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Summary Geometry Related PDB entries

2EC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C6	sing	1.38Å	1.47Å
C6	C5	sing	1.40Å	1.38Å	Aromatic
C6	N1	doub	1.33Å	1.34Å	Aromatic
C5	N7	sing	1.36Å	1.34Å	Aromatic
C5	C4	doub	1.40Å	1.38Å	Aromatic
N7	C8	doub	1.30Å	1.34Å	Aromatic
C4	N9	sing	1.37Å	1.34Å	Aromatic
C4	N3	sing	1.33Å	1.34Å	Aromatic
N9	C8	sing	1.36Å	1.34Å	Aromatic
N9	C9M	sing	1.46Å	1.47Å
C9M	C50	sing	1.53Å	1.51Å
N3	C2	doub	1.32Å	1.34Å	Aromatic
C2	N1	sing	1.32Å	1.34Å	Aromatic
N6	H61N	sing	0.97Å	1.00Å
N6	H62N	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å
C9M	H9M1	sing	1.09Å	1.10Å
C9M	H9M2	sing	1.09Å	1.10Å
C50	H501	sing	1.09Å	1.10Å
C50	H502	sing	1.09Å	1.10Å
C50	H503	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C6	C5	120.4°	120.8°
N6	C6	N1	120.4°	120.8°
C6	N6	H61N	109.5°	120.0°
C6	N6	H62N	109.5°	120.0°
C5	C6	N1	119.2°	118.5°
C6	C5	N7	133.3°	134.7°
C6	C5	C4	119.1°	118.2°
C6	N1	C2	120.5°	121.2°
N7	C5	C4	107.5°	107.1°
C5	N7	C8	108.0°	109.4°
C5	C4	N9	107.4°	106.0°
C5	C4	N3	119.6°	119.1°
N7	C8	N9	109.0°	110.0°
N7	C8	H8	125.5°	125.0°
N9	C4	N3	133.0°	134.9°
C4	N9	C8	108.1°	107.4°
C4	N9	C9M	126.0°	126.3°
C4	N3	C2	120.3°	120.7°
C8	N9	C9M	125.9°	126.2°
N9	C8	H8	125.5°	125.1°
N9	C9M	C50	109.5°	109.4°
N9	C9M	H9M1	109.5°	109.5°
N9	C9M	H9M2	109.4°	109.5°
C50	C9M	H9M1	109.4°	109.4°
C50	C9M	H9M2	109.4°	109.4°
C9M	C50	H501	109.5°	109.4°
C9M	C50	H502	109.5°	109.5°
C9M	C50	H503	109.4°	109.5°
N3	C2	N1	121.3°	122.4°
N3	C2	H2	119.4°	118.8°
N1	C2	H2	119.4°	118.7°
H61N	N6	H62N	109.5°	120.0°
H9M1	C9M	H9M2	109.5°	109.5°
H501	C50	H502	109.4°	109.5°
H501	C50	H503	109.5°	109.4°
H502	C50	H503	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C6	C5	N1	180.0°	179.8°
N6	C6	C5	N7	0.0°	0.0°
N6	C6	C5	C4	180.0°	179.9°
N6	C6	N1	C2	180.0°	179.7°
C6	N6	H61N	H62N	120.0°	179.8°
C6	C5	N7	C4	180.0°	180.0°
C6	C5	N7	C8	180.0°	180.0°
C6	C5	C4	N9	180.0°	180.0°
C6	C5	C4	N3	0.0°	0.1°
C5	C6	N1	C2	0.0°	0.5°
C5	C6	N6	H61N	180.0°	0.1°
C5	C6	N6	H62N	60.0°	179.7°
N1	C6	C5	N7	180.0°	179.8°
N1	C6	C5	C4	0.0°	0.3°
C6	N1	C2	N3	0.0°	0.5°
N1	C6	N6	H61N	0.0°	179.7°
N1	C6	N6	H62N	120.0°	0.5°
C6	N1	C2	H2	180.0°	179.7°
N7	C5	C4	N9	0.0°	0.0°
N7	C5	C4	N3	180.0°	179.9°
C5	N7	C8	N9	0.0°	0.0°
C5	N7	C8	H8	180.0°	180.0°
C4	C5	N7	C8	0.0°	0.0°
C5	C4	N9	N3	179.9°	179.9°
C5	C4	N9	C8	0.0°	0.0°
C5	C4	N9	C9M	180.0°	180.0°
C5	C4	N3	C2	0.0°	0.1°
N7	C8	N9	C4	0.0°	0.0°
N7	C8	N9	H8	180.0°	180.0°
N7	C8	N9	C9M	180.0°	180.0°
C4	N9	C8	C9M	180.0°	180.0°
C4	N9	C9M	C50	120.7°	85.0°
N9	C4	N3	C2	180.0°	180.0°
C4	N9	C8	H8	180.0°	180.0°
C4	N9	C9M	H9M1	119.3°	155.0°
C4	N9	C9M	H9M2	0.7°	35.0°
N3	C4	N9	C8	180.0°	179.9°
N3	C4	N9	C9M	0.1°	0.0°
C4	N3	C2	N1	0.0°	0.3°
C4	N3	C2	H2	180.0°	179.9°
C8	N9	C9M	C50	59.4°	95.0°
C8	N9	C9M	H9M1	60.6°	25.0°
C8	N9	C9M	H9M2	179.4°	145.0°
N9	C9M	C50	H9M1	120.0°	120.0°
N9	C9M	C50	H9M2	120.0°	120.0°
C9M	N9	C8	H8	0.0°	0.0°
N9	C9M	H9M1	H9M2	120.0°	120.1°
N9	C9M	C50	H501	180.0°	60.0°
N9	C9M	C50	H502	60.0°	60.0°
N9	C9M	C50	H503	60.0°	179.9°
C50	C9M	H9M1	H9M2	120.0°	119.9°
C9M	C50	H501	H502	120.0°	120.0°
C9M	C50	H501	H503	120.0°	119.9°
C9M	C50	H502	H503	120.0°	120.0°
N3	C2	N1	H2	180.0°	179.8°
H9M1	C9M	C50	H501	60.0°	180.0°
H9M1	C9M	C50	H502	180.0°	60.0°
H9M1	C9M	C50	H503	60.0°	60.1°
H9M2	C9M	C50	H501	60.0°	60.0°
H9M2	C9M	C50	H502	60.0°	180.0°
H9M2	C9M	C50	H503	180.0°	59.9°
H501	C50	H502	H503	120.0°	120.0°

222415

PDB entries from 2024-07-10

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