	120.0°
C06	C05	N07	H05	117.6°	119.9°
C06	C05	C04	H05	118.7°	120.0°
C06	C05	C04	C03	48.8°	60.0°
C06	C05	N07	C19	131.2°	155.0°
C06	C05	C04	H04	71.8°	60.0°
C06	C05	C04	H04B	169.4°	180.0°
C05	C06	C01	H01	78.0°	180.0°
C06	C05	N07	H07	10.6°	31.0°
C02	C03	C04	C05	50.9°	60.0°
C02	C03	O09	C04	123.8°	120.0°
C02	C03	O09	H03	119.2°	120.0°
C02	C03	C04	H03	118.6°	120.0°
C02	C03	C04	H04	69.7°	60.0°
C02	C03	C04	H04B	171.5°	180.0°
C03	C02	C01	H01	73.8°	180.0°
C02	C03	O09	H09	180.0°	60.1°
C03	C02	O10	H10	59.2°	60.0°
N07	C05	C04	H05	114.0°	120.0°
N07	C05	C04	C03	78.5°	180.0°
C05	N07	C19	H07	120.6°	124.0°
C05	N07	C19	C20	67.4°	180.0°
C05	N07	C19	H19A	53.2°	60.1°
C05	N07	C19	H19B	172.0°	59.9°
N07	C05	C06	H06	165.0°	60.0°
N07	C05	C04	H04	160.9°	60.0°
N07	C05	C04	H04B	42.1°	60.0°
C05	C04	C03	O09	174.0°	60.0°
C05	C04	C03	H04	120.6°	120.0°
C05	C04	C03	H04B	120.6°	120.0°
C04	C05	N07	C19	100.5°	85.0°
C04	C05	C06	H06	71.5°	180.0°
C05	C04	C03	H03	67.7°	180.0°
C05	C04	H04	H04B	118.2°	120.0°
C04	C05	N07	H07	138.8°	151.0°
O09	C03	C04	H03	118.3°	120.0°
O09	C03	C02	H02	50.0°	60.0°
O09	C03	C04	H04	53.4°	179.9°
O09	C03	C04	H04B	65.4°	60.0°
C04	C03	C02	H02	71.4°	180.0°
C03	C04	H04	H04B	118.1°	120.1°
C03	C04	C05	H05	167.5°	60.0°
C04	C03	O09	H09	56.2°	180.0°
N07	C19	C20	H19A	120.6°	120.0°
N07	C19	C20	H19B	120.6°	120.1°
N07	C19	C20	C21	75.1°	180.0°
N07	C19	H19A	H19B	118.2°	120.1°
C19	N07	C05	H05	13.6°	35.1°
N07	C19	C20	H20A	163.9°	60.1°
N07	C19	C20	H20B	46.0°	60.0°
C19	C20	C21	H20A	121.0°	119.9°
C19	C20	C21	H20B	121.0°	120.0°
C19	C20	C21	C22	87.7°	180.0°
C19	C20	C21	H21A	151.2°	60.1°
C19	C20	C21	H21B	33.4°	60.0°
C20	C19	H19A	H19B	118.2°	120.0°
C19	C20	H20A	H20B	116.8°	120.0°
C20	C19	N07	H07	172.0°	56.0°
C20	C21	C22	C23	128.7°	180.0°
C20	C21	C22	H21A	121.1°	120.0°
C20	C21	C22	H21B	121.1°	120.0°
C20	C21	H21A	H21B	116.5°	120.1°
C20	C21	C22	H22B	111.0°	60.0°
C20	C21	C22	H22A	8.4°	60.0°
C21	C20	C19	H19A	45.5°	60.0°
C21	C20	C19	H19B	164.3°	59.9°
C21	C20	H20A	H20B	116.9°	120.0°
C23	C22	C21	H22B	120.3°	120.0°
C23	C22	C21	H22A	120.3°	120.0°
C23	C22	C21	H21A	110.1°	60.0°
C23	C22	C21	H21B	7.6°	60.0°
C22	C23	H23B	H23A	143.3°	120.0°
C22	C23	H23B	C24	73.4°	120.0°
C22	C23	H23A	C24	73.5°	120.0°
C23	C22	H22B	H22A	119.2°	120.0°
C22	C23	C24	H24A	109.8°	180.0°
C22	C23	C24	H24B	90.0°	60.0°
C22	C23	C24	H24C	90.0°	60.0°
C22	C21	H21A	H21B	116.5°	119.9°
C21	C22	C23	H23B	82.6°	60.0°
C21	C22	C23	H23A	137.8°	60.0°
C21	C22	H22B	H22A	119.2°	120.0°
C22	C21	C20	H20A	33.3°	60.0°
C22	C21	C20	H20B	151.3°	60.0°
C21	C22	C23	C24	27.6°	180.0°
H21A	C21	C22	H22B	10.2°	60.0°
H21A	C21	C22	H22A	129.6°	180.0°
H21A	C21	C20	H20A	87.8°	180.0°
H21A	C21	C20	H20B	30.2°	60.0°
H21B	C21	C22	H22B	127.9°	180.0°
H21B	C21	C22	H22A	112.7°	60.0°
H21B	C21	C20	H20A	154.4°	59.9°
H21B	C21	C20	H20B	87.6°	180.0°
H23B	C23	H23A	C24	143.3°	120.0°
H23B	C23	C22	H22B	157.1°	180.0°
H23B	C23	C22	H22A	37.7°	60.0°
H23B	C23	C24	H24A	0.4°	59.9°
H23B	C23	C24	H24B	90.0°	180.0°
H23B	C23	C24	H24C	90.0°	60.0°
H23A	C23	C22	H22B	17.5°	60.0°
H23A	C23	C22	H22A	101.9°	180.0°
H23A	C23	C24	H24A	140.0°	60.0°
H23A	C23	C24	H24B	90.0°	60.0°
H23A	C23	C24	H24C	90.0°	180.0°
H22B	C22	C23	C24	92.7°	60.0°
H22A	C22	C23	C24	147.9°	60.0°
H17B	C17	H17A	C16	159.5°	120.0°
H17B	C17	C16	C15	90.0°	60.0°
H17B	C17	C16	H16A	153.7°	60.0°
H17B	C17	C16	H16B	90.0°	180.0°
H17A	C17	C16	C15	90.0°	59.9°
H17A	C17	C16	H16A	49.7°	NaN°
H17A	C17	C16	H16B	90.0°	60.0°
H19A	C19	C20	H20A	75.5°	180.0°
H19A	C19	C20	H20B	166.5°	60.0°
H19A	C19	N07	H07	67.5°	63.9°
H19B	C19	C20	H20A	43.3°	60.0°
H19B	C19	C20	H20B	74.6°	180.0°
H19B	C19	N07	H07	51.4°	176.1°
H06	C06	C05	H05	47.3°	59.9°
H06	C06	C01	H01	165.8°	60.0°
H02	C02	C03	H03	170.2°	60.0°
H02	C02	C01	H01	163.9°	60.0°
H02	C02	O10	H10	60.5°	60.0°
H03	C03	C04	H04	171.7°	60.0°
H03	C03	C04	H04B	52.9°	60.0°
H03	C03	O09	H09	60.8°	59.9°
H04	C04	C05	H05	46.9°	180.0°
H04B	C04	C05	H05	71.9°	60.0°
H05	C05	N07	H07	107.1°	88.9°
H01	C01	O11	H11	63.2°	59.9°
C23	C24	H24A	H24B	90.0°	120.0°
C23	C24	H24A	H24C	90.0°	120.0°
C23	C24	H24B	H24C	90.0°	120.0°
C17	C16	C15	H16A	90.0°	120.1°
C17	C16	C15	H16B	90.0°	120.0°
C17	C16	C15	C14	90.0°	179.9°
C17	C16	H16A	H16B	90.0°	120.0°
C17	C16	C15	H15A	90.0°	60.1°
C17	C16	C15	H15B	90.0°	60.0°
C16	C15	C14	H15A	90.0°	120.0°
C16	C15	C14	H15B	90.0°	120.0°
C16	C15	C14	C13	90.0°	180.0°
C15	C16	H16A	H16B	90.0°	120.0°
C16	C15	H15A	H15B	90.0°	120.0°
C16	C15	C14	H14B	90.0°	60.0°
C16	C15	C14	H14A	90.0°	60.0°
C15	C14	C13	H14B	90.0°	120.0°
C15	C14	C13	H14A	90.0°	120.0°
C15	C14	C13	C12	90.0°	180.0°
C14	C15	C16	H16A	90.0°	60.0°
C14	C15	C16	H16B	90.0°	60.0°
C14	C15	H15A	H15B	90.0°	120.0°
C15	C14	H14B	H14A	90.0°	120.0°
C15	C14	C13	H13A	90.0°	60.0°
C15	C14	C13	H13B	90.0°	60.0°
C14	C13	C12	H13A	90.0°	120.0°
C14	C13	C12	H13B	90.0°	120.0°
C13	C14	C15	H15A	90.0°	60.0°
C13	C14	C15	H15B	90.0°	60.0°
C13	C14	H14B	H14A	90.0°	120.0°
C14	C13	H13A	H13B	90.0°	119.9°
C14	C13	C12	H12C	90.0°	60.0°
C14	C13	C12	H12A	90.0°	180.0°
C14	C13	C12	H12B	90.0°	60.0°
C12	C13	C14	H14B	90.0°	60.0°
C12	C13	C14	H14A	90.0°	60.0°
C12	C13	H13A	H13B	90.0°	120.0°
C13	C12	H12C	H12A	90.0°	119.9°
C13	C12	H12C	H12B	90.0°	120.0°
C13	C12	H12A	H12B	90.0°	120.0°
H24A	C24	H24B	H24C	90.0°	120.0°
H16A	C16	C15	H15A	90.0°	60.0°
H16A	C16	C15	H15B	90.0°	180.0°
H16B	C16	C15	H15A	90.0°	180.0°
H16B	C16	C15	H15B	90.0°	60.0°
H15A	C15	C14	H14B	90.0°	180.0°
H15A	C15	C14	H14A	90.0°	60.1°
H15B	C15	C14	H14B	90.0°	60.0°
H15B	C15	C14	H14A	90.0°	179.9°
H14B	C14	C13	H13A	90.0°	180.0°
H14B	C14	C13	H13B	90.0°	60.1°
H14A	C14	C13	H13A	90.0°	60.1°
H14A	C14	C13	H13B	90.0°	180.0°
H13A	C13	C12	H12C	90.0°	60.0°
H13A	C13	C12	H12A	90.0°	59.9°
H13A	C13	C12	H12B	90.0°	180.0°
H13B	C13	C12	H12C	90.0°	180.0°
H13B	C13	C12	H12A	90.0°	60.0°
H13B	C13	C12	H12B	90.0°	60.0°
H12C	C12	H12A	H12B	90.0°	120.0°

Release date:	2026-07-08
Definition date:	2024-12-15
Last modified:	2026-07-03
Release status:	REL
Processing site:	RCSB
Derived from:	9ELC