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Summary Geometry Related PDB entries

5QA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C7	doub	1.21Å	1.23Å
C	N	sing	1.47Å	1.46Å
C	C1	sing	1.51Å	1.52Å
C7	N	sing	1.35Å	1.34Å
C7	C8	sing	1.51Å	1.53Å
CL	C6	sing	1.74Å	1.73Å
C1	C6	doub	1.38Å	1.40Å	Aromatic
C1	C2	sing	1.38Å	1.42Å	Aromatic
C8	O	sing	1.43Å	1.41Å
CL1	C2	sing	1.74Å	1.74Å
C6	C5	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
O	H5	sing	0.97Å	0.95Å
N	H6	sing	0.97Å	1.00Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	N	123.9°	119.9°
O1	C7	C8	119.0°	120.1°
N	C	C1	110.0°	109.5°
C	N	C7	124.1°	120.0°
C	N	H6	118.0°	120.0°
N	C	H7	109.3°	109.4°
N	C	H8	109.3°	109.5°
C	C1	C6	121.9°	120.0°
C	C1	C2	122.8°	120.0°
C1	C	H7	109.3°	109.4°
C1	C	H8	109.3°	109.5°
N	C7	C8	117.0°	120.0°
C7	N	H6	117.9°	120.0°
C7	C8	O	110.6°	109.5°
C7	C8	H3	109.2°	109.5°
C7	C8	H4	109.2°	109.5°
CL	C6	C1	118.6°	120.1°
CL	C6	C5	118.4°	120.0°
C6	C1	C2	115.3°	120.0°
C1	C6	C5	123.0°	120.0°
C1	C2	CL1	120.5°	120.0°
C1	C2	C3	122.4°	120.0°
O	C8	H3	109.2°	109.5°
O	C8	H4	109.2°	109.5°
C8	O	H5	109.5°	114.0°
CL1	C2	C3	117.1°	120.0°
C6	C5	C4	119.4°	120.0°
C6	C5	H2	120.3°	120.0°
C2	C3	C4	119.5°	120.0°
C2	C3	H9	120.2°	120.0°
C5	C4	C3	120.4°	120.1°
C5	C4	H1	119.8°	119.9°
C4	C5	H2	120.3°	120.0°
C3	C4	H1	119.8°	120.0°
C4	C3	H9	120.3°	120.0°
H3	C8	H4	109.5°	109.4°
H7	C	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	N	C	14.5°	0.1°
O1	C7	N	C8	179.8°	179.9°
O1	C7	C8	O	155.1°	0.1°
O1	C7	C8	H3	34.9°	120.0°
O1	C7	C8	H4	84.8°	120.1°
O1	C7	N	H6	165.6°	179.9°
N	C	C1	H7	120.1°	119.9°
N	C	C1	H8	120.1°	120.0°
C	N	C7	H6	180.0°	180.0°
C	N	C7	C8	165.7°	180.0°
N	C	C1	C6	74.2°	90.0°
N	C	C1	C2	105.7°	90.0°
N	C	H7	H8	119.7°	120.0°
C1	C	N	C7	118.6°	180.0°
C	C1	C6	CL	1.8°	0.0°
C	C1	C6	C2	179.8°	180.0°
C	C1	C2	CL1	1.3°	0.1°
C	C1	C6	C5	179.4°	180.0°
C	C1	C2	C3	179.6°	179.8°
C1	C	N	H6	61.4°	0.0°
C1	C	H7	H8	119.7°	120.0°
N	C7	C8	O	25.1°	180.0°
N	C7	C8	H3	145.3°	60.0°
N	C7	C8	H4	95.1°	60.0°
C7	N	C	H7	121.3°	60.1°
C7	N	C	H8	1.5°	60.0°
C7	C8	O	H3	120.2°	120.0°
C7	C8	O	H4	120.2°	120.0°
C7	C8	H3	H4	119.4°	120.0°
C7	C8	O	H5	180.0°	180.0°
C8	C7	N	H6	14.3°	0.0°
CL	C6	C1	C5	178.9°	180.0°
CL	C6	C1	C2	178.1°	180.0°
CL	C6	C5	C4	178.3°	180.0°
CL	C6	C5	H2	1.7°	0.0°
C6	C1	C2	CL1	178.6°	180.0°
C6	C1	C2	C3	0.6°	0.2°
C1	C6	C5	C4	0.6°	0.0°
C1	C6	C5	H2	179.4°	180.0°
C6	C1	C	H7	165.8°	29.9°
C6	C1	C	H8	46.0°	150.0°
C1	C2	CL1	C3	179.2°	179.8°
C2	C1	C6	C5	0.8°	0.0°
C1	C2	C3	C4	0.1°	0.4°
C2	C1	C	H7	14.4°	150.1°
C2	C1	C	H8	134.2°	30.0°
C1	C2	C3	H9	179.9°	179.8°
O	C8	H3	H4	119.5°	120.0°
CL1	C2	C3	C4	179.0°	179.8°
CL1	C2	C3	H9	1.0°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	C3	0.1°	0.2°
C6	C5	C4	H1	179.9°	180.0°
C2	C3	C4	C5	0.1°	0.5°
C2	C3	C4	H9	180.0°	179.8°
C2	C3	C4	H1	179.9°	179.8°
C5	C4	C3	H1	180.0°	179.8°
C5	C4	C3	H9	179.9°	179.7°
C3	C4	C5	H2	179.9°	179.7°
H1	C4	C5	H2	0.1°	0.0°
H1	C4	C3	H9	0.1°	0.0°
H3	C8	O	H5	59.8°	60.0°
H4	C8	O	H5	59.8°	60.0°
H6	N	C	H7	58.7°	119.9°
H6	N	C	H8	178.5°	120.0°

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PDB entries from 2024-10-02

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