Summary Geometry PCM/PTM Related PDB entries

A1BLU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C01	sing	1.43Å	1.41Å
O10	C02	sing	1.43Å	1.41Å
C01	C02	sing	1.53Å	1.54Å
C01	C06	sing	1.53Å	1.54Å
O12	C06	sing	1.43Å	1.40Å
C02	C03	sing	1.53Å	1.54Å
C06	C05	sing	1.53Å	1.54Å
C03	O09	sing	1.43Å	1.41Å
C03	C04	sing	1.53Å	1.54Å
C05	N07	sing	1.47Å	1.46Å
C05	C04	sing	1.53Å	1.53Å
N07	C19	sing	1.47Å	1.45Å
C19	C20	sing	1.53Å	1.53Å
C01	H1	sing	1.09Å	1.10Å
C02	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C04	H4A	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C06	H6	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.07Å
N07	H7	sing	1.01Å	1.00Å
O09	H9	sing	0.97Å	0.95Å
O10	H10	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O12	H12	sing	0.97Å	0.95Å
C21	C22	sing	1.53Å	77.66Å
C22	C23	sing	1.53Å	0.00Å
C23	C24	sing	1.53Å	0.00Å
C24	C25	sing	1.53Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C21	H21A	sing	1.09Å	1.10Å
C21	H21B	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	0.00Å
C22	H22B	sing	1.09Å	0.00Å
C23	H23B	sing	1.09Å	0.00Å
C23	H23A	sing	1.09Å	0.00Å
C24	H24B	sing	1.09Å	0.00Å
C24	H24A	sing	1.09Å	0.00Å
C25	H25A	sing	1.09Å	0.00Å
C25	H25B	sing	1.09Å	0.00Å
C26	H26A	sing	1.09Å	0.00Å
C26	H26B	sing	1.09Å	0.00Å
C26	H26C	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C01	C02	109.8°	109.5°
O11	C01	C06	108.3°	109.5°
O11	C01	H1	110.2°	109.5°
C01	O11	H11	109.5°	114.0°
O10	C02	C01	110.6°	109.5°
O10	C02	C03	110.0°	109.4°
O10	C02	H2	109.9°	109.5°
C02	O10	H10	109.5°	114.0°
C02	C01	C06	111.8°	109.5°
C01	C02	C03	110.1°	109.5°
C02	C01	H1	108.3°	109.4°
C01	C02	H2	108.1°	109.5°
C01	C06	O12	108.7°	109.4°
C01	C06	C05	112.7°	109.5°
C06	C01	H1	108.4°	109.5°
C01	C06	H6	108.3°	109.5°
O12	C06	C05	108.8°	109.5°
O12	C06	H6	110.1°	109.5°
C06	O12	H12	109.5°	114.0°
C02	C03	O09	110.7°	109.5°
C02	C03	C04	110.1°	109.5°
C03	C02	H2	108.1°	109.5°
C02	C03	H3	107.8°	109.5°
C06	C05	N07	109.0°	109.5°
C06	C05	C04	111.3°	109.5°
C06	C05	H5	108.9°	109.5°
C05	C06	H6	108.3°	109.5°
O09	C03	C04	110.9°	109.5°
O09	C03	H3	109.5°	109.5°
C03	O09	H9	109.5°	114.1°
C03	C04	C05	110.4°	109.4°
C04	C03	H3	107.8°	109.4°
C03	C04	H4	109.2°	109.4°
C03	C04	H4A	109.3°	109.5°
N07	C05	C04	108.6°	109.4°
C05	N07	C19	109.8°	111.0°
N07	C05	H5	110.0°	109.4°
C05	N07	H7	109.4°	110.9°
C05	C04	H4	109.3°	109.5°
C05	C04	H4A	109.3°	109.5°
C04	C05	H5	109.0°	109.4°
N07	C19	C20	111.1°	109.5°
N07	C19	H19B	109.1°	109.5°
N07	C19	H19A	109.1°	109.5°
C19	N07	H7	109.4°	111.0°
C20	C19	H19B	109.0°	109.5°
C20	C19	H19A	109.0°	109.4°
C19	C20	H20A	109.6°	109.4°
C19	C20	H20B	109.5°	109.5°
C19	C20	C21	109.2°	109.5°
H4	C04	H4A	109.5°	109.5°
H19B	C19	H19A	109.5°	109.5°
H20A	C20	H20B	109.5°	109.4°
H20A	C20	C21	109.5°	109.5°
H20B	C20	C21	109.6°	109.4°
C20	C21	C22	19.7°	109.5°
C20	C21	H21A	124.7°	109.5°
C20	C21	H21B	124.6°	109.5°
C21	C22	C23	90.0°	109.4°
C22	C21	H21A	124.7°	109.5°
C22	C21	H21B	124.6°	109.4°
C21	C22	H22A	90.0°	109.5°
C21	C22	H22B	90.0°	109.5°
C22	C23	C24	90.0°	109.4°
C23	C22	H22A	90.0°	109.4°
C23	C22	H22B	90.0°	109.5°
C22	C23	H23B	90.0°	109.5°
C22	C23	H23A	90.0°	109.5°
C23	C24	C25	90.0°	109.5°
C24	C23	H23B	90.0°	109.5°
C24	C23	H23A	90.0°	109.4°
C23	C24	H24B	90.0°	109.5°
C23	C24	H24A	90.0°	109.5°
C24	C25	C26	90.0°	109.5°
C25	C24	H24B	90.0°	109.4°
C25	C24	H24A	90.0°	109.4°
C24	C25	H25A	90.0°	109.5°
C24	C25	H25B	90.0°	109.5°
C26	C25	H25A	90.0°	109.5°
C26	C25	H25B	90.0°	109.4°
C25	C26	H26A	90.0°	109.4°
C25	C26	H26B	90.0°	109.5°
C25	C26	H26C	90.0°	109.5°
H21A	C21	H21B	109.5°	109.5°
H22A	C22	H22B	90.0°	109.5°
H23B	C23	H23A	90.0°	109.6°
H24B	C24	H24A	90.0°	109.4°
H25A	C25	H25B	90.0°	109.5°
H26A	C26	H26B	90.0°	109.5°
H26A	C26	H26C	90.0°	109.5°
H26B	C26	H26C	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C01	C02	O10	63.2°	179.9°
O11	C01	C02	C06	120.3°	120.0°
O11	C01	C02	H1	120.4°	120.0°
O11	C01	C06	H1	119.5°	120.1°
O11	C01	C06	O12	66.7°	180.0°
O11	C01	C02	C03	175.0°	60.0°
O11	C01	C06	C05	172.6°	60.0°
O11	C01	C02	H2	57.1°	60.0°
O11	C01	C06	H6	52.8°	60.1°
O10	C02	C01	C03	121.8°	119.9°
O10	C02	C01	H2	120.3°	120.0°
O10	C02	C01	C06	176.6°	60.0°
O10	C02	C03	H2	120.0°	120.0°
O10	C02	C03	O09	55.6°	180.0°
O10	C02	C03	C04	178.5°	60.0°
O10	C02	C01	H1	57.2°	60.1°
O10	C02	C03	H3	64.2°	60.0°
C02	C01	C06	H1	119.3°	120.0°
C02	C01	C06	O12	172.1°	60.0°
C01	C02	C03	H2	117.9°	120.1°
C02	C01	C06	C05	51.4°	60.0°
C01	C02	C03	O09	177.7°	60.1°
C01	C02	C03	C04	59.3°	60.0°
C01	C02	C03	H3	58.0°	180.0°
C02	C01	C06	H6	68.3°	180.0°
C01	C02	O10	H10	180.0°	180.0°
C02	C01	O11	H11	180.0°	60.0°
C01	C06	O12	C05	123.1°	120.0°
C01	C06	O12	H6	118.4°	120.0°
C06	C01	C02	C03	54.8°	60.0°
C01	C06	C05	H6	119.7°	120.0°
C01	C06	C05	N07	67.9°	180.0°
C01	C06	C05	C04	51.9°	60.0°
C06	C01	C02	H2	63.1°	180.0°
C01	C06	C05	H5	172.1°	60.0°
C06	C01	O11	H11	57.6°	180.0°
C01	C06	O12	H12	180.0°	60.1°
O12	C06	C05	H6	119.6°	120.0°
O12	C06	C05	N07	52.8°	60.0°
O12	C06	C05	C04	172.6°	60.0°
O12	C06	C01	H1	52.8°	60.0°
O12	C06	C05	H5	67.2°	180.0°
C02	C03	O09	C04	122.5°	120.0°
C02	C03	O09	H3	118.7°	120.0°
C02	C03	C04	H3	117.3°	120.0°
C02	C03	C04	C05	60.3°	60.0°
C03	C02	C01	H1	64.6°	180.0°
C02	C03	C04	H4	179.6°	60.0°
C02	C03	C04	H4A	59.9°	180.0°
C02	C03	O09	H9	180.0°	60.0°
C03	C02	O10	H10	58.1°	60.1°
C06	C05	C04	C03	56.1°	60.0°
C06	C05	N07	C04	121.5°	120.0°
C06	C05	N07	H5	119.3°	120.1°
C06	C05	C04	H5	120.1°	120.1°
C06	C05	N07	C19	158.0°	155.0°
C05	C06	C01	H1	67.9°	180.0°
C06	C05	C04	H4	176.3°	60.0°
C06	C05	C04	H4A	64.0°	180.0°
C06	C05	N07	H7	38.0°	31.0°
C05	C06	O12	H12	56.9°	180.0°
O09	C03	C04	H3	119.8°	120.0°
O09	C03	C04	C05	176.9°	60.0°
O09	C03	C02	H2	64.4°	60.0°
O09	C03	C04	H4	56.7°	180.0°
O09	C03	C04	H4A	63.0°	60.0°
C03	C04	C05	N07	63.9°	180.0°
C03	C04	C05	H4	120.1°	119.9°
C03	C04	C05	H4A	120.1°	120.0°
C04	C03	C02	H2	58.6°	180.0°
C03	C04	H4	H4A	119.6°	120.0°
C03	C04	C05	H5	176.2°	60.1°
C04	C03	O09	H9	57.5°	180.0°
N07	C05	C04	H5	119.8°	119.9°
C05	N07	C19	H7	120.1°	123.9°
C05	N07	C19	C20	174.0°	180.0°
N07	C05	C04	H4	56.2°	60.1°
N07	C05	C04	H4A	175.9°	60.0°
N07	C05	C06	H6	172.4°	60.0°
C05	N07	C19	H19B	53.8°	60.0°
C05	N07	C19	H19A	65.7°	60.0°
C04	C05	N07	C19	80.5°	85.0°
C05	C04	C03	H3	57.0°	180.0°
C05	C04	H4	H4A	119.6°	120.1°
C04	C05	C06	H6	67.8°	180.0°
C04	C05	N07	H7	159.5°	151.0°
N07	C19	C20	H19B	120.3°	120.1°
N07	C19	C20	H19A	120.3°	120.0°
C19	N07	C05	H5	38.7°	34.9°
N07	C19	H19B	H19A	119.3°	120.0°
N07	C19	C20	H20A	178.0°	60.0°
N07	C19	C20	H20B	61.9°	60.0°
N07	C19	C20	C21	58.1°	180.0°
C20	C19	H19B	H19A	119.2°	120.0°
C19	C20	H20A	H20B	120.1°	120.0°
C19	C20	H20A	C21	119.8°	120.0°
C19	C20	H20B	C21	119.8°	120.0°
C20	C19	N07	H7	65.9°	56.1°
C19	C20	C21	C22	150.0°	180.0°
C19	C20	C21	H21A	53.1°	60.0°
C19	C20	C21	H21B	113.1°	60.0°
H1	C01	C02	H2	177.5°	60.0°
H1	C01	C06	H6	172.3°	60.0°
H1	C01	O11	H11	60.8°	59.9°
H2	C02	C03	H3	175.9°	60.0°
H2	C02	O10	H10	60.8°	59.9°
H3	C03	C04	H4	63.1°	60.0°
H3	C03	C04	H4A	177.2°	60.0°
H3	C03	O09	H9	61.3°	60.0°
H4	C04	C05	H5	63.6°	180.0°
H4A	C04	C05	H5	56.1°	60.0°
H5	C05	C06	H6	52.4°	60.0°
H5	C05	N07	H7	81.3°	89.0°
H6	C06	O12	H12	61.6°	59.9°
H19B	C19	C20	H20A	57.8°	60.0°
H19B	C19	C20	H20B	177.8°	180.0°
H19B	C19	C20	C21	62.2°	60.0°
H19B	C19	N07	H7	173.9°	63.9°
H19A	C19	C20	H20A	61.7°	180.0°
H19A	C19	C20	H20B	58.4°	60.0°
H19A	C19	C20	C21	178.3°	60.0°
H19A	C19	N07	H7	54.4°	176.1°
H20A	C20	H20B	C21	120.1°	120.0°
H20A	C20	C21	C22	90.0°	60.0°
H20A	C20	C21	H21A	173.1°	180.0°
H20A	C20	C21	H21B	6.8°	60.0°
H20B	C20	C21	C22	30.0°	60.0°
H20B	C20	C21	H21A	66.8°	60.0°
H20B	C20	C21	H21B	126.9°	179.9°
C20	C21	C22	H21A	96.9°	120.0°
C20	C21	C22	H21B	96.9°	120.0°
C20	C21	C22	C23	90.0°	180.0°
C20	C21	H21A	H21B	168.0°	120.0°
C20	C21	C22	H22A	90.0°	60.0°
C20	C21	C22	H22B	90.0°	60.0°
C21	C22	C23	H22A	90.0°	120.0°
C21	C22	C23	H22B	90.0°	120.0°
C21	C22	C23	C24	90.0°	180.0°
C22	C21	H21A	H21B	168.0°	120.0°
C21	C22	H22A	H22B	90.0°	120.1°
C21	C22	C23	H23B	90.0°	60.0°
C21	C22	C23	H23A	90.0°	60.1°
C22	C23	C24	H23B	90.0°	120.0°
C22	C23	C24	H23A	90.0°	119.9°
C22	C23	C24	C25	90.0°	180.0°
C23	C22	C21	H21A	90.0°	60.0°
C23	C22	C21	H21B	90.0°	60.0°
C23	C22	H22A	H22B	90.0°	120.0°
C22	C23	H23B	H23A	90.0°	120.0°
C22	C23	C24	H24B	90.0°	60.0°
C22	C23	C24	H24A	90.0°	60.0°
C23	C24	C25	H24B	90.0°	120.1°
C23	C24	C25	H24A	90.0°	120.0°
C23	C24	C25	C26	90.0°	180.0°
C24	C23	C22	H22A	90.0°	60.0°
C24	C23	C22	H22B	90.0°	60.0°
C24	C23	H23B	H23A	90.0°	120.0°
C23	C24	H24B	H24A	90.0°	120.1°
C23	C24	C25	H25A	90.0°	60.0°
C23	C24	C25	H25B	90.0°	60.0°
C24	C25	C26	H25A	90.0°	120.0°
C24	C25	C26	H25B	90.0°	120.0°
C25	C24	C23	H23B	90.0°	60.0°
C25	C24	C23	H23A	90.0°	60.1°
C25	C24	H24B	H24A	90.0°	119.9°
C24	C25	H25A	H25B	90.0°	120.0°
C24	C25	C26	H26A	90.0°	60.0°
C24	C25	C26	H26B	90.0°	180.0°
C24	C25	C26	H26C	90.0°	60.0°
C26	C25	C24	H24B	90.0°	59.9°
C26	C25	C24	H24A	90.0°	60.0°
C26	C25	H25A	H25B	90.0°	119.9°
C25	C26	H26A	H26B	90.0°	120.0°
C25	C26	H26A	H26C	90.0°	120.0°
C25	C26	H26B	H26C	90.0°	120.0°
H21A	C21	C22	H22A	90.0°	179.9°
H21A	C21	C22	H22B	90.0°	60.0°
H21B	C21	C22	H22A	90.0°	59.9°
H21B	C21	C22	H22B	90.0°	180.0°
H22A	C22	C23	H23B	90.0°	180.0°
H22A	C22	C23	H23A	90.0°	59.9°
H22B	C22	C23	H23B	90.0°	60.0°
H22B	C22	C23	H23A	90.0°	179.9°
H23B	C23	C24	H24B	90.0°	180.0°
H23B	C23	C24	H24A	90.0°	60.0°
H23A	C23	C24	H24B	90.0°	59.9°
H23A	C23	C24	H24A	90.0°	180.0°
H24B	C24	C25	H25A	90.0°	180.0°
H24B	C24	C25	H25B	90.0°	60.0°
H24A	C24	C25	H25A	90.0°	60.0°
H24A	C24	C25	H25B	90.0°	180.0°
H25A	C25	C26	H26A	90.0°	60.0°
H25A	C25	C26	H26B	90.0°	60.0°
H25A	C25	C26	H26C	90.0°	180.0°
H25B	C25	C26	H26A	90.0°	180.0°
H25B	C25	C26	H26B	90.0°	60.0°
H25B	C25	C26	H26C	90.0°	60.0°
H26A	C26	H26B	H26C	90.0°	120.0°

Release date:	2026-07-08
Definition date:	2024-12-16
Last modified:	2026-07-03
Release status:	REL
Processing site:	RCSB
Derived from:	9ELB