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Summary Geometry Related PDB entries

A1AW4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.23Å
C1	N1	sing	1.35Å	1.36Å
C1	C7	sing	1.51Å	1.48Å
N1	C2	sing	1.40Å	1.42Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C2	C6	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C4	N2	doub	1.32Å	1.34Å	Aromatic
N2	C5	sing	1.32Å	1.34Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
C7	C8	sing	1.53Å	1.51Å
C7	C9	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.47Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	123.1°	120.0°
O1	C1	C7	123.4°	120.0°
N1	C1	C7	113.5°	120.0°
C1	N1	C2	125.8°	120.0°
C1	N1	H1	117.1°	120.0°
C1	C7	C8	115.8°	117.5°
C1	C7	C9	114.6°	117.5°
C1	C7	H7	118.5°	115.5°
N1	C2	C3	115.5°	120.9°
N1	C2	C6	125.9°	120.8°
C2	N1	H1	117.1°	120.0°
C3	C2	C6	118.6°	118.3°
C2	C3	C4	118.5°	119.1°
C2	C3	H3	120.8°	120.4°
C2	C6	C5	118.7°	119.1°
C2	C6	H6	120.6°	120.5°
C3	C4	N2	123.8°	120.9°
C4	C3	H3	120.8°	120.5°
C3	C4	H4	118.1°	119.6°
C4	N2	C5	117.3°	121.9°
N2	C4	H4	118.1°	119.5°
N2	C5	C6	123.1°	120.8°
N2	C5	H5	118.4°	119.6°
C6	C5	H5	118.4°	119.6°
C5	C6	H6	120.6°	120.5°
C8	C7	C9	58.3°	60.0°
C7	C8	C9	60.7°	60.0°
C8	C7	H7	117.8°	117.5°
C7	C8	H83	119.9°	117.5°
C7	C8	H82	119.9°	117.5°
C7	C9	C8	61.0°	60.0°
C9	C7	H7	117.9°	117.5°
C7	C9	H92	119.9°	117.5°
C7	C9	H93	119.8°	117.4°
C9	C8	H83	119.9°	117.5°
C9	C8	H82	119.9°	117.5°
C8	C9	H92	119.8°	117.5°
C8	C9	H93	119.8°	117.5°
H83	C8	H82	109.5°	115.6°
H92	C9	H93	109.4°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C7	179.2°	179.8°
O1	C1	N1	C2	10.3°	5.1°
O1	C1	C7	C8	37.7°	0.2°
O1	C1	C7	C9	27.4°	68.4°
O1	C1	C7	H7	173.8°	146.0°
O1	C1	N1	H1	169.7°	174.9°
C1	N1	C2	H1	180.0°	180.0°
C1	N1	C2	C3	169.1°	147.4°
C1	N1	C2	C6	10.1°	32.8°
N1	C1	C7	C8	143.1°	180.0°
N1	C1	C7	C9	151.8°	111.4°
N1	C1	C7	H7	5.3°	34.2°
C7	C1	N1	C2	170.5°	174.7°
C1	C7	C8	C9	104.2°	107.4°
C1	C7	C8	H7	148.6°	145.1°
C1	C7	C9	H7	146.7°	144.9°
C1	C7	C8	H83	146.2°	145.1°
C1	C7	C8	H82	5.5°	0.0°
C1	C7	C9	H92	3.5°	0.0°
C1	C7	C9	H93	144.0°	145.0°
C7	C1	N1	H1	9.5°	5.3°
N1	C2	C3	C6	179.3°	179.8°
N1	C2	C3	C4	179.7°	179.7°
N1	C2	C6	C5	179.4°	179.7°
N1	C2	C3	H3	0.3°	0.2°
N1	C2	C6	H6	0.6°	0.2°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	N2	0.1°	0.1°
C3	C2	C6	C5	1.4°	0.0°
C2	C3	C4	H4	179.9°	180.0°
C3	C2	C6	H6	178.6°	180.0°
C3	C2	N1	H1	10.9°	32.6°
C6	C2	C3	C4	0.4°	0.1°
C2	C6	C5	N2	2.2°	0.1°
C2	C6	C5	H6	180.0°	180.0°
C6	C2	C3	H3	179.6°	180.0°
C2	C6	C5	H5	177.8°	180.0°
C6	C2	N1	H1	169.9°	147.2°
C3	C4	N2	H4	180.0°	179.9°
C3	C4	N2	C5	0.7°	0.1°
C4	N2	C5	C6	1.8°	0.1°
N2	C4	C3	H3	179.9°	179.9°
C4	N2	C5	H5	178.2°	180.0°
N2	C5	C6	H5	180.0°	180.0°
C5	N2	C4	H4	179.3°	180.0°
N2	C5	C6	H6	177.8°	180.0°
C8	C7	C9	H7	107.1°	107.5°
C7	C8	C9	H83	109.7°	107.4°
C7	C8	C9	H82	109.6°	107.5°
C7	C8	H83	H82	144.3°	145.7°
C8	C7	C9	H92	109.7°	107.5°
C8	C7	C9	H93	109.8°	107.5°
C7	C9	H92	H93	144.2°	145.6°
C9	C8	H83	H82	144.4°	145.7°
C8	C9	H92	H93	144.2°	145.7°
H3	C3	C4	H4	0.1°	0.0°
H5	C5	C6	H6	2.2°	0.0°
H7	C7	C8	H83	2.5°	0.0°
H7	C7	C8	H82	143.1°	145.1°
H7	C7	C9	H92	143.2°	144.9°
H7	C7	C9	H93	2.7°	0.0°
H83	C8	C9	H92	140.6°	145.1°
H83	C8	C9	H93	0.1°	0.0°
H82	C8	C9	H92	0.1°	0.0°
H82	C8	C9	H93	140.6°	145.1°

250059

PDB entries from 2026-03-04

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