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Summary Geometry Related PDB entries

A1BFQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.49Å
C2	N1	doub	1.30Å	1.32Å	Aromatic
N1	N2	sing	1.40Å	1.37Å	Aromatic
N2	C3	sing	1.46Å	1.45Å
N2	C4	sing	1.37Å	1.36Å	Aromatic
C4	C5	doub	1.40Å	1.41Å	Aromatic
C5	O1	sing	1.36Å	1.33Å
C5	N3	sing	1.32Å	1.32Å	Aromatic
N3	N4	doub	1.28Å	1.36Å	Aromatic
N4	C6	sing	1.32Å	1.32Å	Aromatic
C6	C7	doub	1.40Å	1.39Å	Aromatic
C2	C7	sing	1.41Å	1.42Å	Aromatic
C4	C7	sing	1.41Å	1.40Å	Aromatic
C6	H8	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O1	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N1	121.6°	125.7°
C1	C2	C7	128.4°	125.7°
C2	C1	H3	109.5°	109.5°
C2	C1	H2	109.5°	109.4°
C2	C1	H1	109.5°	109.4°
C2	N1	N2	107.2°	109.8°
N1	C2	C7	109.9°	108.6°
N1	N2	C3	120.7°	125.9°
N1	N2	C4	110.8°	108.1°
C3	N2	C4	128.5°	126.0°
N2	C3	H6	109.5°	109.5°
N2	C3	H4	109.5°	109.5°
N2	C3	H5	109.5°	109.5°
N2	C4	C5	134.9°	135.6°
N2	C4	C7	106.5°	106.6°
C4	C5	O1	122.0°	120.4°
C4	C5	N3	120.0°	119.2°
C5	C4	C7	118.5°	117.8°
O1	C5	N3	118.0°	120.5°
C5	O1	H7	109.5°	114.0°
C5	N3	N4	120.8°	123.0°
N3	N4	C6	121.9°	123.0°
N4	C6	C7	120.3°	119.3°
N4	C6	H8	119.8°	120.3°
C6	C7	C2	136.0°	135.3°
C6	C7	C4	118.5°	117.8°
C7	C6	H8	119.9°	120.4°
C2	C7	C4	105.5°	107.0°
H3	C1	H2	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H2	C1	H1	109.4°	109.5°
H6	C3	H4	109.5°	109.4°
H6	C3	H5	109.4°	109.5°
H4	C3	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N1	C7	179.1°	180.0°
C1	C2	N1	N2	179.5°	180.0°
C1	C2	C7	C6	0.5°	0.1°
C1	C2	C7	C4	179.8°	180.0°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	N1	N2	C3	178.9°	180.0°
C2	N1	N2	C4	0.2°	0.0°
N1	C2	C7	C6	179.6°	180.0°
N1	C2	C7	C4	0.8°	0.0°
N1	C2	C1	H3	0.0°	90.0°
N1	C2	C1	H2	120.0°	150.0°
N1	C2	C1	H1	120.0°	30.0°
N1	N2	C3	C4	178.4°	180.0°
N1	N2	C4	C5	179.0°	180.0°
N2	N1	C2	C7	0.3°	0.0°
N1	N2	C4	C7	0.7°	0.0°
N1	N2	C3	H6	0.0°	90.1°
N1	N2	C3	H4	120.0°	150.0°
N1	N2	C3	H5	120.0°	29.9°
C3	N2	C4	C5	2.4°	0.0°
C3	N2	C4	C7	179.3°	180.0°
N2	C3	H6	H4	120.0°	120.0°
N2	C3	H6	H5	120.0°	120.0°
N2	C3	H4	H5	120.0°	120.0°
N2	C4	C5	C7	178.1°	180.0°
N2	C4	C5	O1	1.2°	0.0°
N2	C4	C5	N3	179.1°	180.0°
N2	C4	C7	C6	179.4°	180.0°
N2	C4	C7	C2	0.9°	0.0°
C4	N2	C3	H6	178.5°	89.9°
C4	N2	C3	H4	58.4°	30.0°
C4	N2	C3	H5	61.6°	150.1°
C4	C5	O1	N3	179.7°	180.0°
C4	C5	N3	N4	0.5°	0.0°
C5	C4	C7	C6	0.8°	0.0°
C5	C4	C7	C2	179.5°	180.0°
C4	C5	O1	H7	179.7°	90.0°
O1	C5	N3	N4	179.8°	180.0°
O1	C5	C4	C7	179.3°	180.0°
C5	N3	N4	C6	0.1°	0.0°
N3	C5	C4	C7	0.9°	0.0°
N3	C5	O1	H7	0.0°	90.0°
N3	N4	C6	C7	0.3°	0.0°
N3	N4	C6	H8	179.7°	179.9°
N4	C6	C7	H8	180.0°	179.9°
N4	C6	C7	C2	179.8°	180.0°
N4	C6	C7	C4	0.2°	0.0°
C6	C7	C2	C4	179.6°	180.0°
C2	C7	C6	H8	0.2°	0.1°
C7	C2	C1	H3	179.0°	90.0°
C7	C2	C1	H2	58.9°	30.0°
C7	C2	C1	H1	61.0°	150.0°
C4	C7	C6	H8	179.8°	179.9°
H3	C1	H2	H1	120.0°	120.0°
H6	C3	H4	H5	120.0°	120.0°

250359

PDB entries from 2026-03-11

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